*HEADER    OXIDOREDUCTASE                          20-JUN-08   2K4W              
*TITLE     THE SOLUTION STRUCTURE OF THE MONOMERIC COPPER, ZINC                  
*TITLE    2 SUPEROXIDE DISMUTASE FROM SALMONELLA ENTERICA                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN];                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: C2SOD;                                                      
*COMPND   5 EC: 1.15.1.1;                                                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA             
*SOURCE   3 SEROVAR CHOLERAESUIS;                                                
*SOURCE   4 GENE: SODC2;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PSE420                                     
*KEYWDS    SUPEROXIDE DISMUTASE, SOLUTION STRUCTURES, NMR,                       
*KEYWDS   2 METALLOENZYMES, BIOINORGANIC CHEMISTRY, COPPER, METAL-               
*KEYWDS   3 BINDING, OXIDOREDUCTASE, ZINC, STRUCTURAL GENOMICS, NPPSFA,          
*KEYWDS   4 NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL                
*KEYWDS   5 ANALYSES, STRUCTURAL PROTEOMICS IN EUROPE, SPINE                     
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    M.MORI, B.JIMENEZ, M.PICCIOLI, A.BATTISTONI, M.SETTE,                 
*AUTHOR   2 STRUCTURAL PROTEOMICS IN EUROPE (SPINE)                              
*REVDAT   1   18-NOV-08 2K4W    0                                                


#
#   1 ALA  HA      2 SER  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  14, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 &end
#
#   1 ALA  HA      2 SER  HN       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  14, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   1 ALA  HA      2 SER  HN       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  14, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   1 ALA  HA      2 SER  HN       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  14, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   1 ALA  HA      2 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  16, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   1 ALA  HA      2 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  16, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   1 ALA  HA      2 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  16, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   1 ALA  HA    117 LEU  QD2      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2=1652,1653,1654,
 &end
#
#   1 ALA  HA    117 LEU  QD2      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2=1652,1653,1654,
 &end
#
#   1 ALA  HA    117 LEU  QD2      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2=1652,1653,1654,
 &end
#
#   1 ALA  QB      2 SER  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      1 ALA  HA       3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HN       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HN       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HN       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HA       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HA       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HA       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  18, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  18, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  18, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  19, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  19, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB      2 SER  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  19, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB     26 GLU  HN       5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB     26 GLU  HN       5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB     26 GLU  HN       5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=   8,   9,  10,
 &end
#
#   1 ALA  QB    117 LEU  QD2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=   8,   9,  10,
 igr2=1652,1653,1654,
 &end
#
#   1 ALA  QB    117 LEU  QD2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=   8,   9,  10,
 igr2=1652,1653,1654,
 &end
#
#   1 ALA  QB    117 LEU  QD2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=   8,   9,  10,
 igr2=1652,1653,1654,
 &end
#
#   2 SER  HN      2 SER  HA       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  16, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   2 SER  HN      2 SER  HB2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  18, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   2 SER  HN      2 SER  HB2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  18, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   2 SER  HN      2 SER  HB2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  18, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   2 SER  HN      2 SER  HB3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  19, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   2 SER  HN      2 SER  HB3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  19, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   2 SER  HN      2 SER  HB3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  19, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   2 SER  HN      3 GLU  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  25, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   2 SER  HN      3 GLU  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  25, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   2 SER  HN      3 GLU  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  25, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   2 SER  HN      3 GLU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  25, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   2 SER  HN     25 ASP  HA       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  14, 343, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   2 SER  HN     25 ASP  HA       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  14, 343, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   2 SER  HN     25 ASP  HA       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  14, 343, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   2 SER  HN     26 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  14, 353, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HN     26 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  14, 353, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HN     26 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  14, 353, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HN    117 LEU  QD2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1652,1653,1654,
 &end
#
#   2 SER  HN    117 LEU  QD2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1652,1653,1654,
 &end
#
#   2 SER  HN    117 LEU  QD2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1652,1653,1654,
 &end
#
#   2 SER  HA      2 SER  HB2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  18, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   2 SER  HA      2 SER  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  19, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   2 SER  HA      3 GLU  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  25, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   2 SER  HA      3 GLU  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  25, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   2 SER  HA      3 GLU  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  25, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   2 SER  HA      3 GLU  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  25, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   2 SER  HA      3 GLU  HA       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  27, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#   2 SER  HA      3 GLU  HA       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  27, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#   2 SER  HA      3 GLU  HA       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  27, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#   2 SER  HA      3 GLU  HB2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  29, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   2 SER  HA      3 GLU  HB2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  29, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   2 SER  HA      3 GLU  HB2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  29, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   2 SER  HA      3 GLU  HB3      5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  30, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   2 SER  HA      3 GLU  HB3      5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  30, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   2 SER  HA      3 GLU  HB3      5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  30, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   2 SER  HA      4 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  40, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HA      4 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  40, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HA      4 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  40, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HA     24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 322, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HA     24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 322, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HA     24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 322, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HA     24 ILE  HB       5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 326, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#   2 SER  HA     24 ILE  HB       5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 326, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#   2 SER  HA     24 ILE  HB       5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 326, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#   2 SER  HA     24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#   2 SER  HA     24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#   2 SER  HA     24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#   2 SER  HA     25 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 341, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HA     25 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 341, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HA     25 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 341, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HA     25 ASP  HA       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 343, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   2 SER  HA     25 ASP  HA       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 343, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   2 SER  HA     25 ASP  HA       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 343, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   2 SER  HA     25 ASP  HB3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 346, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   2 SER  HA     25 ASP  HB3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 346, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   2 SER  HA     25 ASP  HB3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 346, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   2 SER  HA     26 GLU  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 353, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   2 SER  HA     26 GLU  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 353, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   2 SER  HA     26 GLU  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 353, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   2 SER  HA    117 LEU  QD2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1652,1653,1654,
 &end
#
#   2 SER  HA    117 LEU  QD2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1652,1653,1654,
 &end
#
#   2 SER  HA    117 LEU  QD2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1652,1653,1654,
 &end
#
#   2 SER  HB2     3 GLU  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  25, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   2 SER  HB2     3 GLU  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  25, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   2 SER  HB2     3 GLU  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  25, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   2 SER  HB2     3 GLU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  25, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#   2 SER  HB2    23 VAL  QG2      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2= 316, 317, 318,
 &end
#
#   2 SER  HB2    23 VAL  QG2      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2= 316, 317, 318,
 &end
#
#   2 SER  HB2    23 VAL  QG2      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2= 316, 317, 318,
 &end
#
#   2 SER  HB2    25 ASP  HA       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 343, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   2 SER  HB2    25 ASP  HA       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 343, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   2 SER  HB2    25 ASP  HA       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 343, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   2 SER  HB3     3 GLU  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  25, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#   2 SER  HB3     3 GLU  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  25, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#   2 SER  HB3     3 GLU  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  25, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#   2 SER  HB3     3 GLU  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  27, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   2 SER  HB3     3 GLU  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  27, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   2 SER  HB3     3 GLU  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  27, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   2 SER  HB3     4 LYS  QB       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2=  44,  45,
 &end
#
#   2 SER  HB3     4 LYS  QB       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2=  44,  45,
 &end
#
#   2 SER  HB3     4 LYS  QB       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2=  44,  45,
 &end
#
#   2 SER  HB3    23 VAL  QG2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 316, 317, 318,
 &end
#
#   2 SER  HB3    23 VAL  QG2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 316, 317, 318,
 &end
#
#   2 SER  HB3    23 VAL  QG2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 316, 317, 318,
 &end
#
#   2 SER  HB3    24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 322, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HB3    24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 322, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HB3    24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 322, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HB3    25 ASP  HA       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 343, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   2 SER  HB3    25 ASP  HA       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 343, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   2 SER  HB3    25 ASP  HA       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 343, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   2 SER  HB3    25 ASP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 345, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HB3    25 ASP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 345, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HB3    25 ASP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 345, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HB3    25 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 346, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HB3    25 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 346, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HB3    25 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 346, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   2 SER  HB3   117 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1652,1653,1654,
 &end
#
#   2 SER  HB3   117 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1652,1653,1654,
 &end
#
#   2 SER  HB3   117 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1652,1653,1654,
 &end
#
#   3 GLU  HN      3 GLU  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  29, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   3 GLU  HN      3 GLU  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  29, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   3 GLU  HN      3 GLU  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  29, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   3 GLU  HN      3 GLU  HB3      4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  30, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   3 GLU  HN      3 GLU  HB3      4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  30, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   3 GLU  HN      3 GLU  HB3      4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  30, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   3 GLU  HN      3 GLU  HG2      5.54
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  32, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#   3 GLU  HN      3 GLU  HG2      5.54
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  32, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#   3 GLU  HN      3 GLU  HG2      5.54
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  32, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#   3 GLU  HN      4 LYS  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  40, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   3 GLU  HN      4 LYS  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  40, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   3 GLU  HN      4 LYS  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  40, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   3 GLU  HN      4 LYS  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  40, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   3 GLU  HN      5 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=  72,  73,  74,
 &end
#
#   3 GLU  HN      5 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=  72,  73,  74,
 &end
#
#   3 GLU  HN      5 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=  72,  73,  74,
 &end
#
#   3 GLU  HN     23 VAL  QG2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 316, 317, 318,
 &end
#
#   3 GLU  HN     23 VAL  QG2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 316, 317, 318,
 &end
#
#   3 GLU  HN     23 VAL  QG2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 316, 317, 318,
 &end
#
#   3 GLU  HN     24 ILE  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 322, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   3 GLU  HN     24 ILE  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 322, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   3 GLU  HN     24 ILE  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 322, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   3 GLU  HN     24 ILE  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 324, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   3 GLU  HN     24 ILE  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 324, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   3 GLU  HN     24 ILE  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 324, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   3 GLU  HN     24 ILE  HB       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 326, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   3 GLU  HN     24 ILE  HB       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 326, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   3 GLU  HN     24 ILE  HB       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 326, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   3 GLU  HN     24 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 332, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HN     24 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 332, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HN     24 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 332, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HN     24 ILE  QG2      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 328, 329, 330,
 &end
#
#   3 GLU  HN     24 ILE  QG2      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 328, 329, 330,
 &end
#
#   3 GLU  HN     24 ILE  QG2      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 328, 329, 330,
 &end
#
#   3 GLU  HN     25 ASP  HA       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 343, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   3 GLU  HN     25 ASP  HA       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 343, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   3 GLU  HN     25 ASP  HA       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 343, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   3 GLU  HN     25 ASP  HB2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 345, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   3 GLU  HN     25 ASP  HB2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 345, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   3 GLU  HN     25 ASP  HB2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 345, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   3 GLU  HN     25 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 346, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HN     25 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 346, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HN     25 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 346, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HN     26 GLU  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 353, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   3 GLU  HN     26 GLU  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 353, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   3 GLU  HN     26 GLU  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  25, 353, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   3 GLU  HN    117 LEU  QD2      3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1652,1653,1654,
 &end
#
#   3 GLU  HN    117 LEU  QD2      3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1652,1653,1654,
 &end
#
#   3 GLU  HN    117 LEU  QD2      3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1652,1653,1654,
 &end
#
#   3 GLU  HA      3 GLU  HB2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  29, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   3 GLU  HA      3 GLU  HB3      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  30, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   3 GLU  HA      3 GLU  HG3      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  33, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   3 GLU  HA      3 GLU  HG3      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  33, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   3 GLU  HA      3 GLU  HG3      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  33, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   3 GLU  HA      4 LYS  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  40, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   3 GLU  HA      4 LYS  HN       3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  40, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   3 GLU  HA      4 LYS  HN       3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  40, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   3 GLU  HA      4 LYS  HN       3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  40, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   3 GLU  HB2     3 GLU  HB3      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  30, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   3 GLU  HB2     4 LYS  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  40, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   3 GLU  HB2     4 LYS  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  40, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   3 GLU  HB2     4 LYS  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  40, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   3 GLU  HB2     4 LYS  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  40, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#   3 GLU  HB2    24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#   3 GLU  HB2    24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#   3 GLU  HB2    24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#   3 GLU  HB2   117 LEU  QD1      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1648,1649,1650,
 &end
#
#   3 GLU  HB2   117 LEU  QD1      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1648,1649,1650,
 &end
#
#   3 GLU  HB2   117 LEU  QD1      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1648,1649,1650,
 &end
#
#   3 GLU  HB2   154 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  29,2170, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HB2   154 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  29,2170, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HB2   154 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  29,2170, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HB3     4 LYS  HN       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  40, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   3 GLU  HB3     4 LYS  HN       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  40, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   3 GLU  HB3     4 LYS  HN       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  40, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   3 GLU  HB3    24 ILE  HB       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=  30, 326, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#   3 GLU  HB3    24 ILE  HB       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=  30, 326, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#   3 GLU  HB3    24 ILE  HB       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=  30, 326, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#   3 GLU  HB3    24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#   3 GLU  HB3    24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#   3 GLU  HB3    24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#   3 GLU  HB3   117 LEU  QD1      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1648,1649,1650,
 &end
#
#   3 GLU  HB3   117 LEU  QD1      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1648,1649,1650,
 &end
#
#   3 GLU  HB3   117 LEU  QD1      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1648,1649,1650,
 &end
#
#   3 GLU  HG2     3 GLU  HG3      3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  33, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
#   3 GLU  HG2     4 LYS  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  40, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   3 GLU  HG2     4 LYS  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  40, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   3 GLU  HG2     4 LYS  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  40, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   3 GLU  HG2   117 LEU  QD1      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1648,1649,1650,
 &end
#
#   3 GLU  HG2   117 LEU  QD1      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1648,1649,1650,
 &end
#
#   3 GLU  HG2   117 LEU  QD1      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1648,1649,1650,
 &end
#
#   3 GLU  HG2   154 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  32,2170, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HG2   154 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  32,2170, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HG2   154 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  32,2170, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HG3     4 LYS  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  40, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   3 GLU  HG3     4 LYS  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  40, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   3 GLU  HG3     4 LYS  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  40, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   3 GLU  HG3     5 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  62, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HG3     5 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  62, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HG3     5 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  62, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   3 GLU  HG3   117 LEU  QD2      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1652,1653,1654,
 &end
#
#   3 GLU  HG3   117 LEU  QD2      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1652,1653,1654,
 &end
#
#   3 GLU  HG3   117 LEU  QD2      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1652,1653,1654,
 &end
#
#   4 LYS  HN      4 LYS  HA       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  42, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   4 LYS  HN      4 LYS  QB       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=  44,  45,
 &end
#
#   4 LYS  HN      4 LYS  QB       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=  44,  45,
 &end
#
#   4 LYS  HN      4 LYS  QB       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=  44,  45,
 &end
#
#   4 LYS  HN      4 LYS  QD       5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2=  50,  51,
 &end
#
#   4 LYS  HN      4 LYS  QD       5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2=  50,  51,
 &end
#
#   4 LYS  HN      4 LYS  QD       5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2=  50,  51,
 &end
#
#   4 LYS  HN      4 LYS  QG       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=  47,  48,
 &end
#
#   4 LYS  HN      4 LYS  QG       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=  47,  48,
 &end
#
#   4 LYS  HN      4 LYS  QG       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=  47,  48,
 &end
#
#   4 LYS  HN      5 VAL  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  62, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   4 LYS  HN      5 VAL  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  62, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   4 LYS  HN      5 VAL  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  62, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   4 LYS  HN      5 VAL  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  62, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   4 LYS  HN      5 VAL  QG2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=  72,  73,  74,
 &end
#
#   4 LYS  HN      5 VAL  QG2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=  72,  73,  74,
 &end
#
#   4 LYS  HN      5 VAL  QG2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=  72,  73,  74,
 &end
#
#   4 LYS  HN     23 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 316, 317, 318,
 &end
#
#   4 LYS  HN     23 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 316, 317, 318,
 &end
#
#   4 LYS  HN     23 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 316, 317, 318,
 &end
#
#   4 LYS  HN     24 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 326, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   4 LYS  HN     24 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 326, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   4 LYS  HN     24 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 326, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   4 LYS  HA      4 LYS  QB       3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=  44,  45,
 &end
#
#   4 LYS  HA      4 LYS  QD       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr2=  50,  51,
 &end
#
#   4 LYS  HA      4 LYS  QD       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr2=  50,  51,
 &end
#
#   4 LYS  HA      4 LYS  QD       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr2=  50,  51,
 &end
#
#   4 LYS  HA      4 LYS  QE       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=  53,  54,
 &end
#
#   4 LYS  HA      4 LYS  QE       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=  53,  54,
 &end
#
#   4 LYS  HA      4 LYS  QE       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=  53,  54,
 &end
#
#   4 LYS  HA      5 VAL  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  62, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   4 LYS  HA      5 VAL  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  62, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   4 LYS  HA      5 VAL  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  62, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   4 LYS  HA      5 VAL  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  62, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   4 LYS  HA      5 VAL  HA       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  64, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   4 LYS  HA      5 VAL  HA       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  64, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   4 LYS  HA      5 VAL  HA       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  64, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   4 LYS  HA      5 VAL  QG2      3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=  72,  73,  74,
 &end
#
#   4 LYS  HA      5 VAL  QG2      3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=  72,  73,  74,
 &end
#
#   4 LYS  HA      5 VAL  QG2      3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=  72,  73,  74,
 &end
#
#   4 LYS  HA      6 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  78, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   4 LYS  HA      6 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  78, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   4 LYS  HA      6 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  78, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   4 LYS  HA     21 THR  HB       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 280, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#   4 LYS  HA     21 THR  HB       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 280, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#   4 LYS  HA     21 THR  HB       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 280, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#   4 LYS  HA     23 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 316, 317, 318,
 &end
#
#   4 LYS  HA     23 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 316, 317, 318,
 &end
#
#   4 LYS  HA     23 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 316, 317, 318,
 &end
#
#   4 LYS  HA     24 ILE  HN       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 322, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   4 LYS  HA     24 ILE  HN       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 322, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   4 LYS  HA     24 ILE  HN       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 322, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   4 LYS  HA     24 ILE  QD1      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 335, 336, 337,
 &end
#
#   4 LYS  HA     24 ILE  QD1      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 335, 336, 337,
 &end
#
#   4 LYS  HA     24 ILE  QD1      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 335, 336, 337,
 &end
#
#   4 LYS  HB2     5 VAL  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  62, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#   4 LYS  QB      5 VAL  HN       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  44,  45,
 &end
#
#   4 LYS  QB      5 VAL  HN       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  44,  45,
 &end
#
#   4 LYS  QB      5 VAL  HN       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  44,  45,
 &end
#
#   4 LYS  QB      6 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  44,  45,
 &end
#
#   4 LYS  QB      6 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  44,  45,
 &end
#
#   4 LYS  QB      6 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  44,  45,
 &end
#
#   4 LYS  QD     21 THR  HB       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=  50,  51,
 &end
#
#   4 LYS  QD     21 THR  HB       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=  50,  51,
 &end
#
#   4 LYS  QD     21 THR  HB       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=  50,  51,
 &end
#
#   4 LYS  QG      5 VAL  HN       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=  47,  48,
 &end
#
#   4 LYS  QG      5 VAL  HN       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=  47,  48,
 &end
#
#   4 LYS  QG      5 VAL  HN       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=  47,  48,
 &end
#
#   4 LYS  QG     24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  47,  48,
 &end
#
#   4 LYS  QG     24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  47,  48,
 &end
#
#   4 LYS  QG     24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  47,  48,
 &end
#
#   5 VAL  HN      5 VAL  HA       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  64, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   5 VAL  HN      5 VAL  HB       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  66, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   5 VAL  HN      5 VAL  HB       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  66, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   5 VAL  HN      5 VAL  HB       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  66, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   5 VAL  HN      5 VAL  QG1      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=  68,  69,  70,
 &end
#
#   5 VAL  HN      5 VAL  QG1      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=  68,  69,  70,
 &end
#
#   5 VAL  HN      5 VAL  QG1      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=  68,  69,  70,
 &end
#
#   5 VAL  HN      5 VAL  QG2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=  72,  73,  74,
 &end
#
#   5 VAL  HN      5 VAL  QG2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=  72,  73,  74,
 &end
#
#   5 VAL  HN      5 VAL  QG2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=  72,  73,  74,
 &end
#
#   5 VAL  HN      6 GLY  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  78, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   5 VAL  HN      6 GLY  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  78, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   5 VAL  HN      6 GLY  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  78, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   5 VAL  HN      6 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  78, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   5 VAL  HN      7 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  85, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   5 VAL  HN      7 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  85, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   5 VAL  HN      7 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  85, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   5 VAL  HN     21 THR  HA       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 278, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   5 VAL  HN     21 THR  HA       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 278, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   5 VAL  HN     21 THR  HA       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 278, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   5 VAL  HN     21 THR  HB       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 280, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   5 VAL  HN     21 THR  HB       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 280, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   5 VAL  HN     21 THR  HB       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 280, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   5 VAL  HN     21 THR  QG2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2= 282, 283, 284,
 &end
#
#   5 VAL  HN     21 THR  QG2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2= 282, 283, 284,
 &end
#
#   5 VAL  HN     21 THR  QG2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2= 282, 283, 284,
 &end
#
#   5 VAL  HN     22 VAL  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 290, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   5 VAL  HN     22 VAL  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 290, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   5 VAL  HN     22 VAL  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 290, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   5 VAL  HN     22 VAL  HB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 294, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   5 VAL  HN     22 VAL  HB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 294, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   5 VAL  HN     22 VAL  HB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 294, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   5 VAL  HN     23 VAL  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 308, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   5 VAL  HN     23 VAL  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 308, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   5 VAL  HN     23 VAL  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 308, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   5 VAL  HN     24 ILE  HB       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 326, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#   5 VAL  HN     24 ILE  HB       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 326, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#   5 VAL  HN     24 ILE  HB       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 326, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#   5 VAL  HN     24 ILE  HG12     5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 332, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   5 VAL  HN     24 ILE  HG12     5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 332, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   5 VAL  HN     24 ILE  HG12     5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 332, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   5 VAL  HN     24 ILE  HG13     5.76
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 333, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#   5 VAL  HN     24 ILE  HG13     5.76
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 333, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#   5 VAL  HN     24 ILE  HG13     5.76
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 333, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#   5 VAL  HN     24 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 335, 336, 337,
 &end
#
#   5 VAL  HN     24 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 335, 336, 337,
 &end
#
#   5 VAL  HN     24 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 335, 336, 337,
 &end
#
#   5 VAL  HA      5 VAL  HB       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   5 VAL  HA      5 VAL  QG1      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=  68,  69,  70,
 &end
#
#   5 VAL  HA      5 VAL  QG1      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=  68,  69,  70,
 &end
#
#   5 VAL  HA      5 VAL  QG1      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=  68,  69,  70,
 &end
#
#   5 VAL  HA      5 VAL  QG2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=  72,  73,  74,
 &end
#
#   5 VAL  HA      5 VAL  QG2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=  72,  73,  74,
 &end
#
#   5 VAL  HA      5 VAL  QG2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=  72,  73,  74,
 &end
#
#   5 VAL  HA      6 GLY  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  78, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   5 VAL  HA      6 GLY  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  78, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   5 VAL  HA      6 GLY  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  78, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   5 VAL  HA      6 GLY  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  78, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   5 VAL  HA      6 GLY  HA3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  81, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   5 VAL  HA      6 GLY  HA3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  81, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   5 VAL  HA      6 GLY  HA3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  81, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   5 VAL  HA     21 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 280, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   5 VAL  HA     21 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 280, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   5 VAL  HA     21 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 280, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   5 VAL  HB      5 VAL  QG2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=  72,  73,  74,
 &end
#
#   5 VAL  HB      6 GLY  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  78, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   5 VAL  HB      6 GLY  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  78, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   5 VAL  HB      6 GLY  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  78, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   5 VAL  HB      6 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  78, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#   5 VAL  HB     22 VAL  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 290, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   5 VAL  HB     22 VAL  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 290, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   5 VAL  HB     22 VAL  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 290, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   5 VAL  QG1     5 VAL  HB       3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1     5 VAL  QG2      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  68,  69,  70,
 igr2=  72,  73,  74,
 &end
#
#   5 VAL  QG1     6 GLY  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1     6 GLY  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1     6 GLY  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1     6 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1     6 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1     6 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1     7 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1     7 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1     7 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1    22 VAL  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1    22 VAL  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1    22 VAL  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1   151 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1   151 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1   151 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1   151 GLY  HA3      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2131, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1   151 GLY  HA3      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2131, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1   151 GLY  HA3      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2131, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1   152 VAL  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1   152 VAL  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG1   152 VAL  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  68,  69,  70,
 &end
#
#   5 VAL  QG2     6 GLY  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2     6 GLY  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2     6 GLY  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2    24 ILE  QD1      3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  72,  73,  74,
 igr2= 335, 336, 337,
 &end
#
#   5 VAL  QG2    24 ILE  QD1      3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  72,  73,  74,
 igr2= 335, 336, 337,
 &end
#
#   5 VAL  QG2    24 ILE  QD1      3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  72,  73,  74,
 igr2= 335, 336, 337,
 &end
#
#   5 VAL  QG2    24 ILE  QG2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12,
 igr1=  72,  73,  74,
 igr2= 328, 329, 330,
 &end
#
#   5 VAL  QG2    24 ILE  QG2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12,
 igr1=  72,  73,  74,
 igr2= 328, 329, 330,
 &end
#
#   5 VAL  QG2    24 ILE  QG2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12,
 igr1=  72,  73,  74,
 igr2= 328, 329, 330,
 &end
#
#   5 VAL  QG2   153 ILE  HA       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2153, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2   153 ILE  HA       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2153, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2   153 ILE  HA       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2153, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2   153 ILE  HG13     3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2162, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2   153 ILE  HG13     3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2162, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2   153 ILE  HG13     3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2162, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2   154 LYS  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2170, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2   154 LYS  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2170, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  72,  73,  74,
 &end
#
#   5 VAL  QG2   154 LYS  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2170, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  72,  73,  74,
 &end
#
#   6 GLY  HN      6 GLY  HA3      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  81, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   6 GLY  HN      7 MET  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  85, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   6 GLY  HN      7 MET  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  85, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   6 GLY  HN      7 MET  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  85, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   6 GLY  HN      7 MET  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  85, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   6 GLY  HN      7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HN      7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HN      7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HN      7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HN      7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HN      7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HN     21 THR  HA       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 278, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#   6 GLY  HN     21 THR  HA       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 278, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#   6 GLY  HN     21 THR  HA       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 278, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#   6 GLY  HN     21 THR  HB       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 280, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   6 GLY  HN     21 THR  HB       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 280, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   6 GLY  HN     21 THR  HB       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 280, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   6 GLY  HN     21 THR  QG2      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 282, 283, 284,
 &end
#
#   6 GLY  HN     21 THR  QG2      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 282, 283, 284,
 &end
#
#   6 GLY  HN     21 THR  QG2      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 282, 283, 284,
 &end
#
#   6 GLY  HN    152 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78,2135, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HN    152 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78,2135, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HN    152 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  78,2135, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HA2     6 GLY  HA3      3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  81, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#   6 GLY  HA2     7 MET  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  85, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   6 GLY  HA2     7 MET  HN       3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  85, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   6 GLY  HA2     7 MET  HN       3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  85, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   6 GLY  HA2     7 MET  HN       3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  85, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   6 GLY  HA2     7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HA2     7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HA2     7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HA2     7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HA2     7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HA2     7 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  92, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HA2    21 THR  HA       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 278, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   6 GLY  HA2    21 THR  HA       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 278, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   6 GLY  HA2    21 THR  HA       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 278, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   6 GLY  HA2    21 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 280, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HA2    21 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 280, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HA2    21 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 280, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   6 GLY  HA2    21 THR  QG2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 282, 283, 284,
 &end
#
#   6 GLY  HA2    21 THR  QG2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 282, 283, 284,
 &end
#
#   6 GLY  HA2    21 THR  QG2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 282, 283, 284,
 &end
#
#   6 GLY  HA2    22 VAL  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 290, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#   6 GLY  HA2    22 VAL  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 290, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#   6 GLY  HA2    22 VAL  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 290, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#   6 GLY  HA3     7 MET  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  85, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   6 GLY  HA3     7 MET  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  85, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   6 GLY  HA3     7 MET  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  85, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   6 GLY  HA3    21 THR  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 278, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   6 GLY  HA3    21 THR  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 278, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   6 GLY  HA3    21 THR  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 278, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   6 GLY  HA3    21 THR  QG2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 282, 283, 284,
 &end
#
#   6 GLY  HA3    21 THR  QG2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 282, 283, 284,
 &end
#
#   6 GLY  HA3    21 THR  QG2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 282, 283, 284,
 &end
#
#   7 MET  HN      7 MET  HA       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  87, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   7 MET  HN      7 MET  HB2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  89, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   7 MET  HN      7 MET  HB2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  89, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   7 MET  HN      7 MET  HB2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  89, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   7 MET  HN      7 MET  HB3      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  90, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   7 MET  HN      7 MET  HG2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  92, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   7 MET  HN      7 MET  HG2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  92, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   7 MET  HN      7 MET  HG2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  92, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   7 MET  HN      7 MET  HG2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  92, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   7 MET  HN      7 MET  HG2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  92, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   7 MET  HN      7 MET  HG2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  92, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   7 MET  HN      7 MET  QE       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HN      7 MET  QE       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HN      7 MET  QE       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HN      8 ASN  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 102, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   7 MET  HN      8 ASN  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 102, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   7 MET  HN      8 ASN  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 102, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   7 MET  HN      8 ASN  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 102, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   7 MET  HN      8 ASN  HA       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 104, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#   7 MET  HN      8 ASN  HA       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 104, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#   7 MET  HN      8 ASN  HA       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 104, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#   7 MET  HN     21 THR  HA       4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 278, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   7 MET  HN     21 THR  HA       4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 278, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   7 MET  HN     21 THR  HA       4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 278, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   7 MET  HN     21 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 280, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HN     21 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 280, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HN     21 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 280, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HN     21 THR  QG2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 282, 283, 284,
 &end
#
#   7 MET  HN     21 THR  QG2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 282, 283, 284,
 &end
#
#   7 MET  HN     21 THR  QG2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 282, 283, 284,
 &end
#
#   7 MET  HN     22 VAL  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 290, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   7 MET  HN     22 VAL  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 290, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   7 MET  HN     22 VAL  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 290, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   7 MET  HN     37 LEU  QD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HN     37 LEU  QD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HN     37 LEU  QD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HN    151 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  85,2130, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HN    151 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  85,2130, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HN    151 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  85,2130, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HA      7 MET  HB2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  89, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   7 MET  HA      7 MET  HB3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  90, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   7 MET  HA      7 MET  HG2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  92, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   7 MET  HA      7 MET  HG2      5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  92, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   7 MET  HA      7 MET  QE       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HA      7 MET  QE       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HA      7 MET  QE       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HA      8 ASN  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 102, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   7 MET  HA      8 ASN  HN       3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 102, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   7 MET  HA      8 ASN  HN       3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 102, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   7 MET  HA      8 ASN  HN       3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 102, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   7 MET  HA      8 ASN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 107, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HA      8 ASN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 107, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HA      8 ASN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 107, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HA     37 LEU  QD2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HA     37 LEU  QD2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HA     37 LEU  QD2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HA    151 GLY  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  87,2128, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   7 MET  HA    151 GLY  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  87,2128, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   7 MET  HA    151 GLY  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  87,2128, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   7 MET  HA    151 GLY  HA2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  87,2130, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   7 MET  HA    151 GLY  HA2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  87,2130, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   7 MET  HA    151 GLY  HA2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  87,2130, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   7 MET  HA    151 GLY  HA3      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  87,2131, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   7 MET  HA    151 GLY  HA3      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  87,2131, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   7 MET  HA    151 GLY  HA3      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  87,2131, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   7 MET  HB2     7 MET  HB3      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  90, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   7 MET  HB2     7 MET  HG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  92, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#   7 MET  HB2     8 ASN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 102, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   7 MET  HB2     8 ASN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 102, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   7 MET  HB2     8 ASN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 102, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   7 MET  HB2     8 ASN  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 102, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#   7 MET  HB2    21 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 278, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HB2    21 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 278, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HB2    21 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 278, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HB2    37 LEU  QD2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HB2    37 LEU  QD2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HB2    37 LEU  QD2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HB3     7 MET  HG2      5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  92, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#   7 MET  HB3     7 MET  QE       5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HB3     7 MET  QE       5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HB3     7 MET  QE       5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HB3     8 ASN  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 102, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   7 MET  HB3     8 ASN  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 102, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   7 MET  HB3     8 ASN  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 102, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   7 MET  HB3     8 ASN  HA       5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 104, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#   7 MET  HB3     8 ASN  HA       5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 104, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#   7 MET  HB3     8 ASN  HA       5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 104, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#   7 MET  HB3    37 LEU  QD2      5.59
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HB3    37 LEU  QD2      5.59
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HB3    37 LEU  QD2      5.59
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HB3   149 ALA  QB       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2112,2113,2114,
 &end
#
#   7 MET  HB3   149 ALA  QB       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2112,2113,2114,
 &end
#
#   7 MET  HB3   149 ALA  QB       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2112,2113,2114,
 &end
#
#   7 MET  HB3   150 CYX  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  90,2118, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   7 MET  HB3   150 CYX  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  90,2118, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   7 MET  HB3   150 CYX  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  90,2118, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   7 MET  HB3   150 CYX  HA       5.70
 &rst
  ixpk= 0, nxpk= 0, iat=  90,2120, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   7 MET  HB3   150 CYX  HA       5.70
 &rst
  ixpk= 0, nxpk= 0, iat=  90,2120, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   7 MET  HB3   150 CYX  HA       5.70
 &rst
  ixpk= 0, nxpk= 0, iat=  90,2120, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   7 MET  HG2     7 MET  QE       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HG2     7 MET  QE       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HG2     7 MET  QE       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HG2     7 MET  QE       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  96,  97,  98,
 &end
#
#   7 MET  HG2    21 THR  HA       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 278, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   7 MET  HG2    21 THR  HA       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 278, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   7 MET  HG2    21 THR  HA       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 278, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   7 MET  HG2    21 THR  HA       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 278, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#   7 MET  HG2    21 THR  HA       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 278, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#   7 MET  HG2    21 THR  HA       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 278, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#   7 MET  HG2    22 VAL  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 290, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#   7 MET  HG2    22 VAL  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 290, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#   7 MET  HG2    22 VAL  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 290, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#   7 MET  HG2    22 VAL  QQG      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   7 MET  HG2    22 VAL  QQG      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   7 MET  HG2    22 VAL  QQG      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   7 MET  HG2    22 VAL  QQG      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   7 MET  HG2    22 VAL  QQG      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   7 MET  HG2    22 VAL  QQG      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   7 MET  HG2    33 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 464, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HG2    33 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 464, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HG2    33 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 464, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   7 MET  HG2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#   7 MET  HG2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#   7 MET  HG2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#   7 MET  HG2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#   7 MET  HG2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#   7 MET  HG2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#   7 MET  HG2    37 LEU  QD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HG2    37 LEU  QD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HG2    37 LEU  QD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HG2    37 LEU  QD2      5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HG2    37 LEU  QD2      5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HG2    37 LEU  QD2      5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 530, 531, 532,
 &end
#
#   7 MET  HG2   151 GLY  HA2      4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  92,2130, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   7 MET  HG2   151 GLY  HA2      4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  92,2130, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   7 MET  HG2   151 GLY  HA2      4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  92,2130, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   7 MET  QE      8 ASN  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE      8 ASN  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE      8 ASN  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE     22 VAL  HN       5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE     22 VAL  HN       5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE     22 VAL  HN       5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE     33 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE     33 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE     33 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE     33 PHE  QE       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=  96,  97,  98,
 igr2= 462, 466,
 &end
#
#   7 MET  QE     33 PHE  QE       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=  96,  97,  98,
 igr2= 462, 466,
 &end
#
#   7 MET  QE     33 PHE  QE       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=  96,  97,  98,
 igr2= 462, 466,
 &end
#
#   7 MET  QE     47 PHE  QD       5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1=  96,  97,  98,
 igr2= 670, 678,
 &end
#
#   7 MET  QE     47 PHE  QD       5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1=  96,  97,  98,
 igr2= 670, 678,
 &end
#
#   7 MET  QE     47 PHE  QD       5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1=  96,  97,  98,
 igr2= 670, 678,
 &end
#
#   7 MET  QE    127 ILE  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    127 ILE  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    127 ILE  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    127 ILE  QD1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=  96,  97,  98,
 igr2=1816,1817,1818,
 &end
#
#   7 MET  QE    127 ILE  QD1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=  96,  97,  98,
 igr2=1816,1817,1818,
 &end
#
#   7 MET  QE    127 ILE  QD1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=  96,  97,  98,
 igr2=1816,1817,1818,
 &end
#
#   7 MET  QE    149 ALA  QB       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=  96,  97,  98,
 igr2=2112,2113,2114,
 &end
#
#   7 MET  QE    149 ALA  QB       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=  96,  97,  98,
 igr2=2112,2113,2114,
 &end
#
#   7 MET  QE    149 ALA  QB       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=  96,  97,  98,
 igr2=2112,2113,2114,
 &end
#
#   7 MET  QE    150 CYX  HN       5.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    150 CYX  HN       5.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    150 CYX  HN       5.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    150 CYX  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    150 CYX  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    150 CYX  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    150 CYX  HB2      5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    150 CYX  HB2      5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    150 CYX  HB2      5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    151 GLY  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    151 GLY  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    151 GLY  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    151 GLY  HA2      5.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2130, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    151 GLY  HA2      5.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2130, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    151 GLY  HA2      5.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2130, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    151 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2131, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    151 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2131, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  96,  97,  98,
 &end
#
#   7 MET  QE    151 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2131, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  96,  97,  98,
 &end
#
#   8 ASN  HN      8 ASN  HA       3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 104, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   8 ASN  HN      8 ASN  HB2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   8 ASN  HN      8 ASN  HB2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   8 ASN  HN      8 ASN  HB2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   8 ASN  HN      8 ASN  HB3      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 107, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   8 ASN  HN      8 ASN  HB3      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 107, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   8 ASN  HN      8 ASN  HB3      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 107, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   8 ASN  HN      8 ASN  HD21     5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 111, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   8 ASN  HN      8 ASN  HD21     5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 111, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   8 ASN  HN      8 ASN  HD21     5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 111, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   8 ASN  HN      8 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 112, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HN      8 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 112, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HN      8 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 112, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HN      9 LEU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 116, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   8 ASN  HN     10 VAL  QG1      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 141, 142, 143,
 &end
#
#   8 ASN  HN     10 VAL  QG1      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 141, 142, 143,
 &end
#
#   8 ASN  HN     10 VAL  QG1      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 141, 142, 143,
 &end
#
#   8 ASN  HN     10 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 145, 146, 147,
 &end
#
#   8 ASN  HN     10 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 145, 146, 147,
 &end
#
#   8 ASN  HN     10 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 145, 146, 147,
 &end
#
#   8 ASN  HN     15 VAL  QG1      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HN     15 VAL  QG1      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HN     15 VAL  QG1      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HN    150 CYX  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2118, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   8 ASN  HN    150 CYX  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2118, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   8 ASN  HN    150 CYX  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2118, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   8 ASN  HN    150 CYX  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2120, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HN    150 CYX  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2120, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HN    150 CYX  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2120, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HN    151 GLY  HN       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2128, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#   8 ASN  HN    151 GLY  HN       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2128, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#   8 ASN  HN    151 GLY  HN       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2128, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#   8 ASN  HN    151 GLY  HA3      6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2131, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#   8 ASN  HN    151 GLY  HA3      6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2131, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#   8 ASN  HN    151 GLY  HA3      6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 102,2131, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#   8 ASN  HA      8 ASN  HB2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   8 ASN  HA      8 ASN  HB3      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 107, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   8 ASN  HA      8 ASN  HD21     5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 111, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   8 ASN  HA      8 ASN  HD21     5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 111, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   8 ASN  HA      8 ASN  HD21     5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 111, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   8 ASN  HA      8 ASN  HD22     5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 112, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   8 ASN  HA      8 ASN  HD22     5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 112, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   8 ASN  HA      8 ASN  HD22     5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 112, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   8 ASN  HA      9 LEU  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 116, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   8 ASN  HA      9 LEU  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 116, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   8 ASN  HA      9 LEU  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 116, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   8 ASN  HA      9 LEU  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 116, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   8 ASN  HA      9 LEU  HB2      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 120, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   8 ASN  HA      9 LEU  HB2      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 120, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   8 ASN  HA      9 LEU  HB2      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 120, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   8 ASN  HA      9 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 125, 126, 127,
 &end
#
#   8 ASN  HA      9 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 125, 126, 127,
 &end
#
#   8 ASN  HA      9 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 125, 126, 127,
 &end
#
#   8 ASN  HA     10 VAL  QG1      6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 141, 142, 143,
 &end
#
#   8 ASN  HA     10 VAL  QG1      6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 141, 142, 143,
 &end
#
#   8 ASN  HA     10 VAL  QG1      6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 141, 142, 143,
 &end
#
#   8 ASN  HA     15 VAL  QG1      5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HA     15 VAL  QG1      5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HA     15 VAL  QG1      5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HA     16 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA     16 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA     16 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA     17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA     17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA     17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA     18 SER  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 239, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 ASN  HA     18 SER  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 239, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 ASN  HA     18 SER  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 239, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 ASN  HA     18 SER  HA       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 241, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#   8 ASN  HA     18 SER  HA       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 241, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#   8 ASN  HA     18 SER  HA       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 241, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#   8 ASN  HA     18 SER  HB2      5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 ASN  HA     18 SER  HB2      5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 ASN  HA     18 SER  HB2      5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 ASN  HA     18 SER  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 244, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA     18 SER  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 244, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA     18 SER  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 244, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA    150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104,2118, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA    150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104,2118, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HA    150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 104,2118, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2     8 ASN  HB3      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 107, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   8 ASN  HB2     8 ASN  HD21     4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 111, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   8 ASN  HB2     8 ASN  HD21     4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 111, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   8 ASN  HB2     8 ASN  HD21     4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 111, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   8 ASN  HB2     8 ASN  HD22     4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 112, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   8 ASN  HB2     9 LEU  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 116, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   8 ASN  HB2     9 LEU  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 116, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   8 ASN  HB2     9 LEU  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 116, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   8 ASN  HB2     9 LEU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 116, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#   8 ASN  HB2     9 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 118, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2     9 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 118, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2     9 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 118, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    15 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 201, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    15 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 201, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    15 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 201, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    15 VAL  QG1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HB2    15 VAL  QG1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HB2    15 VAL  QG1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HB2    16 GLY  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 215, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   8 ASN  HB2    16 GLY  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 215, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   8 ASN  HB2    16 GLY  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 215, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   8 ASN  HB2    17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    18 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 239, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    18 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 239, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    18 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 239, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    18 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 241, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    18 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 241, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB2    18 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 241, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HB3     8 ASN  HD21     4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 111, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   8 ASN  HB3     9 LEU  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 116, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   8 ASN  HB3     9 LEU  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 116, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   8 ASN  HB3     9 LEU  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 116, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   8 ASN  HB3    15 VAL  QG1      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HB3    15 VAL  QG1      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HB3    15 VAL  QG1      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HB3    16 GLY  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 215, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   8 ASN  HB3    16 GLY  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 215, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   8 ASN  HB3    16 GLY  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 215, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   8 ASN  HD21    8 ASN  HD22     3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 112, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#   8 ASN  HD21    9 LEU  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   8 ASN  HD21    9 LEU  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   8 ASN  HD21    9 LEU  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   8 ASN  HD21   15 VAL  QG1      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HD21   15 VAL  QG1      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HD21   15 VAL  QG1      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HD21   15 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 209, 210, 211,
 &end
#
#   8 ASN  HD21   15 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 209, 210, 211,
 &end
#
#   8 ASN  HD21   15 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 209, 210, 211,
 &end
#
#   8 ASN  HD21   16 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD21   16 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD21   16 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD21   16 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 218, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD21   16 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 218, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD21   16 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 218, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD21   17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD21   17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD21   17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD21   17 GLN  HA       5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 224, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#   8 ASN  HD21   17 GLN  HA       5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 224, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#   8 ASN  HD21   17 GLN  HA       5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 224, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#   8 ASN  HD21   17 GLN  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 226, 227,
 &end
#
#   8 ASN  HD21   17 GLN  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 226, 227,
 &end
#
#   8 ASN  HD21   17 GLN  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 226, 227,
 &end
#
#   8 ASN  HD21   18 SER  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 239, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   8 ASN  HD21   18 SER  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 239, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   8 ASN  HD21   18 SER  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 239, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   8 ASN  HD21   18 SER  HA       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 241, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   8 ASN  HD21   18 SER  HA       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 241, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   8 ASN  HD21   18 SER  HA       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 241, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   8 ASN  HD21   18 SER  HB2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 243, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#   8 ASN  HD21   18 SER  HB2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 243, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#   8 ASN  HD21   18 SER  HB2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 243, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#   8 ASN  HD21   18 SER  HB3      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 244, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   8 ASN  HD21   18 SER  HB3      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 244, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   8 ASN  HD21   18 SER  HB3      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 244, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   8 ASN  HD22   15 VAL  QG1      5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HD22   15 VAL  QG1      5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HD22   15 VAL  QG1      5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr2= 205, 206, 207,
 &end
#
#   8 ASN  HD22   16 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD22   16 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD22   16 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD22   17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD22   17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD22   17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 222, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD22   17 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 224, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD22   17 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 224, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD22   17 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 224, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 ASN  HD22   18 SER  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 239, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   8 ASN  HD22   18 SER  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 239, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   8 ASN  HD22   18 SER  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 239, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   8 ASN  HD22   18 SER  HA       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 241, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#   8 ASN  HD22   18 SER  HA       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 241, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#   8 ASN  HD22   18 SER  HA       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 241, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#   8 ASN  HD22   18 SER  HB2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 243, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#   8 ASN  HD22   18 SER  HB2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 243, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#   8 ASN  HD22   18 SER  HB2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 243, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#   8 ASN  HD22   18 SER  HB3      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 244, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#   8 ASN  HD22   18 SER  HB3      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 244, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#   8 ASN  HD22   18 SER  HB3      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 244, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#   9 LEU  HN      9 LEU  HA       4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 118, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   9 LEU  HN      9 LEU  HB2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 120, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   9 LEU  HN      9 LEU  HB2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 120, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   9 LEU  HN      9 LEU  HB2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 120, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   9 LEU  HN      9 LEU  HB3      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 121, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   9 LEU  HN      9 LEU  HB3      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 121, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   9 LEU  HN      9 LEU  HB3      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 121, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   9 LEU  HN      9 LEU  HG       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   9 LEU  HN      9 LEU  HG       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   9 LEU  HN      9 LEU  HG       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   9 LEU  HN      9 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HN      9 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HN      9 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HN      9 LEU  QD2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 129, 130, 131,
 &end
#
#   9 LEU  HN      9 LEU  QD2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 129, 130, 131,
 &end
#
#   9 LEU  HN      9 LEU  QD2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 129, 130, 131,
 &end
#
#   9 LEU  HN     10 VAL  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 135, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   9 LEU  HN     10 VAL  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 135, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   9 LEU  HN     10 VAL  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 135, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   9 LEU  HN     10 VAL  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 135, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   9 LEU  HN     10 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 145, 146, 147,
 &end
#
#   9 LEU  HN     10 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 145, 146, 147,
 &end
#
#   9 LEU  HN     10 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 145, 146, 147,
 &end
#
#   9 LEU  HN     16 GLY  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 215, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#   9 LEU  HN     16 GLY  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 215, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#   9 LEU  HN     16 GLY  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 215, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#   9 LEU  HN     16 GLY  HA3      5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 218, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#   9 LEU  HN     16 GLY  HA3      5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 218, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#   9 LEU  HN     16 GLY  HA3      5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 218, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#   9 LEU  HN     17 GLN  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 222, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   9 LEU  HN     17 GLN  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 222, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   9 LEU  HN     17 GLN  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 222, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   9 LEU  HN     17 GLN  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 226, 227,
 &end
#
#   9 LEU  HN     17 GLN  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 226, 227,
 &end
#
#   9 LEU  HN     17 GLN  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 226, 227,
 &end
#
#   9 LEU  HN     18 SER  HA       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 241, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   9 LEU  HN     18 SER  HA       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 241, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   9 LEU  HN     18 SER  HA       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 241, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   9 LEU  HN    149 ALA  HA       5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 116,2110, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#   9 LEU  HN    149 ALA  HA       5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 116,2110, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#   9 LEU  HN    149 ALA  HA       5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 116,2110, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#   9 LEU  HA      9 LEU  HB2      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 120, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   9 LEU  HA      9 LEU  HB3      4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 121, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   9 LEU  HA      9 LEU  QD1      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HA      9 LEU  QD1      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HA      9 LEU  QD1      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HA      9 LEU  QD2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 129, 130, 131,
 &end
#
#   9 LEU  HA      9 LEU  QD2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 129, 130, 131,
 &end
#
#   9 LEU  HA      9 LEU  QD2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 129, 130, 131,
 &end
#
#   9 LEU  HA     10 VAL  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 135, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   9 LEU  HA     10 VAL  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 135, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   9 LEU  HA     10 VAL  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 135, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   9 LEU  HA     10 VAL  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 135, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   9 LEU  HA     10 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   9 LEU  HA     10 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   9 LEU  HA     10 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   9 LEU  HA     10 VAL  QG1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 141, 142, 143,
 &end
#
#   9 LEU  HA     10 VAL  QG1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 141, 142, 143,
 &end
#
#   9 LEU  HA     10 VAL  QG1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 141, 142, 143,
 &end
#
#   9 LEU  HA     10 VAL  QG2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 145, 146, 147,
 &end
#
#   9 LEU  HA     10 VAL  QG2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 145, 146, 147,
 &end
#
#   9 LEU  HA     10 VAL  QG2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 145, 146, 147,
 &end
#
#   9 LEU  HA    149 ALA  HA       4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 118,2110, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   9 LEU  HA    149 ALA  HA       4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 118,2110, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   9 LEU  HA    149 ALA  HA       4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 118,2110, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   9 LEU  HA    150 CYX  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 118,2118, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   9 LEU  HA    150 CYX  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 118,2118, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   9 LEU  HA    150 CYX  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 118,2118, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   9 LEU  HB2     9 LEU  QD1      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HB2     9 LEU  QD1      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HB2     9 LEU  QD1      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HB2    10 VAL  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 135, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   9 LEU  HB2    10 VAL  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 135, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   9 LEU  HB2    10 VAL  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 135, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   9 LEU  HB2    10 VAL  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 135, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#   9 LEU  HB2    16 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 218, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   9 LEU  HB2    16 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 218, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   9 LEU  HB2    16 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 218, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   9 LEU  HB2    17 GLN  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 222, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   9 LEU  HB2    17 GLN  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 222, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   9 LEU  HB2    17 GLN  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 222, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   9 LEU  HB2    18 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 239, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   9 LEU  HB2    18 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 239, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   9 LEU  HB2    18 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 239, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   9 LEU  HB3     9 LEU  QD1      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HB3     9 LEU  QD1      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HB3     9 LEU  QD1      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  HB3    10 VAL  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 135, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   9 LEU  HB3    10 VAL  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 135, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   9 LEU  HB3    10 VAL  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 135, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   9 LEU  HB3    17 GLN  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 222, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   9 LEU  HB3    17 GLN  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 222, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   9 LEU  HB3    17 GLN  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 222, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   9 LEU  HG      9 LEU  QD2      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 129, 130, 131,
 &end
#
#   9 LEU  QD1    16 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    16 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    16 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HNE1     4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HNE1     4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HNE1     4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HG3      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HG3      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  HG3      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    17 GLN  QB       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 125, 126, 127,
 igr2= 226, 227,
 &end
#
#   9 LEU  QD1    17 GLN  QB       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 125, 126, 127,
 igr2= 226, 227,
 &end
#
#   9 LEU  QD1    17 GLN  QB       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 125, 126, 127,
 igr2= 226, 227,
 &end
#
#   9 LEU  QD1    18 SER  HN       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    18 SER  HN       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    18 SER  HN       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    19 ILE  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    19 ILE  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    19 ILE  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    39 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    39 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    39 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 125, 126, 127,
 &end
#
#   9 LEU  QD1    39 ALA  QB       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 125, 126, 127,
 igr2= 562, 563, 564,
 &end
#
#   9 LEU  QD1    39 ALA  QB       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 125, 126, 127,
 igr2= 562, 563, 564,
 &end
#
#   9 LEU  QD1    39 ALA  QB       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 125, 126, 127,
 igr2= 562, 563, 564,
 &end
#
#   9 LEU  QD1   148 TYR  QD       5.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 125, 126, 127,
 igr2=2095,2104,
 &end
#
#   9 LEU  QD1   148 TYR  QD       5.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 125, 126, 127,
 igr2=2095,2104,
 &end
#
#   9 LEU  QD1   148 TYR  QD       5.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 125, 126, 127,
 igr2=2095,2104,
 &end
#
#   9 LEU  QD2     9 LEU  QD1      3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 129, 130, 131,
 igr2= 125, 126, 127,
 &end
#
#   9 LEU  QD2    10 VAL  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 129, 130, 131,
 &end
#
#   9 LEU  QD2    10 VAL  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 129, 130, 131,
 &end
#
#   9 LEU  QD2    10 VAL  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 129, 130, 131,
 &end
#
#   9 LEU  QD2   148 TYR  QD       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 129, 130, 131,
 igr2=2095,2104,
 &end
#
#   9 LEU  QD2   148 TYR  QD       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 129, 130, 131,
 igr2=2095,2104,
 &end
#
#   9 LEU  QD2   148 TYR  QD       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 129, 130, 131,
 igr2=2095,2104,
 &end
#
#   9 LEU  QD2   149 ALA  HA       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 129, 130, 131,
 &end
#
#   9 LEU  QD2   149 ALA  HA       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 129, 130, 131,
 &end
#
#   9 LEU  QD2   149 ALA  HA       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 129, 130, 131,
 &end
#
#   9 LEU  QD2   149 ALA  QB       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 129, 130, 131,
 igr2=2112,2113,2114,
 &end
#
#   9 LEU  QD2   149 ALA  QB       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 129, 130, 131,
 igr2=2112,2113,2114,
 &end
#
#   9 LEU  QD2   149 ALA  QB       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 129, 130, 131,
 igr2=2112,2113,2114,
 &end
#
#   9 LEU  QD2   150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 129, 130, 131,
 &end
#
#   9 LEU  QD2   150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 129, 130, 131,
 &end
#
#   9 LEU  QD2   150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 129, 130, 131,
 &end
#
#  10 VAL  HN     10 VAL  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 137, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  10 VAL  HN     10 VAL  HB       4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 139, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  10 VAL  HN     10 VAL  QG1      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 141, 142, 143,
 &end
#
#  10 VAL  HN     10 VAL  QG1      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 141, 142, 143,
 &end
#
#  10 VAL  HN     10 VAL  QG1      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 141, 142, 143,
 &end
#
#  10 VAL  HN     10 VAL  QG2      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 145, 146, 147,
 &end
#
#  10 VAL  HN     10 VAL  QG2      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 145, 146, 147,
 &end
#
#  10 VAL  HN     10 VAL  QG2      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 145, 146, 147,
 &end
#
#  10 VAL  HN     11 THR  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 151, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  10 VAL  HN     11 THR  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 151, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  10 VAL  HN     11 THR  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 151, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  10 VAL  HN     11 THR  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 151, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  10 VAL  HN     11 THR  HB       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 155, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  10 VAL  HN     11 THR  HB       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 155, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  10 VAL  HN     11 THR  HB       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 155, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  10 VAL  HN     15 VAL  HA       5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 201, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  10 VAL  HN     15 VAL  HA       5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 201, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  10 VAL  HN     15 VAL  HA       5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 201, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  10 VAL  HN     16 GLY  HN       5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 215, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  10 VAL  HN     16 GLY  HN       5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 215, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  10 VAL  HN     16 GLY  HN       5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 215, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  10 VAL  HN    148 TYR  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2089, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  10 VAL  HN    148 TYR  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2089, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  10 VAL  HN    148 TYR  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2089, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  10 VAL  HN    149 ALA  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2108, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  10 VAL  HN    149 ALA  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2108, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  10 VAL  HN    149 ALA  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2108, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  10 VAL  HN    149 ALA  HA       4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2110, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  10 VAL  HN    149 ALA  HA       4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2110, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  10 VAL  HN    149 ALA  HA       4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2110, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  10 VAL  HN    149 ALA  QB       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=2112,2113,2114,
 &end
#
#  10 VAL  HN    149 ALA  QB       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=2112,2113,2114,
 &end
#
#  10 VAL  HN    149 ALA  QB       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=2112,2113,2114,
 &end
#
#  10 VAL  HN    150 CYX  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 VAL  HN    150 CYX  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 VAL  HN    150 CYX  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 VAL  HN    150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  10 VAL  HN    150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  10 VAL  HN    150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 135,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  10 VAL  HA     10 VAL  HB       4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 139, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  10 VAL  HA     10 VAL  QG1      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 141, 142, 143,
 &end
#
#  10 VAL  HA     10 VAL  QG1      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 141, 142, 143,
 &end
#
#  10 VAL  HA     10 VAL  QG1      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 141, 142, 143,
 &end
#
#  10 VAL  HA     10 VAL  QG2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 145, 146, 147,
 &end
#
#  10 VAL  HA     10 VAL  QG2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 145, 146, 147,
 &end
#
#  10 VAL  HA     10 VAL  QG2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 145, 146, 147,
 &end
#
#  10 VAL  HA     11 THR  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 151, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  10 VAL  HA     11 THR  HN       3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 151, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  10 VAL  HA     11 THR  HN       3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 151, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  10 VAL  HA     11 THR  HN       3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 151, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  10 VAL  HA     12 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 165, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  10 VAL  HA     12 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 165, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  10 VAL  HA     12 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 165, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  10 VAL  HA     14 GLY  HN       5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 192, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  10 VAL  HA     14 GLY  HN       5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 192, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  10 VAL  HA     14 GLY  HN       5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 192, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  10 VAL  HA     15 VAL  HA       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 201, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  10 VAL  HA     15 VAL  HA       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 201, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  10 VAL  HA     15 VAL  HA       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 201, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  10 VAL  HA     15 VAL  QG1      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 205, 206, 207,
 &end
#
#  10 VAL  HA     15 VAL  QG1      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 205, 206, 207,
 &end
#
#  10 VAL  HA     15 VAL  QG1      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 205, 206, 207,
 &end
#
#  10 VAL  HA     16 GLY  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 215, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  10 VAL  HA     16 GLY  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 215, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  10 VAL  HA     16 GLY  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 215, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  10 VAL  HB     11 THR  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 151, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  10 VAL  HB     11 THR  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 151, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  10 VAL  HB     11 THR  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 151, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  10 VAL  HB     11 THR  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 151, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  10 VAL  HB     14 GLY  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 192, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  10 VAL  HB     14 GLY  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 192, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  10 VAL  HB     14 GLY  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 192, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  10 VAL  HB     15 VAL  HA       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 201, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  10 VAL  HB     15 VAL  HA       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 201, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  10 VAL  HB     15 VAL  HA       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 201, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  10 VAL  HB     67 ALA  QB       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 945, 946, 947,
 &end
#
#  10 VAL  HB     67 ALA  QB       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 945, 946, 947,
 &end
#
#  10 VAL  HB     67 ALA  QB       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 945, 946, 947,
 &end
#
#  10 VAL  QG1    10 VAL  HB       4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    10 VAL  QG2      3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 141, 142, 143,
 igr2= 145, 146, 147,
 &end
#
#  10 VAL  QG1    15 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    15 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    15 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    15 VAL  HA       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    15 VAL  HA       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    15 VAL  HA       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    16 GLY  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    16 GLY  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    16 GLY  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    17 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    55 CYX  HB2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    55 CYX  HB2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    55 CYX  HB2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    55 CYX  HB3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    55 CYX  HB3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1    55 CYX  HB3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   149 ALA  HA       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   149 ALA  HA       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   149 ALA  HA       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HB3      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2122, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HB3      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2122, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG1   150 CYX  HB3      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2122, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 141, 142, 143,
 &end
#
#  10 VAL  QG2    10 VAL  HB       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    11 THR  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    11 THR  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    11 THR  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    11 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    11 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    11 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    12 ALA  HN       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    12 ALA  HN       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    12 ALA  HN       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    15 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    15 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    15 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    55 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    55 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    55 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    66 ALA  HA       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    66 ALA  HA       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    66 ALA  HA       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    66 ALA  QB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 145, 146, 147,
 igr2= 935, 936, 937,
 &end
#
#  10 VAL  QG2    66 ALA  QB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 145, 146, 147,
 igr2= 935, 936, 937,
 &end
#
#  10 VAL  QG2    66 ALA  QB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 145, 146, 147,
 igr2= 935, 936, 937,
 &end
#
#  10 VAL  QG2    67 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    67 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    67 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2    67 ALA  QB       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 145, 146, 147,
 igr2= 945, 946, 947,
 &end
#
#  10 VAL  QG2    67 ALA  QB       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 145, 146, 147,
 igr2= 945, 946, 947,
 &end
#
#  10 VAL  QG2    67 ALA  QB       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 145, 146, 147,
 igr2= 945, 946, 947,
 &end
#
#  10 VAL  QG2   147 ARG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   147 ARG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   147 ARG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   147 ARG  HA       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   147 ARG  HA       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   147 ARG  HA       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   147 ARG  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 145, 146, 147,
 igr2=2073,2074,
 &end
#
#  10 VAL  QG2   147 ARG  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 145, 146, 147,
 igr2=2073,2074,
 &end
#
#  10 VAL  QG2   147 ARG  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 145, 146, 147,
 igr2=2073,2074,
 &end
#
#  10 VAL  QG2   148 TYR  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   148 TYR  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   148 TYR  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   148 TYR  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2089, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   148 TYR  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2089, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   148 TYR  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2089, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   149 ALA  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   149 ALA  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   149 ALA  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   149 ALA  HA       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   149 ALA  HA       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   149 ALA  HA       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HB2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HB2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HB2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HB3      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2122, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HB3      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2122, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 145, 146, 147,
 &end
#
#  10 VAL  QG2   150 CYX  HB3      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2122, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 145, 146, 147,
 &end
#
#  11 THR  HN     11 THR  HA       3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 153, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  11 THR  HN     11 THR  QG2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 157, 158, 159,
 &end
#
#  11 THR  HN     11 THR  QG2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 157, 158, 159,
 &end
#
#  11 THR  HN     11 THR  QG2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 157, 158, 159,
 &end
#
#  11 THR  HN     12 ALA  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  11 THR  HN     12 ALA  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  11 THR  HN     12 ALA  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  11 THR  HN     12 ALA  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  11 THR  HN     12 ALA  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 167, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  11 THR  HN     12 ALA  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 167, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  11 THR  HN     12 ALA  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 167, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  11 THR  HN     13 GLN  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 175, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  11 THR  HN     13 GLN  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 175, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  11 THR  HN     13 GLN  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 175, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  11 THR  HN     13 GLN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 180, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  11 THR  HN     13 GLN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 180, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  11 THR  HN     13 GLN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 180, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  11 THR  HN     14 GLY  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 192, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  11 THR  HN     14 GLY  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 192, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  11 THR  HN     14 GLY  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 192, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  11 THR  HN     15 VAL  HA       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 201, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  11 THR  HN     15 VAL  HA       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 201, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  11 THR  HN     15 VAL  HA       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 201, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  11 THR  HN     57 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 806, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  11 THR  HN     57 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 806, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  11 THR  HN     57 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 806, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  11 THR  HN     57 PRO  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 808, 809,
 &end
#
#  11 THR  HN     57 PRO  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 808, 809,
 &end
#
#  11 THR  HN     57 PRO  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 808, 809,
 &end
#
#  11 THR  HA     12 ALA  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  11 THR  HA     12 ALA  HN       3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  11 THR  HA     12 ALA  HN       3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  11 THR  HA     12 ALA  HN       3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  11 THR  HA     13 GLN  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 175, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  11 THR  HA     13 GLN  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 175, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  11 THR  HA     13 GLN  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 175, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  11 THR  HB     12 ALA  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 165, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  11 THR  HB    148 TYR  HA       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 155,2089, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  11 THR  HB    148 TYR  HA       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 155,2089, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  11 THR  HB    148 TYR  HA       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 155,2089, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  11 THR  QG2    11 THR  HB       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    12 ALA  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    12 ALA  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    12 ALA  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    12 ALA  QB       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 157, 158, 159,
 igr2= 169, 170, 171,
 &end
#
#  11 THR  QG2    12 ALA  QB       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 157, 158, 159,
 igr2= 169, 170, 171,
 &end
#
#  11 THR  QG2    12 ALA  QB       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 157, 158, 159,
 igr2= 169, 170, 171,
 &end
#
#  11 THR  QG2    13 GLN  HN       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    13 GLN  HN       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    13 GLN  HN       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    13 GLN  HNE1     5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    13 GLN  HNE1     5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    13 GLN  HNE1     5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    14 GLY  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    14 GLY  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    14 GLY  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 157, 158, 159,
 &end
#
#  12 ALA  HN     12 ALA  QB       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 169, 170, 171,
 &end
#
#  12 ALA  HN     12 ALA  QB       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 169, 170, 171,
 &end
#
#  12 ALA  HN     12 ALA  QB       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 169, 170, 171,
 &end
#
#  12 ALA  HN     13 GLN  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 175, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  12 ALA  HN     13 GLN  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 175, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  12 ALA  HN     13 GLN  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 175, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  12 ALA  HN     13 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  12 ALA  HN     13 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  12 ALA  HN     13 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  12 ALA  HN     13 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 187, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  12 ALA  HN     13 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 187, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  12 ALA  HN     13 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 187, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  12 ALA  HN     14 GLY  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 192, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  12 ALA  HN     14 GLY  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 192, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  12 ALA  HN     14 GLY  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 192, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  12 ALA  HN     57 PRO  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 808, 809,
 &end
#
#  12 ALA  HN     57 PRO  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 808, 809,
 &end
#
#  12 ALA  HN     57 PRO  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 808, 809,
 &end
#
#  12 ALA  HA     12 ALA  QB       3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 169, 170, 171,
 &end
#
#  12 ALA  HA     13 GLN  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 175, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  12 ALA  HA     13 GLN  HNE1     5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 187, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  12 ALA  HA     13 GLN  HNE1     5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 187, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  12 ALA  HA     13 GLN  HNE1     5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 187, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  12 ALA  HA     14 GLY  HN       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 192, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  12 ALA  HA     14 GLY  HN       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 192, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  12 ALA  HA     14 GLY  HN       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 192, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  12 ALA  HA     57 PRO  HB2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 811, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  12 ALA  HA     57 PRO  HB2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 811, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  12 ALA  HA     57 PRO  HB2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 811, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  12 ALA  HA     57 PRO  HB3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 812, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  12 ALA  HA     57 PRO  HB3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 812, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  12 ALA  HA     57 PRO  HB3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 812, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  12 ALA  HA     57 PRO  QG       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 808, 809,
 &end
#
#  12 ALA  HA     57 PRO  QG       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 808, 809,
 &end
#
#  12 ALA  HA     57 PRO  QG       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 808, 809,
 &end
#
#  12 ALA  HA     64 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 905, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  12 ALA  HA     64 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 905, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  12 ALA  HA     64 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 905, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  12 ALA  HA     64 ALA  QB       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 909, 910, 911,
 &end
#
#  12 ALA  HA     64 ALA  QB       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 909, 910, 911,
 &end
#
#  12 ALA  HA     64 ALA  QB       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 909, 910, 911,
 &end
#
#  12 ALA  HA     66 ALA  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 931, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  12 ALA  HA     66 ALA  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 931, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  12 ALA  HA     66 ALA  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 931, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  12 ALA  QB     13 GLN  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HNE1     4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HNE1     4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HNE1     4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HNE2     5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HNE2     5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     13 GLN  HNE2     5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     14 GLY  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     14 GLY  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     14 GLY  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     66 ALA  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     66 ALA  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 169, 170, 171,
 &end
#
#  12 ALA  QB     66 ALA  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 169, 170, 171,
 &end
#
#  13 GLN  HN     13 GLN  HA       3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 177, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  13 GLN  HN     13 GLN  HB2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 179, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  13 GLN  HN     13 GLN  HB2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 179, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  13 GLN  HN     13 GLN  HB2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 179, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  13 GLN  HN     13 GLN  HB3      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 180, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  13 GLN  HN     13 GLN  HB3      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 180, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  13 GLN  HN     13 GLN  HB3      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 180, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  13 GLN  HN     13 GLN  HG2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 182, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  13 GLN  HN     13 GLN  HG2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 182, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  13 GLN  HN     13 GLN  HG2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 182, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  13 GLN  HN     13 GLN  HG3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 183, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  13 GLN  HN     13 GLN  HG3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 183, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  13 GLN  HN     13 GLN  HG3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 183, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  13 GLN  HN     14 GLY  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 192, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  13 GLN  HN     14 GLY  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 192, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  13 GLN  HN     14 GLY  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 192, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  13 GLN  HN     14 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 194, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HN     14 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 194, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HN     14 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 194, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HN     14 GLY  HA3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 195, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  13 GLN  HN     14 GLY  HA3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 195, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  13 GLN  HN     14 GLY  HA3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 195, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  13 GLN  HA     13 GLN  HB2      4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  13 GLN  HA     13 GLN  HB3      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 180, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  13 GLN  HA     13 GLN  HNE1     4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 187, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  13 GLN  HA     13 GLN  HNE1     4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 187, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  13 GLN  HA     13 GLN  HNE1     4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 187, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  13 GLN  HA     13 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 188, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HA     13 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 188, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HA     13 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 188, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HA     13 GLN  HG2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  13 GLN  HA     13 GLN  HG2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  13 GLN  HA     13 GLN  HG2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  13 GLN  HA     13 GLN  HG3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 183, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  13 GLN  HA     13 GLN  HG3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 183, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  13 GLN  HA     13 GLN  HG3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 183, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  13 GLN  HA     14 GLY  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 192, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  13 GLN  HA     57 PRO  QG       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 808, 809,
 &end
#
#  13 GLN  HA     57 PRO  QG       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 808, 809,
 &end
#
#  13 GLN  HA     57 PRO  QG       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 808, 809,
 &end
#
#  13 GLN  HB2    13 GLN  HNE1     4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 187, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  13 GLN  HB2    13 GLN  HNE1     4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 187, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  13 GLN  HB2    13 GLN  HNE1     4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 187, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  13 GLN  HB2    13 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 188, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HB2    13 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 188, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HB2    13 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 188, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HB3    13 GLN  HB2      3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 179, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  13 GLN  HB3    13 GLN  HNE1     4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 187, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  13 GLN  HB3    13 GLN  HNE1     4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 187, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  13 GLN  HB3    13 GLN  HNE1     4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 187, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  13 GLN  HB3    14 GLY  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 192, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  13 GLN  HB3    14 GLY  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 192, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  13 GLN  HB3    14 GLY  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 192, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  13 GLN  HNE1   13 GLN  HNE2     2.64
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 188, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
#  13 GLN  HG2    13 GLN  HNE1     4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  13 GLN  HG2    13 GLN  HNE1     4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  13 GLN  HG2    13 GLN  HNE1     4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  13 GLN  HG2    13 GLN  HNE2     5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 188, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  13 GLN  HG2    14 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 192, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HG2    14 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 192, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HG2    14 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 192, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  13 GLN  HG3    13 GLN  HNE1     4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  13 GLN  HG3    13 GLN  HNE1     4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  13 GLN  HG3    13 GLN  HNE1     4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  13 GLN  HG3    13 GLN  HNE2     5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 188, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  13 GLN  HG3    13 GLN  HG2      3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 182, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
#  14 GLY  HN     14 GLY  HA2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 194, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  14 GLY  HN     14 GLY  HA3      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 195, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  14 GLY  HN     15 VAL  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  14 GLY  HN     15 VAL  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  14 GLY  HN     15 VAL  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  14 GLY  HN     57 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  14 GLY  HN     57 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  14 GLY  HN     57 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  14 GLY  HN     57 PRO  QG       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 808, 809,
 &end
#
#  14 GLY  HN     57 PRO  QG       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 808, 809,
 &end
#
#  14 GLY  HN     57 PRO  QG       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 808, 809,
 &end
#
#  14 GLY  HA2    14 GLY  HA3      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 195, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  14 GLY  HA2    15 VAL  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  14 GLY  HA2    15 VAL  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  14 GLY  HA2    15 VAL  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  14 GLY  HA2    15 VAL  HA       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 201, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  14 GLY  HA2    15 VAL  HA       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 201, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  14 GLY  HA2    15 VAL  HA       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 201, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  14 GLY  HA2    15 VAL  QG2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2= 209, 210, 211,
 &end
#
#  14 GLY  HA2    15 VAL  QG2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2= 209, 210, 211,
 &end
#
#  14 GLY  HA2    15 VAL  QG2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2= 209, 210, 211,
 &end
#
#  14 GLY  HA2    56 GLN  HA       6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 789, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  14 GLY  HA2    56 GLN  HA       6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 789, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  14 GLY  HA2    56 GLN  HA       6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 789, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  14 GLY  HA2    57 PRO  HD3      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 806, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  14 GLY  HA2    57 PRO  HD3      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 806, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  14 GLY  HA2    57 PRO  HD3      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 806, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  14 GLY  HA2    57 PRO  QG       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 808, 809,
 &end
#
#  14 GLY  HA2    57 PRO  QG       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 808, 809,
 &end
#
#  14 GLY  HA2    57 PRO  QG       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 808, 809,
 &end
#
#  14 GLY  HA3    15 VAL  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 199, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  14 GLY  HA3    15 VAL  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 199, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  14 GLY  HA3    15 VAL  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 199, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  14 GLY  HA3    15 VAL  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 201, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  14 GLY  HA3    15 VAL  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 201, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  14 GLY  HA3    15 VAL  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 201, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  14 GLY  HA3    15 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 203, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  14 GLY  HA3    15 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 203, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  14 GLY  HA3    15 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 203, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  14 GLY  HA3    15 VAL  QG2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 209, 210, 211,
 &end
#
#  14 GLY  HA3    15 VAL  QG2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 209, 210, 211,
 &end
#
#  14 GLY  HA3    15 VAL  QG2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 209, 210, 211,
 &end
#
#  15 VAL  HN     15 VAL  HA       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  15 VAL  HN     15 VAL  HB       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  15 VAL  HN     15 VAL  HB       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  15 VAL  HN     15 VAL  HB       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  15 VAL  HN     15 VAL  QG1      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 205, 206, 207,
 &end
#
#  15 VAL  HN     15 VAL  QG1      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 205, 206, 207,
 &end
#
#  15 VAL  HN     15 VAL  QG1      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 205, 206, 207,
 &end
#
#  15 VAL  HN     15 VAL  QG2      3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 209, 210, 211,
 &end
#
#  15 VAL  HN     15 VAL  QG2      3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 209, 210, 211,
 &end
#
#  15 VAL  HN     15 VAL  QG2      3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 209, 210, 211,
 &end
#
#  15 VAL  HN     16 GLY  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  15 VAL  HN     16 GLY  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  15 VAL  HN     16 GLY  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  15 VAL  HN     55 CYX  HB2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 782, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  15 VAL  HN     55 CYX  HB2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 782, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  15 VAL  HN     55 CYX  HB2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 782, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  15 VAL  HN     56 GLN  HNE1     5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 799, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  15 VAL  HN     56 GLN  HNE1     5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 799, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  15 VAL  HN     56 GLN  HNE1     5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 799, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  15 VAL  HN     56 GLN  HNE2     6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 800, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  15 VAL  HN     56 GLN  HNE2     6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 800, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  15 VAL  HN     56 GLN  HNE2     6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 800, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  15 VAL  HN     57 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  15 VAL  HN     57 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  15 VAL  HN     57 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  15 VAL  HN     57 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 806, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  15 VAL  HN     57 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 806, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  15 VAL  HN     57 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 806, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  15 VAL  HA     15 VAL  HB       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  15 VAL  HA     15 VAL  QG1      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 205, 206, 207,
 &end
#
#  15 VAL  HA     15 VAL  QG1      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 205, 206, 207,
 &end
#
#  15 VAL  HA     15 VAL  QG1      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 205, 206, 207,
 &end
#
#  15 VAL  HA     15 VAL  QG2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 209, 210, 211,
 &end
#
#  15 VAL  HA     15 VAL  QG2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 209, 210, 211,
 &end
#
#  15 VAL  HA     15 VAL  QG2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 209, 210, 211,
 &end
#
#  15 VAL  HA     16 GLY  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 215, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  15 VAL  HA     16 GLY  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 215, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  15 VAL  HA     16 GLY  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 215, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  15 VAL  HA     16 GLY  HA3      5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 218, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  15 VAL  HA     16 GLY  HA3      5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 218, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  15 VAL  HA     16 GLY  HA3      5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 218, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  15 VAL  HB     16 GLY  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 215, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  15 VAL  HB     16 GLY  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 215, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  15 VAL  HB     16 GLY  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 215, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  15 VAL  HB     56 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 799, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  15 VAL  HB     56 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 799, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  15 VAL  HB     56 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 799, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  15 VAL  HB     56 GLN  HNE2     5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 800, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  15 VAL  HB     56 GLN  HNE2     5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 800, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  15 VAL  HB     56 GLN  HNE2     5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 800, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  15 VAL  QG1    15 VAL  HB       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    16 GLY  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    16 GLY  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    16 GLY  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    55 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    55 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    55 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    56 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    56 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    56 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    56 GLN  HNE2     5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    56 GLN  HNE2     5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG1    56 GLN  HNE2     5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 205, 206, 207,
 &end
#
#  15 VAL  QG2    15 VAL  HB       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    16 GLY  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    16 GLY  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    16 GLY  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    55 CYX  HB2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    55 CYX  HB2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    55 CYX  HB2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    55 CYX  HB3      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    55 CYX  HB3      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    55 CYX  HB3      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    56 GLN  HA       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    56 GLN  HA       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    56 GLN  HA       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    56 GLN  HNE1     4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    56 GLN  HNE1     4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    56 GLN  HNE1     4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    56 GLN  HNE2     4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    56 GLN  HNE2     4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 209, 210, 211,
 &end
#
#  15 VAL  QG2    56 GLN  HNE2     4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 209, 210, 211,
 &end
#
#  16 GLY  HN     16 GLY  HA2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  16 GLY  HN     16 GLY  HA3      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 218, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  16 GLY  HN     17 GLN  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 222, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  16 GLY  HN     17 GLN  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 222, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  16 GLY  HN     17 GLN  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 222, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  16 GLY  HA2    17 GLN  HN       3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 222, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  16 GLY  HA2    17 GLN  HN       3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 222, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  16 GLY  HA2    17 GLN  HN       3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 222, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  16 GLY  HA2    17 GLN  QB       5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 226, 227,
 &end
#
#  16 GLY  HA2    17 GLN  QB       5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 226, 227,
 &end
#
#  16 GLY  HA2    17 GLN  QB       5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 226, 227,
 &end
#
#  16 GLY  HA3    16 GLY  HA2      3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 217, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  16 GLY  HA3    17 GLN  HN       3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  16 GLY  HA3    17 GLN  HN       3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  16 GLY  HA3    17 GLN  HN       3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  16 GLY  HA3    17 GLN  QB       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 226, 227,
 &end
#
#  16 GLY  HA3    17 GLN  QB       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 226, 227,
 &end
#
#  16 GLY  HA3    17 GLN  QB       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 226, 227,
 &end
#
#  17 GLN  HN     17 GLN  HA       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 224, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  17 GLN  HN     17 GLN  HG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 229, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  17 GLN  HN     17 GLN  HG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 229, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  17 GLN  HN     17 GLN  HG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 229, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  17 GLN  HN     17 GLN  HG3      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 230, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  17 GLN  HN     17 GLN  HG3      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 230, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  17 GLN  HN     17 GLN  HG3      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 230, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  17 GLN  HN     17 GLN  QB       3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 226, 227,
 &end
#
#  17 GLN  HN     17 GLN  QB       3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 226, 227,
 &end
#
#  17 GLN  HN     17 GLN  QB       3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 226, 227,
 &end
#
#  17 GLN  HA     17 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 234, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  17 GLN  HA     17 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 234, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  17 GLN  HA     17 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 234, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  17 GLN  HA     17 GLN  HG2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 229, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  17 GLN  HA     17 GLN  HG3      4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 230, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  17 GLN  HA     17 GLN  QB       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 226, 227,
 &end
#
#  17 GLN  HA     18 SER  HN       2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 239, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  17 GLN  HA     18 SER  HN       2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 239, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  17 GLN  HA     18 SER  HN       2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 239, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  17 GLN  HA     18 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 241, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  17 GLN  HA     18 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 241, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  17 GLN  HA     18 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 241, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  17 GLN  HA     18 SER  HB3      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 244, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  17 GLN  HA     18 SER  HB3      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 244, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  17 GLN  HA     18 SER  HB3      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 244, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  17 GLN  HNE1   17 GLN  HNE2     2.64
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 235, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
#  17 GLN  HNE1   18 SER  HA       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 241, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  17 GLN  HNE1   18 SER  HA       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 241, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  17 GLN  HNE1   18 SER  HA       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 241, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  17 GLN  HNE2   19 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 256, 257, 258,
 &end
#
#  17 GLN  HNE2   19 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 256, 257, 258,
 &end
#
#  17 GLN  HNE2   19 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 256, 257, 258,
 &end
#
#  17 GLN  HG2    17 GLN  HNE1     5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 234, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  17 GLN  HG2    17 GLN  HNE2     4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 235, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  17 GLN  HG3    17 GLN  HNE1     5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 234, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  17 GLN  HG3    17 GLN  HNE2     5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  17 GLN  HG3    17 GLN  HG2      3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 229, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  17 GLN  HG3    18 SER  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 239, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  17 GLN  HG3    18 SER  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 239, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  17 GLN  HG3    18 SER  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 239, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  17 GLN  QB     17 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     17 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     17 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     17 GLN  HG3      3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     18 SER  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     18 SER  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     18 SER  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     18 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     18 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     18 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     18 SER  HB3      5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     18 SER  HB3      5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 226, 227,
 &end
#
#  17 GLN  QB     18 SER  HB3      5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 226, 227,
 &end
#
#  18 SER  HN     18 SER  HA       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 241, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  18 SER  HN     18 SER  HB2      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 243, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  18 SER  HN     18 SER  HB2      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 243, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  18 SER  HN     18 SER  HB2      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 243, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  18 SER  HN     18 SER  HB3      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 244, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  18 SER  HN     18 SER  HB3      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 244, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  18 SER  HN     18 SER  HB3      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 244, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  18 SER  HA     18 SER  HB2      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 243, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  18 SER  HA     18 SER  HB3      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 244, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  18 SER  HA     19 ILE  HN       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 250, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  18 SER  HA     19 ILE  HN       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 250, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  18 SER  HA     19 ILE  HN       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 250, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  18 SER  HA     19 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 254, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  18 SER  HA     19 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 254, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  18 SER  HA     19 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 254, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  18 SER  HA     19 ILE  QG2      5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 256, 257, 258,
 &end
#
#  18 SER  HA     19 ILE  QG2      5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 256, 257, 258,
 &end
#
#  18 SER  HA     19 ILE  QG2      5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 256, 257, 258,
 &end
#
#  18 SER  HA     20 GLY  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 269, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  18 SER  HA     20 GLY  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 269, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  18 SER  HA     20 GLY  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 269, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  18 SER  HB2    18 SER  HB3      3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 244, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  18 SER  HB2    19 ILE  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 250, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  18 SER  HB2    19 ILE  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 250, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  18 SER  HB2    19 ILE  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 250, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  18 SER  HB2    20 GLY  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 269, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  18 SER  HB2    20 GLY  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 269, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  18 SER  HB2    20 GLY  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 269, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  18 SER  HB3    19 ILE  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 250, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  18 SER  HB3    19 ILE  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 250, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  18 SER  HB3    19 ILE  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 250, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  19 ILE  HN     19 ILE  HA       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 252, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  19 ILE  HN     19 ILE  HB       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 254, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  19 ILE  HN     19 ILE  HG12     4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 260, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  19 ILE  HN     19 ILE  HG12     4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 260, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  19 ILE  HN     19 ILE  HG12     4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 260, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  19 ILE  HN     19 ILE  HG13     4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 261, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  19 ILE  HN     19 ILE  HG13     4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 261, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  19 ILE  HN     19 ILE  HG13     4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 261, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  19 ILE  HN     19 ILE  QD1      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  HN     19 ILE  QD1      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  HN     19 ILE  QD1      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  HN     19 ILE  QG2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 256, 257, 258,
 &end
#
#  19 ILE  HN     19 ILE  QG2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 256, 257, 258,
 &end
#
#  19 ILE  HN     19 ILE  QG2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 256, 257, 258,
 &end
#
#  19 ILE  HN     20 GLY  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 269, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  19 ILE  HN     20 GLY  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 269, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  19 ILE  HN     20 GLY  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 269, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  19 ILE  HA     19 ILE  HB       3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  19 ILE  HA     19 ILE  HG12     3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 260, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  19 ILE  HA     19 ILE  HG12     3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 260, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  19 ILE  HA     19 ILE  HG12     3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 260, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  19 ILE  HA     19 ILE  QD1      5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  HA     19 ILE  QD1      5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  HA     19 ILE  QD1      5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  HA     19 ILE  QG2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 256, 257, 258,
 &end
#
#  19 ILE  HA     19 ILE  QG2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 256, 257, 258,
 &end
#
#  19 ILE  HA     19 ILE  QG2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 256, 257, 258,
 &end
#
#  19 ILE  HA     20 GLY  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 269, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  19 ILE  HB     19 ILE  HG12     4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 260, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  19 ILE  HB     19 ILE  HG13     4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 261, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  19 ILE  HB     19 ILE  QD1      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  HB     19 ILE  QD1      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  HB     19 ILE  QD1      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  HB     20 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 269, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  19 ILE  HB     20 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 269, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  19 ILE  HB     20 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 269, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  19 ILE  HB     20 GLY  HA2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  19 ILE  HB     20 GLY  HA2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  19 ILE  HB     20 GLY  HA2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  19 ILE  HG12   19 ILE  HG13     4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 261, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  19 ILE  HG12   20 GLY  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 269, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  19 ILE  HG12   20 GLY  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 269, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  19 ILE  HG12   20 GLY  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 269, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  19 ILE  HG12   38 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 536, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  19 ILE  HG12   38 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 536, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  19 ILE  HG12   38 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 536, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  19 ILE  HG13   19 ILE  QD1      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  QD1    19 ILE  HG12     4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 263, 264, 265,
 &end
#
#  19 ILE  QD1    20 GLY  HN       5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 263, 264, 265,
 &end
#
#  19 ILE  QD1    20 GLY  HN       5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 263, 264, 265,
 &end
#
#  19 ILE  QD1    20 GLY  HN       5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 263, 264, 265,
 &end
#
#  19 ILE  QD1    20 GLY  HA2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 263, 264, 265,
 &end
#
#  19 ILE  QD1    20 GLY  HA2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 263, 264, 265,
 &end
#
#  19 ILE  QD1    20 GLY  HA2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 263, 264, 265,
 &end
#
#  19 ILE  QD1    38 LYS  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 263, 264, 265,
 &end
#
#  19 ILE  QD1    38 LYS  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 263, 264, 265,
 &end
#
#  19 ILE  QD1    38 LYS  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 263, 264, 265,
 &end
#
#  19 ILE  QG2    19 ILE  HB       3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 256, 257, 258,
 &end
#
#  19 ILE  QG2    19 ILE  HG13     3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 256, 257, 258,
 &end
#
#  19 ILE  QG2    19 ILE  HG13     3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 256, 257, 258,
 &end
#
#  19 ILE  QG2    19 ILE  HG13     3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 256, 257, 258,
 &end
#
#  19 ILE  QG2    19 ILE  QD1      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 256, 257, 258,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  QG2    19 ILE  QD1      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 256, 257, 258,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  QG2    19 ILE  QD1      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 256, 257, 258,
 igr2= 263, 264, 265,
 &end
#
#  19 ILE  QG2    20 GLY  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 256, 257, 258,
 &end
#
#  19 ILE  QG2    20 GLY  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 256, 257, 258,
 &end
#
#  19 ILE  QG2    20 GLY  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 256, 257, 258,
 &end
#
#  20 GLY  HN     20 GLY  HA2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  20 GLY  HN     20 GLY  HA3      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 272, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  20 GLY  HN     21 THR  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 276, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  20 GLY  HN     37 LEU  QD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 532,
 &end
#
#  20 GLY  HN     37 LEU  QD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 532,
 &end
#
#  20 GLY  HN     37 LEU  QD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 532,
 &end
#
#  20 GLY  HA2    21 THR  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 276, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  20 GLY  HA2    21 THR  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 276, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  20 GLY  HA2    21 THR  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 276, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  20 GLY  HA2    21 THR  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 276, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  20 GLY  HA2    21 THR  QG2      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 282, 283, 284,
 &end
#
#  20 GLY  HA2    21 THR  QG2      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 282, 283, 284,
 &end
#
#  20 GLY  HA2    21 THR  QG2      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 282, 283, 284,
 &end
#
#  20 GLY  HA2    36 HID  HD2      6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 513, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  20 GLY  HA2    36 HID  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 510, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  20 GLY  HA2    36 HID  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 510, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  20 GLY  HA2    36 HID  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 510, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  20 GLY  HA2    37 LEU  HB3      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 522, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  20 GLY  HA2    37 LEU  HB3      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 522, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  20 GLY  HA2    37 LEU  HB3      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 522, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  20 GLY  HA2    37 LEU  HG       5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 524, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  20 GLY  HA2    37 LEU  HG       5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 524, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  20 GLY  HA2    37 LEU  HG       5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 524, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  20 GLY  HA2    37 LEU  QD1      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 526, 527, 528,
 &end
#
#  20 GLY  HA2    37 LEU  QD1      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 526, 527, 528,
 &end
#
#  20 GLY  HA2    37 LEU  QD1      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 526, 527, 528,
 &end
#
#  20 GLY  HA2    37 LEU  QD2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 530, 531, 532,
 &end
#
#  20 GLY  HA2    37 LEU  QD2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 530, 531, 532,
 &end
#
#  20 GLY  HA2    37 LEU  QD2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 530, 531, 532,
 &end
#
#  20 GLY  HA2    38 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 549, 550,
 &end
#
#  20 GLY  HA2    38 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 549, 550,
 &end
#
#  20 GLY  HA2    38 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 549, 550,
 &end
#
#  20 GLY  HA3    20 GLY  HA2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 271, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  20 GLY  HA3    21 THR  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 276, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  20 GLY  HA3    21 THR  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 276, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  20 GLY  HA3    21 THR  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 276, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  20 GLY  HA3    21 THR  QG2      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2= 282, 283, 284,
 &end
#
#  20 GLY  HA3    21 THR  QG2      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2= 282, 283, 284,
 &end
#
#  20 GLY  HA3    21 THR  QG2      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2= 282, 283, 284,
 &end
#
#  20 GLY  HA3    37 LEU  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 519, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  20 GLY  HA3    37 LEU  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 519, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  20 GLY  HA3    37 LEU  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 519, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  20 GLY  HA3    37 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 524, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  20 GLY  HA3    37 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 524, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  20 GLY  HA3    37 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 524, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  20 GLY  HA3    37 LEU  QD2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 530, 531, 532,
 &end
#
#  20 GLY  HA3    37 LEU  QD2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 530, 531, 532,
 &end
#
#  20 GLY  HA3    37 LEU  QD2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 530, 531, 532,
 &end
#
#  20 GLY  HA3    38 LYS  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 536, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  20 GLY  HA3    38 LYS  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 536, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  20 GLY  HA3    38 LYS  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 536, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  20 GLY  HA3    38 LYS  QE       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 549, 550,
 &end
#
#  20 GLY  HA3    38 LYS  QE       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 549, 550,
 &end
#
#  20 GLY  HA3    38 LYS  QE       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 549, 550,
 &end
#
#  21 THR  HN     21 THR  HA       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 278, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  21 THR  HN     21 THR  HB       5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 280, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  21 THR  HN     21 THR  QG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 282, 283, 284,
 &end
#
#  21 THR  HN     21 THR  QG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 282, 283, 284,
 &end
#
#  21 THR  HN     21 THR  QG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 282, 283, 284,
 &end
#
#  21 THR  HN     22 VAL  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 290, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  21 THR  HN     22 VAL  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 290, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  21 THR  HN     22 VAL  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 290, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  21 THR  HN     22 VAL  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 290, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  21 THR  HN     22 VAL  QQG      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  21 THR  HN     22 VAL  QQG      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  21 THR  HN     22 VAL  QQG      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  21 THR  HN     36 HID  HE1      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 510, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  21 THR  HN     36 HID  HE1      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 510, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  21 THR  HN     36 HID  HE1      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 510, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  21 THR  HN     37 LEU  HG       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 524, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  21 THR  HN     37 LEU  HG       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 524, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  21 THR  HN     37 LEU  HG       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 524, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  21 THR  HN     37 LEU  QD2      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 530, 531, 532,
 &end
#
#  21 THR  HN     37 LEU  QD2      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 530, 531, 532,
 &end
#
#  21 THR  HN     37 LEU  QD2      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 530, 531, 532,
 &end
#
#  21 THR  HA     21 THR  HB       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 280, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  21 THR  HA     21 THR  QG2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 282, 283, 284,
 &end
#
#  21 THR  HA     21 THR  QG2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 282, 283, 284,
 &end
#
#  21 THR  HA     21 THR  QG2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 282, 283, 284,
 &end
#
#  21 THR  HA     22 VAL  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 290, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  21 THR  HA     22 VAL  HN       3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 290, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  21 THR  HA     22 VAL  HN       3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 290, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  21 THR  HA     22 VAL  HN       3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 290, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  21 THR  HA     22 VAL  HB       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 294, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  21 THR  HA     22 VAL  HB       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 294, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  21 THR  HA     22 VAL  HB       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 294, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  21 THR  HA     22 VAL  QQG      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  21 THR  HA     22 VAL  QQG      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  21 THR  HA     22 VAL  QQG      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  21 THR  HA     37 LEU  QD1      5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 526, 527, 528,
 &end
#
#  21 THR  HA     37 LEU  QD1      5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 526, 527, 528,
 &end
#
#  21 THR  HA     37 LEU  QD1      5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 526, 527, 528,
 &end
#
#  21 THR  HA     37 LEU  QD2      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 530, 531, 532,
 &end
#
#  21 THR  HA     37 LEU  QD2      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 530, 531, 532,
 &end
#
#  21 THR  HA     37 LEU  QD2      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 530, 531, 532,
 &end
#
#  21 THR  HB     22 VAL  HN       3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  21 THR  HB     22 VAL  HN       3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  21 THR  HB     22 VAL  HN       3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  21 THR  HB     22 VAL  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  21 THR  HB     22 VAL  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 292, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  21 THR  HB     22 VAL  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 292, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  21 THR  HB     22 VAL  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 292, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  21 THR  QG2    21 THR  HB       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 282, 283, 284,
 &end
#
#  21 THR  QG2    22 VAL  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 282, 283, 284,
 &end
#
#  21 THR  QG2    22 VAL  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 282, 283, 284,
 &end
#
#  21 THR  QG2    22 VAL  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 282, 283, 284,
 &end
#
#  21 THR  QG2    36 HID  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 282, 283, 284,
 &end
#
#  21 THR  QG2    36 HID  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 282, 283, 284,
 &end
#
#  21 THR  QG2    36 HID  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 282, 283, 284,
 &end
#
#  22 VAL  HN     22 VAL  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 292, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  22 VAL  HN     22 VAL  HB       3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  22 VAL  HN     22 VAL  HB       3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  22 VAL  HN     22 VAL  HB       3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  22 VAL  HN     22 VAL  QQG      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  HN     22 VAL  QQG      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  HN     22 VAL  QQG      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  HN     23 VAL  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 306, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  22 VAL  HN     23 VAL  HN       5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 306, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  22 VAL  HN     23 VAL  HN       5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 306, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  22 VAL  HN     23 VAL  HN       5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 306, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  22 VAL  HN     36 HID  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  22 VAL  HN     36 HID  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  22 VAL  HN     36 HID  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  22 VAL  HN     37 LEU  QD1      5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 526, 527, 528,
 &end
#
#  22 VAL  HN     37 LEU  QD1      5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 526, 527, 528,
 &end
#
#  22 VAL  HN     37 LEU  QD1      5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 526, 527, 528,
 &end
#
#  22 VAL  HA     22 VAL  HB       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 294, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  22 VAL  HA     22 VAL  QQG      3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  HA     22 VAL  QQG      3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  HA     22 VAL  QQG      3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  HA     23 VAL  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 306, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  22 VAL  HA     23 VAL  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 306, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  22 VAL  HA     23 VAL  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 306, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  22 VAL  HA     23 VAL  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 306, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  22 VAL  HA     34 THR  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 472, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  22 VAL  HA     34 THR  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 472, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  22 VAL  HA     34 THR  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 472, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  22 VAL  HA     34 THR  HB       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 476, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  22 VAL  HA     34 THR  HB       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 476, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  22 VAL  HA     34 THR  HB       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 476, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  22 VAL  HA     36 HID  HD2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 513, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  22 VAL  HA     36 HID  HD2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 513, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  22 VAL  HA     36 HID  HD2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 513, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  22 VAL  HA     37 LEU  HG       5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  22 VAL  HA     37 LEU  HG       5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  22 VAL  HA     37 LEU  HG       5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  22 VAL  HA     37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  22 VAL  HA     37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  22 VAL  HA     37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  22 VAL  HB     22 VAL  QQG      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  HB     23 VAL  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 306, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  22 VAL  HB     23 VAL  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 306, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  22 VAL  HB     23 VAL  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 306, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  22 VAL  HB     23 VAL  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 306, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  22 VAL  HB     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 472, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  22 VAL  HB     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 472, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  22 VAL  HB     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 472, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  22 VAL  QQG    23 VAL  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    23 VAL  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    23 VAL  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    23 VAL  HA       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    23 VAL  HA       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    23 VAL  HA       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    24 ILE  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    24 ILE  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    24 ILE  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    24 ILE  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    24 ILE  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    24 ILE  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HN       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HN       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HN       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HA       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HA       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HA       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HB3      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HB3      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HB3      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  QD       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 460, 468,
 &end
#
#  22 VAL  QQG    33 PHE  QD       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 460, 468,
 &end
#
#  22 VAL  QQG    33 PHE  QD       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 460, 468,
 &end
#
#  22 VAL  QQG    33 PHE  HZ       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HZ       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  HZ       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    33 PHE  QE       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 462, 466,
 &end
#
#  22 VAL  QQG    33 PHE  QE       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 462, 466,
 &end
#
#  22 VAL  QQG    33 PHE  QE       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 462, 466,
 &end
#
#  22 VAL  QQG    34 THR  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    34 THR  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    34 THR  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    34 THR  HB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    34 THR  HB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    34 THR  HB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    35 PRO  HA       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    35 PRO  HA       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    35 PRO  HA       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    36 HID  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    36 HID  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    36 HID  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    36 HID  HD2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    36 HID  HD2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    36 HID  HD2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    37 LEU  HA       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    37 LEU  HA       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    37 LEU  HA       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    37 LEU  HG       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    37 LEU  HG       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    37 LEU  HG       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#  22 VAL  QQG    37 LEU  QD1      4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 526, 527, 528,
 &end
#
#  22 VAL  QQG    37 LEU  QD1      4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 526, 527, 528,
 &end
#
#  22 VAL  QQG    37 LEU  QD1      4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 526, 527, 528,
 &end
#
#  22 VAL  QQG    37 LEU  QD2      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 530, 531, 532,
 &end
#
#  22 VAL  QQG    37 LEU  QD2      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 530, 531, 532,
 &end
#
#  22 VAL  QQG    37 LEU  QD2      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2= 530, 531, 532,
 &end
#
#  23 VAL  HN     23 VAL  HA       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  23 VAL  HN     23 VAL  HB       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 310, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  23 VAL  HN     23 VAL  HB       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 310, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  23 VAL  HN     23 VAL  HB       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 310, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  23 VAL  HN     23 VAL  QG2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 316, 317, 318,
 &end
#
#  23 VAL  HN     23 VAL  QG2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 316, 317, 318,
 &end
#
#  23 VAL  HN     23 VAL  QG2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 316, 317, 318,
 &end
#
#  23 VAL  HN     24 ILE  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 322, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  23 VAL  HN     24 ILE  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 322, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  23 VAL  HN     24 ILE  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 322, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  23 VAL  HN     24 ILE  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 322, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  23 VAL  HN     34 THR  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 472, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  23 VAL  HN     34 THR  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 472, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  23 VAL  HN     34 THR  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 472, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  23 VAL  HN     34 THR  HB       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 476, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  23 VAL  HN     34 THR  HB       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 476, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  23 VAL  HN     34 THR  HB       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 476, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  23 VAL  HN     36 HID  HD2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 513, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  23 VAL  HN     36 HID  HD2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 513, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  23 VAL  HN     36 HID  HD2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 513, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  23 VAL  HA     23 VAL  QG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 316, 317, 318,
 &end
#
#  23 VAL  HA     23 VAL  QG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 316, 317, 318,
 &end
#
#  23 VAL  HA     23 VAL  QG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 316, 317, 318,
 &end
#
#  23 VAL  HA     24 ILE  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 322, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  23 VAL  HA     24 ILE  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 322, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  23 VAL  HA     24 ILE  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 322, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  23 VAL  HA     24 ILE  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 322, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  23 VAL  HA     24 ILE  HB       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 326, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  23 VAL  HA     24 ILE  HB       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 326, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  23 VAL  HA     24 ILE  HB       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 326, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  23 VAL  HA     24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#  23 VAL  HA     24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#  23 VAL  HA     24 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 328, 329, 330,
 &end
#
#  23 VAL  HB     23 VAL  QG2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 316, 317, 318,
 &end
#
#  23 VAL  HB     24 ILE  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 322, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  23 VAL  HB     24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 322, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  23 VAL  HB     24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 322, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  23 VAL  HB     24 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 322, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  23 VAL  HB     34 THR  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 472, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  23 VAL  HB     34 THR  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 472, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  23 VAL  HB     34 THR  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 472, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  23 VAL  HB     34 THR  HB       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 476, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  23 VAL  HB     34 THR  HB       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 476, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  23 VAL  HB     34 THR  HB       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 476, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  23 VAL  HB     36 HID  HD2      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 513, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  23 VAL  HB     36 HID  HD2      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 513, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  23 VAL  HB     36 HID  HD2      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 513, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  23 VAL  QG1    36 HID  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 312, 313, 314,
 &end
#
#  23 VAL  QG1    36 HID  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 312, 313, 314,
 &end
#
#  23 VAL  QG1    36 HID  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 312, 313, 314,
 &end
#
#  23 VAL  QG1    36 HID  HD2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 312, 313, 314,
 &end
#
#  23 VAL  QG1    36 HID  HD2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 312, 313, 314,
 &end
#
#  23 VAL  QG1    36 HID  HD2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 312, 313, 314,
 &end
#
#  23 VAL  QG2    24 ILE  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 316, 317, 318,
 &end
#
#  23 VAL  QG2    24 ILE  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 316, 317, 318,
 &end
#
#  23 VAL  QG2    24 ILE  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 316, 317, 318,
 &end
#
#  23 VAL  QG2    24 ILE  QG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 316, 317, 318,
 igr2= 328, 329, 330,
 &end
#
#  23 VAL  QG2    24 ILE  QG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 316, 317, 318,
 igr2= 328, 329, 330,
 &end
#
#  23 VAL  QG2    24 ILE  QG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 316, 317, 318,
 igr2= 328, 329, 330,
 &end
#
#  23 VAL  QG2    34 THR  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 316, 317, 318,
 &end
#
#  23 VAL  QG2    34 THR  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 316, 317, 318,
 &end
#
#  23 VAL  QG2    34 THR  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 316, 317, 318,
 &end
#
#  24 ILE  HN     24 ILE  HA       5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 324, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  24 ILE  HN     24 ILE  HB       3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  24 ILE  HN     24 ILE  HB       3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  24 ILE  HN     24 ILE  HB       3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  24 ILE  HN     24 ILE  HG12     4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 332, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  24 ILE  HN     24 ILE  HG12     4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 332, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  24 ILE  HN     24 ILE  HG12     4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 332, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  24 ILE  HN     24 ILE  HG13     4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 333, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  24 ILE  HN     24 ILE  HG13     4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 333, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  24 ILE  HN     24 ILE  HG13     4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 333, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  24 ILE  HN     24 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  HN     24 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  HN     24 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  HN     24 ILE  QG2      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 328, 329, 330,
 &end
#
#  24 ILE  HN     24 ILE  QG2      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 328, 329, 330,
 &end
#
#  24 ILE  HN     24 ILE  QG2      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 328, 329, 330,
 &end
#
#  24 ILE  HN     25 ASP  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 341, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  24 ILE  HN     25 ASP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  24 ILE  HN     25 ASP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  24 ILE  HN     25 ASP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  24 ILE  HN     33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 460, 468,
 &end
#
#  24 ILE  HN     33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 460, 468,
 &end
#
#  24 ILE  HN     33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 460, 468,
 &end
#
#  24 ILE  HN     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 472, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  24 ILE  HN     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 472, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  24 ILE  HN     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 472, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  24 ILE  HN    117 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1648,1649,1650,
 &end
#
#  24 ILE  HN    117 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1648,1649,1650,
 &end
#
#  24 ILE  HN    117 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1648,1649,1650,
 &end
#
#  24 ILE  HA     24 ILE  HB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 326, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  24 ILE  HA     24 ILE  HG12     5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 332, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  24 ILE  HA     24 ILE  HG13     4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 333, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  24 ILE  HA     24 ILE  HG13     4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 333, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  24 ILE  HA     24 ILE  HG13     4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 333, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  24 ILE  HA     24 ILE  QD1      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  HA     24 ILE  QD1      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  HA     24 ILE  QD1      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  HA     24 ILE  QG2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 328, 329, 330,
 &end
#
#  24 ILE  HA     24 ILE  QG2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 328, 329, 330,
 &end
#
#  24 ILE  HA     24 ILE  QG2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 328, 329, 330,
 &end
#
#  24 ILE  HA     25 ASP  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  24 ILE  HA     25 ASP  HN       3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  24 ILE  HA     25 ASP  HN       3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  24 ILE  HA     25 ASP  HN       3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  24 ILE  HA     25 ASP  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 343, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  24 ILE  HA     25 ASP  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 343, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  24 ILE  HA     25 ASP  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 343, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  24 ILE  HA     25 ASP  HB2      6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 345, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  24 ILE  HA     25 ASP  HB2      6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 345, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  24 ILE  HA     25 ASP  HB2      6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 345, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  24 ILE  HA     25 ASP  HB3      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 346, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  24 ILE  HA     25 ASP  HB3      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 346, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  24 ILE  HA     25 ASP  HB3      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 346, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  24 ILE  HA     33 PHE  HA       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 454, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  24 ILE  HA     33 PHE  HA       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 454, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  24 ILE  HA     33 PHE  HA       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 454, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  24 ILE  HB     24 ILE  QD1      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  HB     24 ILE  QD1      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  HB     24 ILE  QD1      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  HB     25 ASP  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 341, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  24 ILE  HB     25 ASP  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 341, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  24 ILE  HB     25 ASP  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 341, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  24 ILE  HB     25 ASP  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 341, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  24 ILE  HB    117 LEU  QD2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1652,1653,1654,
 &end
#
#  24 ILE  HB    117 LEU  QD2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1652,1653,1654,
 &end
#
#  24 ILE  HB    117 LEU  QD2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1652,1653,1654,
 &end
#
#  24 ILE  HG13   24 ILE  QD1      3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  HG13   33 PHE  QD       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 460, 468,
 &end
#
#  24 ILE  HG13   33 PHE  QD       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 460, 468,
 &end
#
#  24 ILE  HG13   33 PHE  QD       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 460, 468,
 &end
#
#  24 ILE  HG13   34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 472, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  24 ILE  HG13   34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 472, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  24 ILE  HG13   34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 472, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  24 ILE  HG13   47 PHE  QE       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 672, 676,
 &end
#
#  24 ILE  HG13   47 PHE  QE       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 672, 676,
 &end
#
#  24 ILE  HG13   47 PHE  QE       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 672, 676,
 &end
#
#  24 ILE  HG13  125 LEU  QD2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1780,1781,1782,
 &end
#
#  24 ILE  HG13  125 LEU  QD2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1780,1781,1782,
 &end
#
#  24 ILE  HG13  125 LEU  QD2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1780,1781,1782,
 &end
#
#  24 ILE  QD1    24 ILE  HG12     4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 335, 336, 337,
 &end
#
#  24 ILE  QD1    33 PHE  QD       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 335, 336, 337,
 igr2= 460, 468,
 &end
#
#  24 ILE  QD1    33 PHE  QD       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 335, 336, 337,
 igr2= 460, 468,
 &end
#
#  24 ILE  QD1    33 PHE  QD       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 335, 336, 337,
 igr2= 460, 468,
 &end
#
#  24 ILE  QD1    34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 335, 336, 337,
 &end
#
#  24 ILE  QD1    34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 335, 336, 337,
 &end
#
#  24 ILE  QD1    34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 335, 336, 337,
 &end
#
#  24 ILE  QD1    47 PHE  HZ       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 335, 336, 337,
 &end
#
#  24 ILE  QD1    47 PHE  HZ       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 335, 336, 337,
 &end
#
#  24 ILE  QD1    47 PHE  HZ       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 335, 336, 337,
 &end
#
#  24 ILE  QD1    47 PHE  QE       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 335, 336, 337,
 igr2= 672, 676,
 &end
#
#  24 ILE  QD1    47 PHE  QE       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 335, 336, 337,
 igr2= 672, 676,
 &end
#
#  24 ILE  QD1    47 PHE  QE       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 335, 336, 337,
 igr2= 672, 676,
 &end
#
#  24 ILE  QD1   117 LEU  QD1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 335, 336, 337,
 igr2=1648,1649,1650,
 &end
#
#  24 ILE  QD1   117 LEU  QD1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 335, 336, 337,
 igr2=1648,1649,1650,
 &end
#
#  24 ILE  QD1   117 LEU  QD1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 335, 336, 337,
 igr2=1648,1649,1650,
 &end
#
#  24 ILE  QD1   125 LEU  QD2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 335, 336, 337,
 igr2=1780,1781,1782,
 &end
#
#  24 ILE  QD1   125 LEU  QD2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 335, 336, 337,
 igr2=1780,1781,1782,
 &end
#
#  24 ILE  QD1   125 LEU  QD2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 335, 336, 337,
 igr2=1780,1781,1782,
 &end
#
#  24 ILE  QG2    24 ILE  HB       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    24 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    24 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    24 ILE  QD1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 328, 329, 330,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  QG2    24 ILE  QD1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 328, 329, 330,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  QG2    24 ILE  QD1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 328, 329, 330,
 igr2= 335, 336, 337,
 &end
#
#  24 ILE  QG2    25 ASP  HN       4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HN       4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HN       4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HA       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HA       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HA       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    25 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    26 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    26 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    26 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    26 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    26 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    26 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    27 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    27 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    27 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HB2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HB2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HB2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HB3      3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HB3      3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HB3      3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HG       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HG       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  HG       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    31 LEU  QD1      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1= 328, 329, 330,
 igr2= 420, 421, 422,
 &end
#
#  24 ILE  QG2    31 LEU  QD1      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1= 328, 329, 330,
 igr2= 420, 421, 422,
 &end
#
#  24 ILE  QG2    31 LEU  QD1      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1= 328, 329, 330,
 igr2= 420, 421, 422,
 &end
#
#  24 ILE  QG2    31 LEU  QD2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 328, 329, 330,
 igr2= 424, 425, 426,
 &end
#
#  24 ILE  QG2    31 LEU  QD2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 328, 329, 330,
 igr2= 424, 425, 426,
 &end
#
#  24 ILE  QG2    31 LEU  QD2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 328, 329, 330,
 igr2= 424, 425, 426,
 &end
#
#  24 ILE  QG2    32 LYS  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    32 LYS  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    32 LYS  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    33 PHE  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    33 PHE  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    33 PHE  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    33 PHE  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    33 PHE  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    33 PHE  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    33 PHE  QD       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 328, 329, 330,
 igr2= 460, 468,
 &end
#
#  24 ILE  QG2    33 PHE  QD       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 328, 329, 330,
 igr2= 460, 468,
 &end
#
#  24 ILE  QG2    33 PHE  QD       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 328, 329, 330,
 igr2= 460, 468,
 &end
#
#  24 ILE  QG2    34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    47 PHE  HZ       5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    47 PHE  HZ       5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    47 PHE  HZ       5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2    47 PHE  QE       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 328, 329, 330,
 igr2= 672, 676,
 &end
#
#  24 ILE  QG2    47 PHE  QE       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 328, 329, 330,
 igr2= 672, 676,
 &end
#
#  24 ILE  QG2    47 PHE  QE       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 328, 329, 330,
 igr2= 672, 676,
 &end
#
#  24 ILE  QG2   110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HB3      5.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1644, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HB3      5.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1644, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  HB3      5.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1644, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 328, 329, 330,
 &end
#
#  24 ILE  QG2   117 LEU  QD1      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 328, 329, 330,
 igr2=1648,1649,1650,
 &end
#
#  24 ILE  QG2   117 LEU  QD1      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 328, 329, 330,
 igr2=1648,1649,1650,
 &end
#
#  24 ILE  QG2   117 LEU  QD1      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 328, 329, 330,
 igr2=1648,1649,1650,
 &end
#
#  25 ASP  HN     25 ASP  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 343, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  25 ASP  HN     25 ASP  HB2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 345, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  25 ASP  HN     25 ASP  HB3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 346, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  25 ASP  HN     25 ASP  HB3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 346, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  25 ASP  HN     25 ASP  HB3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 346, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  25 ASP  HN     26 GLU  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 353, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  25 ASP  HN     26 GLU  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 353, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  25 ASP  HN     26 GLU  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 353, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  25 ASP  HN     26 GLU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 353, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  25 ASP  HN     27 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 374, 375, 376,
 &end
#
#  25 ASP  HN     27 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 374, 375, 376,
 &end
#
#  25 ASP  HN     27 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 374, 375, 376,
 &end
#
#  25 ASP  HN     31 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HN     31 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HN     31 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HN     31 LEU  HB3      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 416, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  25 ASP  HN     31 LEU  HB3      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 416, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  25 ASP  HN     31 LEU  HB3      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 416, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  25 ASP  HN     31 LEU  QD2      5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2= 424, 425, 426,
 &end
#
#  25 ASP  HN     31 LEU  QD2      5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2= 424, 425, 426,
 &end
#
#  25 ASP  HN     31 LEU  QD2      5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2= 424, 425, 426,
 &end
#
#  25 ASP  HN     32 LYS  HN       3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 430, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  25 ASP  HN     32 LYS  HN       3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 430, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  25 ASP  HN     32 LYS  HN       3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 430, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  25 ASP  HN     32 LYS  HB2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 434, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  25 ASP  HN     32 LYS  HB2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 434, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  25 ASP  HN     32 LYS  HB2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 434, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  25 ASP  HN     33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 452, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HN     33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 452, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HN     33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 452, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HN     33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 460, 468,
 &end
#
#  25 ASP  HN     33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 460, 468,
 &end
#
#  25 ASP  HN     33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 460, 468,
 &end
#
#  25 ASP  HN     34 THR  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 472, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  25 ASP  HN     34 THR  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 472, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  25 ASP  HN     34 THR  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 472, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  25 ASP  HA     25 ASP  HB2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 345, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  25 ASP  HA     25 ASP  HB3      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 346, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  25 ASP  HA     26 GLU  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 353, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  25 ASP  HA     26 GLU  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 353, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  25 ASP  HA     26 GLU  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 353, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  25 ASP  HA     26 GLU  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 353, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  25 ASP  HA     26 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 355, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HA     26 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 355, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HA     26 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 355, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HA     26 GLU  HB3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 358, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  25 ASP  HA     26 GLU  HB3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 358, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  25 ASP  HA     26 GLU  HB3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 358, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  25 ASP  HA    117 LEU  QD1      5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1648,1649,1650,
 &end
#
#  25 ASP  HA    117 LEU  QD1      5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1648,1649,1650,
 &end
#
#  25 ASP  HA    117 LEU  QD1      5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1648,1649,1650,
 &end
#
#  25 ASP  HA    117 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1652,1653,1654,
 &end
#
#  25 ASP  HA    117 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1652,1653,1654,
 &end
#
#  25 ASP  HA    117 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1652,1653,1654,
 &end
#
#  25 ASP  HB2    25 ASP  HB3      3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 346, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  25 ASP  HB2    26 GLU  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 353, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  25 ASP  HB2    26 GLU  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 353, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  25 ASP  HB2    26 GLU  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 353, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  25 ASP  HB2    26 GLU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 353, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  25 ASP  HB2    32 LYS  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 430, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  25 ASP  HB2    32 LYS  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 430, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  25 ASP  HB2    32 LYS  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 430, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  25 ASP  HB2    32 LYS  HB3      5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 435, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  25 ASP  HB2    32 LYS  HB3      5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 435, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  25 ASP  HB2    32 LYS  HB3      5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 435, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  25 ASP  HB3    26 GLU  HN       5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 353, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  25 ASP  HB3    26 GLU  HN       5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 353, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  25 ASP  HB3    26 GLU  HN       5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 353, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  25 ASP  HB3    27 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 372, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HB3    27 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 372, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HB3    27 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 372, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  25 ASP  HB3    27 THR  QG2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 374, 375, 376,
 &end
#
#  25 ASP  HB3    27 THR  QG2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 374, 375, 376,
 &end
#
#  25 ASP  HB3    27 THR  QG2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 374, 375, 376,
 &end
#
#  25 ASP  HB3    32 LYS  HN       5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 430, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  25 ASP  HB3    32 LYS  HN       5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 430, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  25 ASP  HB3    32 LYS  HN       5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 430, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  25 ASP  HB3    32 LYS  HB2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 434, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  25 ASP  HB3    32 LYS  HB2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 434, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  25 ASP  HB3    32 LYS  HB2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 434, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  25 ASP  HB3    32 LYS  HB3      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 435, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  25 ASP  HB3    32 LYS  HB3      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 435, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  25 ASP  HB3    32 LYS  HB3      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 435, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  25 ASP  HB3    32 LYS  HE3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 444, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  25 ASP  HB3    32 LYS  HE3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 444, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  25 ASP  HB3    32 LYS  HE3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 444, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  26 GLU  HN     26 GLU  HA       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 355, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  26 GLU  HN     26 GLU  HB2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  26 GLU  HN     26 GLU  HB2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  26 GLU  HN     26 GLU  HB2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  26 GLU  HN     26 GLU  HB3      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  26 GLU  HN     26 GLU  HB3      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  26 GLU  HN     26 GLU  HB3      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  26 GLU  HN     26 GLU  HG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 360, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  26 GLU  HN     26 GLU  HG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 360, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  26 GLU  HN     26 GLU  HG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 360, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  26 GLU  HN     26 GLU  HG3      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 361, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  26 GLU  HN     26 GLU  HG3      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 361, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  26 GLU  HN     26 GLU  HG3      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 361, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  26 GLU  HN     27 THR  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 368, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  26 GLU  HN     27 THR  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 368, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  26 GLU  HN     27 THR  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 368, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  26 GLU  HN     27 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 374, 375, 376,
 &end
#
#  26 GLU  HN     27 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 374, 375, 376,
 &end
#
#  26 GLU  HN     27 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 374, 375, 376,
 &end
#
#  26 GLU  HN     31 LEU  QD2      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HN     31 LEU  QD2      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HN     31 LEU  QD2      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HN     32 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HN     32 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HN     32 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HN    117 LEU  HN       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 353,1639, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  26 GLU  HN    117 LEU  HN       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 353,1639, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  26 GLU  HN    117 LEU  HN       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 353,1639, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  26 GLU  HN    117 LEU  QD2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1652,1653,1654,
 &end
#
#  26 GLU  HN    117 LEU  QD2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1652,1653,1654,
 &end
#
#  26 GLU  HN    117 LEU  QD2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1652,1653,1654,
 &end
#
#  26 GLU  HA     26 GLU  HB3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 358, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  26 GLU  HA     26 GLU  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  26 GLU  HA     27 THR  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 368, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  26 GLU  HA     27 THR  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 368, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  26 GLU  HA     27 THR  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 368, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  26 GLU  HA     31 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 416, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HA     31 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 416, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HA     31 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 416, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HA     31 LEU  QD2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HA     31 LEU  QD2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HA     31 LEU  QD2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HA     32 LYS  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 430, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  26 GLU  HA     32 LYS  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 430, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  26 GLU  HA     32 LYS  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 430, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  26 GLU  HA    117 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 355,1639, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HA    117 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 355,1639, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HA    117 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 355,1639, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HB2    27 THR  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 368, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  26 GLU  HB2    27 THR  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 368, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  26 GLU  HB2    27 THR  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 368, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  26 GLU  HB2    31 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HB2    31 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HB2    31 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HB2   116 SER  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 357,1630, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  26 GLU  HB2   116 SER  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 357,1630, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  26 GLU  HB2   116 SER  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 357,1630, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  26 GLU  HB2   117 LEU  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 357,1639, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  26 GLU  HB2   117 LEU  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 357,1639, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  26 GLU  HB2   117 LEU  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 357,1639, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  26 GLU  HB3    26 GLU  HB2      2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 357, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#  26 GLU  HB3    26 GLU  HG3      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 361, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  26 GLU  HB3    27 THR  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 368, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  26 GLU  HB3    27 THR  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 368, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  26 GLU  HB3    27 THR  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 368, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  26 GLU  HB3    31 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HB3    31 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HB3    31 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HB3    31 LEU  QD2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HB3    31 LEU  QD2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HB3    31 LEU  QD2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HB3   116 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358,1630, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HB3   116 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358,1630, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HB3   116 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358,1630, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HB3   117 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358,1643, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HB3   117 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358,1643, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HB3   117 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358,1643, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  26 GLU  HG2    27 THR  HA       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  26 GLU  HG2    27 THR  HA       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  26 GLU  HG2    27 THR  HA       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  26 GLU  HG2   116 SER  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1630, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  26 GLU  HG2   116 SER  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1630, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  26 GLU  HG2   116 SER  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1630, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  26 GLU  HG2   117 LEU  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1639, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  26 GLU  HG2   117 LEU  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1639, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  26 GLU  HG2   117 LEU  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1639, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  26 GLU  HG2   117 LEU  HG       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1646, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  26 GLU  HG2   117 LEU  HG       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1646, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  26 GLU  HG2   117 LEU  HG       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1646, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  26 GLU  HG3    31 LEU  QD2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HG3    31 LEU  QD2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HG3    31 LEU  QD2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 424, 425, 426,
 &end
#
#  26 GLU  HG3   116 SER  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 361,1630, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  26 GLU  HG3   116 SER  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 361,1630, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  26 GLU  HG3   116 SER  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 361,1630, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  26 GLU  HG3   117 LEU  QD2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1652,1653,1654,
 &end
#
#  26 GLU  HG3   117 LEU  QD2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1652,1653,1654,
 &end
#
#  26 GLU  HG3   117 LEU  QD2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1652,1653,1654,
 &end
#
#  27 THR  HN     27 THR  HA       4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 370, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  27 THR  HN     27 THR  HB       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 372, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  27 THR  HN     27 THR  HB       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 372, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  27 THR  HN     27 THR  HB       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 372, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  27 THR  HN     27 THR  QG2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 374, 375, 376,
 &end
#
#  27 THR  HN     27 THR  QG2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 374, 375, 376,
 &end
#
#  27 THR  HN     27 THR  QG2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 374, 375, 376,
 &end
#
#  27 THR  HN     28 GLU  HN       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 382, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  27 THR  HN     28 GLU  HN       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 382, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  27 THR  HN     28 GLU  HN       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 382, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  27 THR  HN     29 GLY  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 397, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  27 THR  HN     29 GLY  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 397, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  27 THR  HN     29 GLY  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 397, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  27 THR  HN     30 GLY  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 404, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  27 THR  HN     30 GLY  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 404, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  27 THR  HN     30 GLY  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 404, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  27 THR  HN     30 GLY  HA3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 407, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  27 THR  HN     30 GLY  HA3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 407, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  27 THR  HN     30 GLY  HA3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 407, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  27 THR  HN     31 LEU  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 413, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  27 THR  HN     31 LEU  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 413, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  27 THR  HN     31 LEU  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 413, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  27 THR  HN     31 LEU  QD2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 424, 425, 426,
 &end
#
#  27 THR  HN     31 LEU  QD2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 424, 425, 426,
 &end
#
#  27 THR  HN     31 LEU  QD2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 424, 425, 426,
 &end
#
#  27 THR  HN     32 LYS  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 430, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  27 THR  HN     32 LYS  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 430, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  27 THR  HN     32 LYS  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 430, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  27 THR  HA     27 THR  HB       3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 372, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  27 THR  HA     27 THR  QG2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 374, 375, 376,
 &end
#
#  27 THR  HA     27 THR  QG2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 374, 375, 376,
 &end
#
#  27 THR  HA     27 THR  QG2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 374, 375, 376,
 &end
#
#  27 THR  HA     28 GLU  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 382, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  27 THR  HA     28 GLU  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 382, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  27 THR  HA     28 GLU  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 382, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  27 THR  HA     28 GLU  HB3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 387, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  27 THR  HA     28 GLU  HB3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 387, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  27 THR  HA     28 GLU  HB3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 387, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  27 THR  HA     29 GLY  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 397, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  27 THR  HA     29 GLY  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 397, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  27 THR  HA     29 GLY  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 397, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  27 THR  HA     30 GLY  HN       5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 404, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  27 THR  HA     30 GLY  HN       5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 404, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  27 THR  HA     30 GLY  HN       5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 404, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  27 THR  HB     27 THR  QG2      3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 374, 375, 376,
 &end
#
#  27 THR  HB     28 GLU  HN       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 382, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  27 THR  HB     28 GLU  HN       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 382, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  27 THR  HB     28 GLU  HN       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 382, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  27 THR  HB     29 GLY  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 397, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  27 THR  HB     29 GLY  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 397, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  27 THR  HB     29 GLY  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 397, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  27 THR  HB     30 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  27 THR  HB     30 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  27 THR  HB     30 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  27 THR  HB     32 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  27 THR  HB     32 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  27 THR  HB     32 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  27 THR  QG2    28 GLU  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    28 GLU  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    28 GLU  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    29 GLY  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    29 GLY  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    29 GLY  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    30 GLY  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    30 GLY  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    30 GLY  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    32 LYS  HN       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    32 LYS  HN       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    32 LYS  HN       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    32 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    32 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    32 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    32 LYS  HE2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    32 LYS  HE2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    32 LYS  HE2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 374, 375, 376,
 &end
#
#  27 THR  QG2    32 LYS  QG       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 374, 375, 376,
 igr2= 437, 438,
 &end
#
#  27 THR  QG2    32 LYS  QG       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 374, 375, 376,
 igr2= 437, 438,
 &end
#
#  27 THR  QG2    32 LYS  QG       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 374, 375, 376,
 igr2= 437, 438,
 &end
#
#  28 GLU  HN     28 GLU  HA       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 384, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  28 GLU  HN     28 GLU  HB2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 386, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  28 GLU  HN     28 GLU  HB2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 386, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  28 GLU  HN     28 GLU  HB2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 386, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  28 GLU  HN     28 GLU  HB3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 387, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  28 GLU  HN     28 GLU  HB3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 387, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  28 GLU  HN     28 GLU  HB3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 387, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  28 GLU  HN     28 GLU  HG2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 389, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  28 GLU  HN     28 GLU  HG2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 389, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  28 GLU  HN     28 GLU  HG2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 389, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  28 GLU  HN     29 GLY  HN       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  28 GLU  HN     29 GLY  HN       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  28 GLU  HN     29 GLY  HN       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  28 GLU  HN     29 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  28 GLU  HN     29 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 400, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HN     29 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 400, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HN     29 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 400, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HN     30 GLY  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 404, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  28 GLU  HN     30 GLY  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 404, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  28 GLU  HN     30 GLY  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 404, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  28 GLU  HA     28 GLU  HB2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 386, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  28 GLU  HA     28 GLU  HB3      3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 387, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  28 GLU  HA     28 GLU  HB3      3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 387, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  28 GLU  HA     28 GLU  HB3      3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 387, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  28 GLU  HA     28 GLU  HG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  28 GLU  HA     28 GLU  HG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  28 GLU  HA     28 GLU  HG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  28 GLU  HA     28 GLU  HG3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 390, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  28 GLU  HA     28 GLU  HG3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 390, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  28 GLU  HA     28 GLU  HG3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 390, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  28 GLU  HA     29 GLY  HN       3.50  (#)
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 GLU  HA     29 GLY  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 397, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  28 GLU  HA     30 GLY  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 404, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  28 GLU  HA     30 GLY  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 404, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  28 GLU  HA     30 GLY  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 404, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  28 GLU  HB2    28 GLU  HG2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 389, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  28 GLU  HB2    29 GLY  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 397, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  28 GLU  HB2    29 GLY  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 397, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  28 GLU  HB2    29 GLY  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 397, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  28 GLU  HB2    29 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 397, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  28 GLU  HB2    30 GLY  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 404, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  28 GLU  HB2    30 GLY  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 404, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  28 GLU  HB2    30 GLY  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 404, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  28 GLU  HB3    28 GLU  HB2      2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 386, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
#  28 GLU  HB3    28 GLU  HG2      3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 389, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  28 GLU  HB3    28 GLU  HG2      3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 389, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  28 GLU  HB3    28 GLU  HG2      3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 389, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  28 GLU  HB3    29 GLY  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 397, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  28 GLU  HB3    29 GLY  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 397, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  28 GLU  HB3    29 GLY  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 397, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  28 GLU  HB3    29 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 399, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HB3    29 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 399, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HB3    29 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 399, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HG2    29 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HG2    29 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HG2    29 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HG2    30 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HG2    30 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HG2    30 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  28 GLU  HG3    29 GLY  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 397, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  28 GLU  HG3    29 GLY  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 397, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  28 GLU  HG3    29 GLY  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 397, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  29 GLY  HN     29 GLY  HA2      3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 399, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  29 GLY  HN     29 GLY  HA3      3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 400, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  29 GLY  HN     30 GLY  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  29 GLY  HN     30 GLY  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  29 GLY  HN     30 GLY  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  29 GLY  HN     30 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  29 GLY  HN    110 THR  QG2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1531,1532,1533,
 &end
#
#  29 GLY  HN    110 THR  QG2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1531,1532,1533,
 &end
#
#  29 GLY  HN    110 THR  QG2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1531,1532,1533,
 &end
#
#  29 GLY  HA2    29 GLY  HA3      3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 400, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  29 GLY  HA2    30 GLY  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 404, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  29 GLY  HA2    30 GLY  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 404, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  29 GLY  HA2   110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  29 GLY  HA2   110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  29 GLY  HA2   110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  29 GLY  HA2   112 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 399,1559, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  29 GLY  HA2   112 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 399,1559, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  29 GLY  HA2   112 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 399,1559, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  29 GLY  HA3    30 GLY  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  29 GLY  HA3   110 THR  QG2      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr2=1531,1532,1533,
 &end
#
#  29 GLY  HA3   110 THR  QG2      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr2=1531,1532,1533,
 &end
#
#  29 GLY  HA3   110 THR  QG2      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr2=1531,1532,1533,
 &end
#
#  30 GLY  HN     30 GLY  HA2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  30 GLY  HN     30 GLY  HA3      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 407, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  30 GLY  HN     31 LEU  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 411, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  30 GLY  HN     31 LEU  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 411, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  30 GLY  HN     31 LEU  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 411, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  30 GLY  HN     31 LEU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 411, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  30 GLY  HN     31 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 424, 425, 426,
 &end
#
#  30 GLY  HN     31 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 424, 425, 426,
 &end
#
#  30 GLY  HN     31 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 424, 425, 426,
 &end
#
#  30 GLY  HN    110 THR  QG2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1531,1532,1533,
 &end
#
#  30 GLY  HN    110 THR  QG2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1531,1532,1533,
 &end
#
#  30 GLY  HN    110 THR  QG2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1531,1532,1533,
 &end
#
#  30 GLY  HN    112 PRO  HA       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 404,1559, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  30 GLY  HN    112 PRO  HA       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 404,1559, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  30 GLY  HN    112 PRO  HA       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 404,1559, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  30 GLY  HN    115 LYS  QD       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2=1616,1617,
 &end
#
#  30 GLY  HN    115 LYS  QD       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2=1616,1617,
 &end
#
#  30 GLY  HN    115 LYS  QD       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2=1616,1617,
 &end
#
#  30 GLY  HA2    31 LEU  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 411, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  30 GLY  HA2    31 LEU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 411, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  30 GLY  HA2    31 LEU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 411, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  30 GLY  HA2    31 LEU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 411, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  30 GLY  HA2   110 THR  QG2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1531,1532,1533,
 &end
#
#  30 GLY  HA2   110 THR  QG2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1531,1532,1533,
 &end
#
#  30 GLY  HA2   110 THR  QG2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1531,1532,1533,
 &end
#
#  30 GLY  HA2   112 PRO  HA       4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 406,1559, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  30 GLY  HA2   112 PRO  HA       4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 406,1559, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  30 GLY  HA2   112 PRO  HA       4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 406,1559, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  30 GLY  HA2   113 ARG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 406,1563, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  30 GLY  HA2   113 ARG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 406,1563, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  30 GLY  HA2   113 ARG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 406,1563, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  30 GLY  HA3    30 GLY  HA2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 406, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  30 GLY  HA3    31 LEU  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 411, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  30 GLY  HA3    31 LEU  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 411, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  30 GLY  HA3    31 LEU  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 411, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  30 GLY  HA3   110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  30 GLY  HA3   110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  30 GLY  HA3   110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  30 GLY  HA3   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  30 GLY  HA3   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  30 GLY  HA3   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  30 GLY  HA3   115 LYS  QD       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2=1616,1617,
 &end
#
#  30 GLY  HA3   115 LYS  QD       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2=1616,1617,
 &end
#
#  30 GLY  HA3   115 LYS  QD       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2=1616,1617,
 &end
#
#  30 GLY  HA3   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  30 GLY  HA3   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  30 GLY  HA3   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HN     31 LEU  HA       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 413, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  31 LEU  HN     31 LEU  HB2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 415, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  31 LEU  HN     31 LEU  HB2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 415, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  31 LEU  HN     31 LEU  HB2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 415, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  31 LEU  HN     31 LEU  HB3      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 416, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  31 LEU  HN     31 LEU  HB3      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 416, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  31 LEU  HN     31 LEU  HB3      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 416, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  31 LEU  HN     31 LEU  QD1      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HN     31 LEU  QD1      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HN     31 LEU  QD1      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HN     31 LEU  QD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 424, 425, 426,
 &end
#
#  31 LEU  HN     31 LEU  QD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 424, 425, 426,
 &end
#
#  31 LEU  HN     31 LEU  QD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 424, 425, 426,
 &end
#
#  31 LEU  HN     32 LYS  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 430, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  31 LEU  HN    110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HN    110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HN    110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HN    110 THR  QG2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2=1531,1532,1533,
 &end
#
#  31 LEU  HN    110 THR  QG2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2=1531,1532,1533,
 &end
#
#  31 LEU  HN    110 THR  QG2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2=1531,1532,1533,
 &end
#
#  31 LEU  HN    111 ALA  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1539, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  31 LEU  HN    111 ALA  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1539, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  31 LEU  HN    111 ALA  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1539, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  31 LEU  HN    111 ALA  QB       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1543,1544,1545,
 &end
#
#  31 LEU  HN    111 ALA  QB       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1543,1544,1545,
 &end
#
#  31 LEU  HN    111 ALA  QB       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1543,1544,1545,
 &end
#
#  31 LEU  HN    113 ARG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1563, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HN    113 ARG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1563, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HN    113 ARG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1563, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HN    114 LEU  HB2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1591, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  31 LEU  HN    114 LEU  HB2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1591, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  31 LEU  HN    114 LEU  HB2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1591, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  31 LEU  HN    114 LEU  HB3      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1592, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  31 LEU  HN    114 LEU  HB3      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1592, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  31 LEU  HN    114 LEU  HB3      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1592, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  31 LEU  HN    115 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1606, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HN    115 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1606, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HN    115 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 411,1606, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HA     31 LEU  HB2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 415, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  31 LEU  HA     31 LEU  HB3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 416, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  31 LEU  HA     31 LEU  QD1      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HA     31 LEU  QD1      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HA     31 LEU  QD1      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HA     31 LEU  QD2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 424, 425, 426,
 &end
#
#  31 LEU  HA     31 LEU  QD2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 424, 425, 426,
 &end
#
#  31 LEU  HA     31 LEU  QD2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 424, 425, 426,
 &end
#
#  31 LEU  HA     32 LYS  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 430, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  31 LEU  HA     32 LYS  HN       3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 430, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  31 LEU  HA     32 LYS  HN       3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 430, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  31 LEU  HA     32 LYS  HN       3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 430, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  31 LEU  HA     33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 452, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HA     33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 452, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HA     33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 452, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HA    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 413,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HA    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 413,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HA    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 413,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB2    31 LEU  HB3      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 416, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  31 LEU  HB2    31 LEU  QD1      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HB2    31 LEU  QD1      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HB2    31 LEU  QD1      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HB2    32 LYS  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 430, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  31 LEU  HB2    32 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 432, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB2    32 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 432, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB2    32 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 432, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB2    47 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 674, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB2    47 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 674, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB2    47 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 674, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB2    47 PHE  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 676,
 &end
#
#  31 LEU  HB3    31 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HB3    31 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HB3    31 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 420, 421, 422,
 &end
#
#  31 LEU  HB3    31 LEU  QD2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 424, 425, 426,
 &end
#
#  31 LEU  HB3    32 LYS  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 430, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  31 LEU  HB3    32 LYS  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 430, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  31 LEU  HB3    32 LYS  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 430, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  31 LEU  HB3    33 PHE  HN       5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 452, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  31 LEU  HB3    33 PHE  HN       5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 452, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  31 LEU  HB3    33 PHE  HN       5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 452, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  31 LEU  HB3    33 PHE  QD       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 460, 468,
 &end
#
#  31 LEU  HB3    33 PHE  QD       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 460, 468,
 &end
#
#  31 LEU  HB3    33 PHE  QD       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 460, 468,
 &end
#
#  31 LEU  HB3    47 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 674, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB3    47 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 674, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB3    47 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 674, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB3    47 PHE  QE       5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 672, 676,
 &end
#
#  31 LEU  HB3    47 PHE  QE       5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 672, 676,
 &end
#
#  31 LEU  HB3    47 PHE  QE       5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 672, 676,
 &end
#
#  31 LEU  HB3   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 416,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB3   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 416,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HB3   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 416,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  31 LEU  HG    114 LEU  HB2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 418,1591, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  31 LEU  HG    114 LEU  HB2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 418,1591, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  31 LEU  HG    114 LEU  HB2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 418,1591, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  31 LEU  QD1    33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 420, 421, 422,
 igr2= 460, 468,
 &end
#
#  31 LEU  QD1    33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 420, 421, 422,
 igr2= 460, 468,
 &end
#
#  31 LEU  QD1    33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 420, 421, 422,
 igr2= 460, 468,
 &end
#
#  31 LEU  QD1    47 PHE  HZ       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1    47 PHE  HZ       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1    47 PHE  HZ       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1    47 PHE  QE       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
 igr1= 420, 421, 422,
 igr2= 672, 676,
 &end
#
#  31 LEU  QD1    47 PHE  QE       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
 igr1= 420, 421, 422,
 igr2= 672, 676,
 &end
#
#  31 LEU  QD1    47 PHE  QE       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
 igr1= 420, 421, 422,
 igr2= 672, 676,
 &end
#
#  31 LEU  QD1   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   114 LEU  HB2      4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   114 LEU  HB2      4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   114 LEU  HB2      4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   114 LEU  HB3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1592, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   114 LEU  HB3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1592, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   114 LEU  HB3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1592, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   114 LEU  QD1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 420, 421, 422,
 igr2=1596,1597,1598,
 &end
#
#  31 LEU  QD1   114 LEU  QD1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 420, 421, 422,
 igr2=1596,1597,1598,
 &end
#
#  31 LEU  QD1   114 LEU  QD1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 420, 421, 422,
 igr2=1596,1597,1598,
 &end
#
#  31 LEU  QD1   114 LEU  QD2      3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 420, 421, 422,
 igr2=1600,1601,1602,
 &end
#
#  31 LEU  QD1   114 LEU  QD2      3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 420, 421, 422,
 igr2=1600,1601,1602,
 &end
#
#  31 LEU  QD1   114 LEU  QD2      3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 420, 421, 422,
 igr2=1600,1601,1602,
 &end
#
#  31 LEU  QD1   115 LYS  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   115 LYS  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   115 LYS  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   116 SER  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   116 SER  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   116 SER  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   120 VAL  HN       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   120 VAL  HN       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   120 VAL  HN       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   120 VAL  HB       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   120 VAL  HB       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   120 VAL  HB       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 420, 421, 422,
 &end
#
#  31 LEU  QD1   120 VAL  QG1      3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 420, 421, 422,
 igr2=1691,1692,1693,
 &end
#
#  31 LEU  QD1   120 VAL  QG1      3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 420, 421, 422,
 igr2=1691,1692,1693,
 &end
#
#  31 LEU  QD1   120 VAL  QG1      3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 420, 421, 422,
 igr2=1691,1692,1693,
 &end
#
#  31 LEU  QD1   120 VAL  QG2      3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 420, 421, 422,
 igr2=1695,1696,1697,
 &end
#
#  31 LEU  QD1   120 VAL  QG2      3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 420, 421, 422,
 igr2=1695,1696,1697,
 &end
#
#  31 LEU  QD1   120 VAL  QG2      3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 420, 421, 422,
 igr2=1695,1696,1697,
 &end
#
#  31 LEU  QD2    32 LYS  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2    32 LYS  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2    32 LYS  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2    33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 424, 425, 426,
 igr2= 460, 468,
 &end
#
#  31 LEU  QD2    33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 424, 425, 426,
 igr2= 460, 468,
 &end
#
#  31 LEU  QD2    33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 424, 425, 426,
 igr2= 460, 468,
 &end
#
#  31 LEU  QD2    47 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2    47 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2    47 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   115 LYS  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   115 LYS  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   115 LYS  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   115 LYS  HA       5.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   115 LYS  HA       5.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   115 LYS  HA       5.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   116 SER  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   116 SER  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   116 SER  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   116 SER  HA       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1630, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   116 SER  HA       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1630, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   116 SER  HA       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1630, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   116 SER  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1632, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   116 SER  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1632, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   116 SER  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1632, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   117 LEU  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   117 LEU  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   117 LEU  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   117 LEU  HA       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   117 LEU  HA       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   117 LEU  HA       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   118 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   118 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   118 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   119 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   119 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   119 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   120 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   120 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   120 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   120 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   120 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  31 LEU  QD2   120 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 424, 425, 426,
 &end
#
#  32 LYS  HN     32 LYS  HA       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 432, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  32 LYS  HN     32 LYS  HB2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  32 LYS  HN     32 LYS  HB2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  32 LYS  HN     32 LYS  HB2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  32 LYS  HN     32 LYS  HE3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 444, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HN     32 LYS  HE3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 444, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HN     32 LYS  HE3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 444, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HN     32 LYS  QG       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 437, 438,
 &end
#
#  32 LYS  HN     32 LYS  QG       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 437, 438,
 &end
#
#  32 LYS  HN     32 LYS  QG       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 437, 438,
 &end
#
#  32 LYS  HN     33 PHE  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 452, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  32 LYS  HN     33 PHE  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 452, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  32 LYS  HN     33 PHE  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 452, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  32 LYS  HN     33 PHE  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 452, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  32 LYS  HN     33 PHE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 454, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HN     33 PHE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 454, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HN     33 PHE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 454, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HN     33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 460, 468,
 &end
#
#  32 LYS  HN     33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 460, 468,
 &end
#
#  32 LYS  HN     33 PHE  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 460, 468,
 &end
#
#  32 LYS  HN    110 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 430,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 LYS  HN    110 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 430,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 LYS  HN    110 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 430,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 LYS  HN    110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  32 LYS  HN    110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  32 LYS  HN    110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  32 LYS  HN    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HN    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HN    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 430,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HA     32 LYS  HB2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 434, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  32 LYS  HA     32 LYS  HB3      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 435, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  32 LYS  HA     32 LYS  QD       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 440, 441,
 &end
#
#  32 LYS  HA     32 LYS  QD       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 440, 441,
 &end
#
#  32 LYS  HA     32 LYS  QD       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 440, 441,
 &end
#
#  32 LYS  HA     32 LYS  QG       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 437, 438,
 &end
#
#  32 LYS  HA     32 LYS  QG       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 437, 438,
 &end
#
#  32 LYS  HA     32 LYS  QG       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 437, 438,
 &end
#
#  32 LYS  HA     33 PHE  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 452, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  32 LYS  HA     33 PHE  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 452, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  32 LYS  HA     33 PHE  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 452, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  32 LYS  HA     33 PHE  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 452, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  32 LYS  HA     33 PHE  HB2      5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 456, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  32 LYS  HA     33 PHE  HB2      5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 456, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  32 LYS  HA     33 PHE  HB2      5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 456, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  32 LYS  HA    109 VAL  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1509, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  32 LYS  HA    109 VAL  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1509, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  32 LYS  HA    109 VAL  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1509, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  32 LYS  HA    110 THR  HA       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  32 LYS  HA    110 THR  HA       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  32 LYS  HA    110 THR  HA       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  32 LYS  HA    110 THR  HB       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1529, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  32 LYS  HA    110 THR  HB       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1529, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  32 LYS  HA    110 THR  HB       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1529, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  32 LYS  HA    110 THR  QG2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1531,1532,1533,
 &end
#
#  32 LYS  HA    110 THR  QG2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1531,1532,1533,
 &end
#
#  32 LYS  HA    110 THR  QG2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1531,1532,1533,
 &end
#
#  32 LYS  HA    111 ALA  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1539, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  32 LYS  HA    111 ALA  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1539, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  32 LYS  HA    111 ALA  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1539, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  32 LYS  HB2    32 LYS  QD       2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 440, 441,
 &end
#
#  32 LYS  HB2    32 LYS  QD       2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 440, 441,
 &end
#
#  32 LYS  HB2    32 LYS  QD       2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 440, 441,
 &end
#
#  32 LYS  HB2    33 PHE  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 452, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  32 LYS  HB2    33 PHE  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 452, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  32 LYS  HB2    33 PHE  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 452, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  32 LYS  HB2    33 PHE  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 452, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  32 LYS  HB2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 434,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HB2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 434,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HB2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 434,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HB3    32 LYS  QD       2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 440, 441,
 &end
#
#  32 LYS  HB3    32 LYS  QD       2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 440, 441,
 &end
#
#  32 LYS  HB3    32 LYS  QD       2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 440, 441,
 &end
#
#  32 LYS  HB3    33 PHE  HN       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 452, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  32 LYS  HB3    33 PHE  HN       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 452, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  32 LYS  HB3    33 PHE  HN       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 452, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  32 LYS  HB3    34 THR  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 472, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  32 LYS  HB3    34 THR  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 472, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  32 LYS  HB3    34 THR  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 472, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  32 LYS  HB3   110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  32 LYS  HB3   110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  32 LYS  HB3   110 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1531,1532,1533,
 &end
#
#  32 LYS  HE2    34 THR  QG2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 478, 479, 480,
 &end
#
#  32 LYS  HE2    34 THR  QG2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 478, 479, 480,
 &end
#
#  32 LYS  HE2    34 THR  QG2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 478, 479, 480,
 &end
#
#  32 LYS  HE3    32 LYS  HE2      3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 443, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  32 LYS  HE3    33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HE3    33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HE3    33 PHE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HE3    33 PHE  HA       6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  32 LYS  HE3    33 PHE  HA       6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  32 LYS  HE3    33 PHE  HA       6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  32 LYS  HE3   108 PRO  HA       5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 444,1505, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  32 LYS  HE3   108 PRO  HA       5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 444,1505, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  32 LYS  HE3   108 PRO  HA       5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 444,1505, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  32 LYS  HE3   108 PRO  HB2      5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 444,1502, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  32 LYS  HE3   108 PRO  HB2      5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 444,1502, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  32 LYS  HE3   108 PRO  HB2      5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 444,1502, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  32 LYS  HE3   109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 444,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HE3   109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 444,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  HE3   109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 444,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  32 LYS  QD     32 LYS  HE2      3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 440, 441,
 &end
#
#  32 LYS  QD     32 LYS  HE2      3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 440, 441,
 &end
#
#  32 LYS  QD     32 LYS  HE2      3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 440, 441,
 &end
#
#  32 LYS  QD     32 LYS  HE3      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 440, 441,
 &end
#
#  32 LYS  QD     33 PHE  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 440, 441,
 &end
#
#  32 LYS  QD     33 PHE  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 440, 441,
 &end
#
#  32 LYS  QD     33 PHE  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 440, 441,
 &end
#
#  32 LYS  QG     32 LYS  HE2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG     32 LYS  HE2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG     32 LYS  HE2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG     33 PHE  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG     33 PHE  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG     33 PHE  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    110 THR  HA       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    110 THR  HA       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    110 THR  HA       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  32 LYS  QG    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 437, 438,
 &end
#
#  33 PHE  HN     33 PHE  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 454, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  33 PHE  HN     33 PHE  HB2      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 456, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  33 PHE  HN     33 PHE  HB2      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 456, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  33 PHE  HN     33 PHE  HB2      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 456, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  33 PHE  HN     33 PHE  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  33 PHE  HN     33 PHE  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  33 PHE  HN     33 PHE  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  33 PHE  HN     33 PHE  QD       4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 460, 468,
 &end
#
#  33 PHE  HN     33 PHE  QD       4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 460, 468,
 &end
#
#  33 PHE  HN     33 PHE  QD       4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 460, 468,
 &end
#
#  33 PHE  HN     34 THR  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 472, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  33 PHE  HN     47 PHE  QE       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 672, 676,
 &end
#
#  33 PHE  HN     47 PHE  QE       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 672, 676,
 &end
#
#  33 PHE  HN     47 PHE  QE       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 672, 676,
 &end
#
#  33 PHE  HN    108 PRO  HA       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1505, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  33 PHE  HN    108 PRO  HA       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1505, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  33 PHE  HN    108 PRO  HA       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1505, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  33 PHE  HN    109 VAL  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1509, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  33 PHE  HN    109 VAL  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1509, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  33 PHE  HN    109 VAL  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1509, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  33 PHE  HN    109 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HN    109 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HN    109 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HN    109 VAL  QG2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  HN    109 VAL  QG2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  HN    109 VAL  QG2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  HN    110 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1525, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HN    110 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1525, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HN    110 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1525, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HN    110 THR  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1527, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  33 PHE  HN    110 THR  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1527, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  33 PHE  HN    110 THR  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1527, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  33 PHE  HN    110 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1529, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HN    110 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1529, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HN    110 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1529, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HN    110 THR  QG2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2=1531,1532,1533,
 &end
#
#  33 PHE  HN    110 THR  QG2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2=1531,1532,1533,
 &end
#
#  33 PHE  HN    110 THR  QG2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2=1531,1532,1533,
 &end
#
#  33 PHE  HN    111 ALA  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  33 PHE  HN    111 ALA  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  33 PHE  HN    111 ALA  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 452,1539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  33 PHE  HN    111 ALA  QB       6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=1543,1544,1545,
 &end
#
#  33 PHE  HN    111 ALA  QB       6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=1543,1544,1545,
 &end
#
#  33 PHE  HN    111 ALA  QB       6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=1543,1544,1545,
 &end
#
#  33 PHE  HA     33 PHE  HB2      4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 456, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  33 PHE  HA     33 PHE  HB3      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 457, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  33 PHE  HA     33 PHE  QD       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 460, 468,
 &end
#
#  33 PHE  HA     33 PHE  QD       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 460, 468,
 &end
#
#  33 PHE  HA     33 PHE  QD       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 460, 468,
 &end
#
#  33 PHE  HA     34 THR  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 472, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  33 PHE  HA     34 THR  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 472, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  33 PHE  HA     34 THR  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 472, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  33 PHE  HA     34 THR  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 472, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  33 PHE  HA     47 PHE  QE       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2= 672, 676,
 &end
#
#  33 PHE  HA     47 PHE  QE       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2= 672, 676,
 &end
#
#  33 PHE  HA     47 PHE  QE       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2= 672, 676,
 &end
#
#  33 PHE  HA    108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 454,1505, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HA    108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 454,1505, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HA    108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 454,1505, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HA    125 LEU  QD2      5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  HA    125 LEU  QD2      5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  HA    125 LEU  QD2      5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  HB2    33 PHE  QD       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 460, 468,
 &end
#
#  33 PHE  HB2    33 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 464, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HB2    33 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 464, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HB2    33 PHE  HZ       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 464, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HB2    34 THR  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 472, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  33 PHE  HB2    34 THR  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 472, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  33 PHE  HB2    34 THR  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 472, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  33 PHE  HB2    34 THR  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 472, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  33 PHE  HB2    47 PHE  QE       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 672, 676,
 &end
#
#  33 PHE  HB2    47 PHE  QE       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 672, 676,
 &end
#
#  33 PHE  HB2    47 PHE  QE       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 672, 676,
 &end
#
#  33 PHE  HB2    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  HB2    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  HB2    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  HB2   109 VAL  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 456,1509, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  33 PHE  HB2   109 VAL  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 456,1509, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  33 PHE  HB2   109 VAL  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 456,1509, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  33 PHE  HB2   109 VAL  QG2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  HB2   109 VAL  QG2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  HB2   109 VAL  QG2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  HB2   110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 456,1527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HB2   110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 456,1527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HB2   110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 456,1527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HB3    33 PHE  HB2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 456, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  33 PHE  HB3    33 PHE  QD       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 460, 468,
 &end
#
#  33 PHE  HB3    34 THR  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 472, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  33 PHE  HB3    34 THR  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 472, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  33 PHE  HB3    34 THR  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 472, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  33 PHE  HB3    47 PHE  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 676,
 &end
#
#  33 PHE  HB3    47 PHE  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 676,
 &end
#
#  33 PHE  HB3    47 PHE  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 676,
 &end
#
#  33 PHE  HB3    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  33 PHE  HB3    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  33 PHE  HB3    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  33 PHE  HB3   109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 457,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HB3   109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 457,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HB3   109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 457,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HB3   109 VAL  QG2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  HB3   109 VAL  QG2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  HB3   109 VAL  QG2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  QD     34 THR  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 460, 468,
 &end
#
#  33 PHE  QD     34 THR  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 460, 468,
 &end
#
#  33 PHE  QD     34 THR  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 460, 468,
 &end
#
#  33 PHE  QD     94 LEU  QD2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 460, 468,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  QD     94 LEU  QD2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 460, 468,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  QD     94 LEU  QD2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 460, 468,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  QD    109 VAL  QG2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 460, 468,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  QD    109 VAL  QG2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 460, 468,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  QD    109 VAL  QG2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 460, 468,
 igr2=1519,1520,1521,
 &end
#
#  33 PHE  QD    111 ALA  QB       5.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 460, 468,
 igr2=1543,1544,1545,
 &end
#
#  33 PHE  QD    111 ALA  QB       5.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 460, 468,
 igr2=1543,1544,1545,
 &end
#
#  33 PHE  QD    111 ALA  QB       5.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 460, 468,
 igr2=1543,1544,1545,
 &end
#
#  33 PHE  QD    125 LEU  QD2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 460, 468,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  QD    125 LEU  QD2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 460, 468,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  QD    125 LEU  QD2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 460, 468,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  HZ     47 PHE  QD       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 670, 678,
 &end
#
#  33 PHE  HZ     47 PHE  QD       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 670, 678,
 &end
#
#  33 PHE  HZ     47 PHE  QD       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 670, 678,
 &end
#
#  33 PHE  HZ     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  HZ     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  HZ     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  HZ     97 LEU  QD2      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1352,1353,1354,
 &end
#
#  33 PHE  HZ     97 LEU  QD2      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1352,1353,1354,
 &end
#
#  33 PHE  HZ     97 LEU  QD2      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=1352,1353,1354,
 &end
#
#  33 PHE  HZ    125 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,1774, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HZ    125 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,1774, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HZ    125 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,1774, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  33 PHE  HZ    125 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  HZ    125 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  HZ    125 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  HZ    127 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1816,1817,1818,
 &end
#
#  33 PHE  HZ    127 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1816,1817,1818,
 &end
#
#  33 PHE  HZ    127 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1816,1817,1818,
 &end
#
#  33 PHE  QE     33 PHE  HB2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     33 PHE  HB3      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     33 PHE  HZ       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     34 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     47 PHE  HA       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     47 PHE  HA       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     47 PHE  HA       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     47 PHE  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     47 PHE  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     47 PHE  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     47 PHE  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     47 PHE  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     47 PHE  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     47 PHE  QD       3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 462, 466,
 igr2= 670, 678,
 &end
#
#  33 PHE  QE     47 PHE  QD       3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 462, 466,
 igr2= 670, 678,
 &end
#
#  33 PHE  QE     47 PHE  QD       3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 462, 466,
 igr2= 670, 678,
 &end
#
#  33 PHE  QE     94 LEU  QD2      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 462, 466,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  QE     94 LEU  QD2      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 462, 466,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  QE     94 LEU  QD2      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 462, 466,
 igr2=1303,1304,1305,
 &end
#
#  33 PHE  QE     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE     97 LEU  QD1      4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 462, 466,
 igr2=1348,1349,1350,
 &end
#
#  33 PHE  QE     97 LEU  QD1      4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 462, 466,
 igr2=1348,1349,1350,
 &end
#
#  33 PHE  QE     97 LEU  QD1      4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 462, 466,
 igr2=1348,1349,1350,
 &end
#
#  33 PHE  QE     97 LEU  QD2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 462, 466,
 igr2=1352,1353,1354,
 &end
#
#  33 PHE  QE     97 LEU  QD2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 462, 466,
 igr2=1352,1353,1354,
 &end
#
#  33 PHE  QE     97 LEU  QD2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 462, 466,
 igr2=1352,1353,1354,
 &end
#
#  33 PHE  QE    125 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1771, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    125 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1771, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    125 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1771, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    125 LEU  HB3      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1772, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    125 LEU  HB3      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1772, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    125 LEU  HB3      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1772, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    125 LEU  HG       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    125 LEU  HG       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    125 LEU  HG       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    125 LEU  QD1      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 462, 466,
 igr2=1776,1777,1778,
 &end
#
#  33 PHE  QE    125 LEU  QD1      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 462, 466,
 igr2=1776,1777,1778,
 &end
#
#  33 PHE  QE    125 LEU  QD1      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 462, 466,
 igr2=1776,1777,1778,
 &end
#
#  33 PHE  QE    125 LEU  QD2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 462, 466,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  QE    125 LEU  QD2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 462, 466,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  QE    125 LEU  QD2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 462, 466,
 igr2=1780,1781,1782,
 &end
#
#  33 PHE  QE    127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1805, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1805, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1805, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    127 ILE  HG12     6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    127 ILE  HG12     6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    127 ILE  HG12     6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    127 ILE  HG13     6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1814, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    127 ILE  HG13     6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1814, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    127 ILE  HG13     6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1814, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 462, 466,
 &end
#
#  33 PHE  QE    127 ILE  QD1      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 462, 466,
 igr2=1816,1817,1818,
 &end
#
#  33 PHE  QE    127 ILE  QD1      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 462, 466,
 igr2=1816,1817,1818,
 &end
#
#  33 PHE  QE    127 ILE  QD1      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 462, 466,
 igr2=1816,1817,1818,
 &end
#
#  34 THR  HN     34 THR  HA       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  34 THR  HN     34 THR  HB       4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  34 THR  HN     34 THR  HB       4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  34 THR  HN     34 THR  HB       4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  34 THR  HN     34 THR  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 478, 479, 480,
 &end
#
#  34 THR  HN     34 THR  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 478, 479, 480,
 &end
#
#  34 THR  HN     34 THR  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 478, 479, 480,
 &end
#
#  34 THR  HN     35 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 487, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  34 THR  HN     35 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 487, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  34 THR  HN     35 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 487, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  34 THR  HN     35 PRO  HD3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  34 THR  HN     35 PRO  HD3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  34 THR  HN     35 PRO  HD3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  34 THR  HN    108 PRO  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 472,1505, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  34 THR  HN    108 PRO  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 472,1505, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  34 THR  HN    108 PRO  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 472,1505, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  34 THR  HN    109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 472,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  34 THR  HN    109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 472,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  34 THR  HN    109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 472,1509, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  34 THR  HA     34 THR  HB       3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  34 THR  HA     34 THR  HB       3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  34 THR  HA     34 THR  HB       3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  34 THR  HA     34 THR  QG2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 478, 479, 480,
 &end
#
#  34 THR  HA     34 THR  QG2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 478, 479, 480,
 &end
#
#  34 THR  HA     34 THR  QG2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 478, 479, 480,
 &end
#
#  34 THR  HA     35 PRO  HD2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  34 THR  HA     35 PRO  HD2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  34 THR  HA     35 PRO  HD2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  34 THR  HA     35 PRO  HD3      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 488, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  34 THR  HA     35 PRO  HD3      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 488, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  34 THR  HA     35 PRO  HD3      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 488, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  34 THR  HA    108 PRO  HA       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 474,1505, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  34 THR  HA    108 PRO  HA       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 474,1505, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  34 THR  HA    108 PRO  HA       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 474,1505, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  34 THR  HA    108 PRO  HB2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 474,1502, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  34 THR  HA    108 PRO  HB2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 474,1502, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  34 THR  HA    108 PRO  HB2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 474,1502, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  34 THR  HA    109 VAL  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 474,1509, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  34 THR  HA    109 VAL  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 474,1509, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  34 THR  HA    109 VAL  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 474,1509, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  34 THR  QG2    34 THR  HB       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 478, 479, 480,
 &end
#
#  34 THR  QG2    35 PRO  HD3      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 478, 479, 480,
 &end
#
#  34 THR  QG2    35 PRO  HD3      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 478, 479, 480,
 &end
#
#  34 THR  QG2    35 PRO  HD3      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 478, 479, 480,
 &end
#
#  34 THR  QG2   108 PRO  HA       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 478, 479, 480,
 &end
#
#  34 THR  QG2   108 PRO  HA       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 478, 479, 480,
 &end
#
#  34 THR  QG2   108 PRO  HA       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 478, 479, 480,
 &end
#
#  34 THR  QG2   108 PRO  HD2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 478, 479, 480,
 &end
#
#  34 THR  QG2   108 PRO  HD2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 478, 479, 480,
 &end
#
#  34 THR  QG2   108 PRO  HD3      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 478, 479, 480,
 &end
#
#  35 PRO  HA     35 PRO  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 493, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  35 PRO  HA     35 PRO  HG3      5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 491, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  35 PRO  HA     36 HID  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 500, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  35 PRO  HA     36 HID  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 500, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  35 PRO  HA     36 HID  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 500, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  35 PRO  HA     36 HID  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 504, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HA     36 HID  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 504, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HA     36 HID  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 504, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HA     36 HID  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 505, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HA     36 HID  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 505, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HA     36 HID  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 505, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HA     37 LEU  HN       5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 517, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  35 PRO  HA     37 LEU  HN       5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 517, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  35 PRO  HA     37 LEU  HN       5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 517, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  35 PRO  HA     37 LEU  QD1      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 526, 527, 528,
 &end
#
#  35 PRO  HA     37 LEU  QD1      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 526, 527, 528,
 &end
#
#  35 PRO  HA     37 LEU  QD1      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 526, 527, 528,
 &end
#
#  35 PRO  HA     97 LEU  QD1      5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HA     97 LEU  QD1      5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HA     97 LEU  QD1      5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HA    105 ALA  QB       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1460,1461,1462,
 &end
#
#  35 PRO  HA    105 ALA  QB       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1460,1461,1462,
 &end
#
#  35 PRO  HA    105 ALA  QB       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1460,1461,1462,
 &end
#
#  35 PRO  HB2    36 HID  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 500, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  35 PRO  HB2    36 HID  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 500, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  35 PRO  HB2    36 HID  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 500, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  35 PRO  HB2    37 LEU  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 517, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  35 PRO  HB2    37 LEU  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 517, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  35 PRO  HB2    37 LEU  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 517, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  35 PRO  HB2    37 LEU  QD1      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 526, 527, 528,
 &end
#
#  35 PRO  HB2    37 LEU  QD1      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 526, 527, 528,
 &end
#
#  35 PRO  HB2    37 LEU  QD1      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 526, 527, 528,
 &end
#
#  35 PRO  HB2    97 LEU  QD1      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HB2    97 LEU  QD1      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HB2    97 LEU  QD1      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HB2   106 THR  HB       5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 493,1470, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  35 PRO  HB2   106 THR  HB       5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 493,1470, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  35 PRO  HB2   106 THR  HB       5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 493,1470, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  35 PRO  HB3    35 PRO  HA       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  35 PRO  HB3    37 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 517, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HB3    37 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 517, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HB3    37 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 517, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HB3    37 LEU  QD1      5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr2= 526, 527, 528,
 &end
#
#  35 PRO  HB3    37 LEU  QD1      5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr2= 526, 527, 528,
 &end
#
#  35 PRO  HB3    37 LEU  QD1      5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr2= 526, 527, 528,
 &end
#
#  35 PRO  HB3    97 LEU  QD1      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HB3    97 LEU  QD1      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HB3    97 LEU  QD1      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HB3   107 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 494,1480, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HB3   107 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 494,1480, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HB3   107 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 494,1480, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD2    35 PRO  HD3      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 488, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  35 PRO  HD2    35 PRO  HG3      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  35 PRO  HD2    97 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HD2    97 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HD2    97 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HD2   106 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1468, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD2   106 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1468, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD2   106 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1468, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD2   107 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1480, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD2   107 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1480, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD2   107 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1480, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD2   107 GLU  HA       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1482, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  35 PRO  HD2   107 GLU  HA       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1482, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  35 PRO  HD2   107 GLU  HA       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1482, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  35 PRO  HD2   108 PRO  HA       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1505, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  35 PRO  HD2   108 PRO  HA       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1505, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  35 PRO  HD2   108 PRO  HA       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1505, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  35 PRO  HD2   108 PRO  HD2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1496, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  35 PRO  HD2   108 PRO  HD2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1496, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  35 PRO  HD2   108 PRO  HD3      5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1497, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  35 PRO  HD2   109 VAL  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1509, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  35 PRO  HD2   109 VAL  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1509, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  35 PRO  HD2   109 VAL  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1509, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  35 PRO  HD3    35 PRO  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 493, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD3    35 PRO  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 494, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD3    97 LEU  QD1      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HD3    97 LEU  QD1      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HD3    97 LEU  QD1      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HD3   106 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1468, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD3   106 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1468, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD3   106 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1468, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HD3   107 GLU  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1480, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  35 PRO  HD3   107 GLU  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1480, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  35 PRO  HD3   107 GLU  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1480, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  35 PRO  HD3   108 PRO  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1505, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  35 PRO  HD3   108 PRO  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1505, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  35 PRO  HD3   108 PRO  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1505, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  35 PRO  HD3   109 VAL  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1509, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  35 PRO  HD3   109 VAL  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1509, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  35 PRO  HD3   109 VAL  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1509, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  35 PRO  HG2    35 PRO  HA       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 496, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  35 PRO  HG2    35 PRO  HD2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 487, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  35 PRO  HG2    35 PRO  HD3      4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 488, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  35 PRO  HG2    35 PRO  HG3      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 491, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  35 PRO  HG2   106 THR  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 490,1468, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  35 PRO  HG2   106 THR  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 490,1468, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  35 PRO  HG2   106 THR  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 490,1468, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  35 PRO  HG2   106 THR  HB       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 490,1470, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  35 PRO  HG2   106 THR  HB       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 490,1470, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  35 PRO  HG2   106 THR  HB       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 490,1470, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  35 PRO  HG2   107 GLU  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 490,1480, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  35 PRO  HG2   107 GLU  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 490,1480, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  35 PRO  HG2   107 GLU  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 490,1480, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  35 PRO  HG3    35 PRO  HD3      4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 488, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  35 PRO  HG3    97 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HG3    97 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HG3    97 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1348,1349,1350,
 &end
#
#  35 PRO  HG3   105 ALA  QB       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2=1460,1461,1462,
 &end
#
#  35 PRO  HG3   105 ALA  QB       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2=1460,1461,1462,
 &end
#
#  35 PRO  HG3   105 ALA  QB       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2=1460,1461,1462,
 &end
#
#  35 PRO  HG3   106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 491,1466, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HG3   106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 491,1466, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HG3   106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 491,1466, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  35 PRO  HG3   106 THR  HA       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 491,1468, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  35 PRO  HG3   106 THR  HA       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 491,1468, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  35 PRO  HG3   106 THR  HA       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 491,1468, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  35 PRO  HG3   107 GLU  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 491,1480, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  35 PRO  HG3   107 GLU  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 491,1480, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  35 PRO  HG3   107 GLU  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 491,1480, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  36 HID  HN     36 HID  HA       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 502, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  36 HID  HN     36 HID  HB2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  36 HID  HN     36 HID  HB2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  36 HID  HN     36 HID  HB2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  36 HID  HN     36 HID  HB3      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 505, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  36 HID  HN     36 HID  HB3      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 505, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  36 HID  HN     36 HID  HB3      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 505, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  36 HID  HN     36 HID  HD2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 513, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  36 HID  HN     36 HID  HD2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 513, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  36 HID  HN     36 HID  HD2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 513, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  36 HID  HN     37 LEU  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 517, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  36 HID  HN     37 LEU  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 517, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  36 HID  HN     37 LEU  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 517, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  36 HID  HN     37 LEU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 517, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  36 HID  HN     37 LEU  HA       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  36 HID  HN     37 LEU  HA       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  36 HID  HN     37 LEU  HA       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  36 HID  HN     37 LEU  HB2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 521, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  36 HID  HN     37 LEU  HB2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 521, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  36 HID  HN     37 LEU  HB2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 521, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  36 HID  HN     37 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  36 HID  HN     37 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  36 HID  HN     37 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  36 HID  HN     37 LEU  HG       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 524, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  36 HID  HN     37 LEU  HG       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 524, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  36 HID  HN     37 LEU  HG       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 524, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  36 HID  HN     37 LEU  QD1      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HN     37 LEU  QD1      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HN     37 LEU  QD1      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HN     97 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1348,1349,1350,
 &end
#
#  36 HID  HN     97 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1348,1349,1350,
 &end
#
#  36 HID  HN     97 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1348,1349,1350,
 &end
#
#  36 HID  HN    105 ALA  QB       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1460,1461,1462,
 &end
#
#  36 HID  HN    105 ALA  QB       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1460,1461,1462,
 &end
#
#  36 HID  HN    105 ALA  QB       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1460,1461,1462,
 &end
#
#  36 HID  HA     36 HID  HB2      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  36 HID  HA     36 HID  HB3      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 505, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  36 HID  HA     36 HID  HD2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 513, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  36 HID  HA     36 HID  HD2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 513, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  36 HID  HA     36 HID  HD2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 513, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  36 HID  HA     37 LEU  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 517, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  36 HID  HA     37 LEU  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 517, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  36 HID  HA     37 LEU  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 517, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  36 HID  HA     37 LEU  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 517, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  36 HID  HA     37 LEU  HA       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 519, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  36 HID  HA     37 LEU  HA       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 519, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  36 HID  HA     37 LEU  HA       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 519, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  36 HID  HA     37 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  36 HID  HA     37 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  36 HID  HA     37 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  36 HID  HA     38 LYS  QE       5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2= 549, 550,
 &end
#
#  36 HID  HA     38 LYS  QE       5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2= 549, 550,
 &end
#
#  36 HID  HA     38 LYS  QE       5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2= 549, 550,
 &end
#
#  36 HID  HA    105 ALA  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1456, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  36 HID  HA    105 ALA  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1456, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  36 HID  HA    105 ALA  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1456, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  36 HID  HB2    36 HID  HD2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 513, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  36 HID  HB2    36 HID  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 510, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  36 HID  HB2    37 LEU  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 517, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  36 HID  HB2    37 LEU  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 517, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  36 HID  HB2    37 LEU  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 517, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  36 HID  HB2    37 LEU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 517, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  36 HID  HB2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HB2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HB2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HB3    36 HID  HB2      3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 504, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  36 HID  HB3    36 HID  HD2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 513, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  36 HID  HB3    36 HID  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 510, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  36 HID  HB3    37 LEU  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 517, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  36 HID  HB3    37 LEU  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 517, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  36 HID  HB3    37 LEU  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 517, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  36 HID  HB3    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HB3    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HB3    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HD2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HD2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HD2    37 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 526, 527, 528,
 &end
#
#  36 HID  HE1    36 HID  HD2      5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 513, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  37 LEU  HN     37 LEU  HA       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  37 LEU  HN     37 LEU  HB2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 521, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  37 LEU  HN     37 LEU  HB2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 521, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  37 LEU  HN     37 LEU  HB2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 521, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  37 LEU  HN     37 LEU  HB3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  37 LEU  HN     37 LEU  HB3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  37 LEU  HN     37 LEU  HB3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  37 LEU  HN     37 LEU  HG       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 524, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  37 LEU  HN     37 LEU  HG       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 524, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  37 LEU  HN     37 LEU  HG       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 524, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  37 LEU  HN     37 LEU  QD1      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HN     37 LEU  QD1      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HN     37 LEU  QD1      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HN     37 LEU  QD2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  HN     37 LEU  QD2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  HN     37 LEU  QD2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  HN     38 LYS  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 536, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  37 LEU  HN     38 LYS  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 536, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  37 LEU  HN     38 LYS  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 536, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  37 LEU  HN     38 LYS  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 536, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  37 LEU  HN     38 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 549, 550,
 &end
#
#  37 LEU  HN     38 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 549, 550,
 &end
#
#  37 LEU  HN     38 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 549, 550,
 &end
#
#  37 LEU  HN     97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  37 LEU  HN     97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  37 LEU  HN     97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  37 LEU  HN    105 ALA  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 517,1456, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  37 LEU  HN    105 ALA  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 517,1456, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  37 LEU  HN    105 ALA  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 517,1456, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  37 LEU  HN    105 ALA  QB       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  HN    105 ALA  QB       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  HN    105 ALA  QB       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  HA     37 LEU  HB2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 521, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  37 LEU  HA     37 LEU  HB3      4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 522, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  37 LEU  HA     37 LEU  HG       4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 524, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  37 LEU  HA     37 LEU  HG       4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 524, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  37 LEU  HA     37 LEU  HG       4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 524, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  37 LEU  HA     37 LEU  QD1      4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HA     37 LEU  QD1      4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HA     37 LEU  QD1      4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HA     37 LEU  QD2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  HA     37 LEU  QD2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  HA     37 LEU  QD2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  HA     38 LYS  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 536, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  37 LEU  HA     38 LYS  HN       3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 536, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  37 LEU  HA     38 LYS  HN       3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 536, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  37 LEU  HA     38 LYS  HN       3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 536, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  37 LEU  HA     38 LYS  QE       5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr2= 549, 550,
 &end
#
#  37 LEU  HA     38 LYS  QE       5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr2= 549, 550,
 &end
#
#  37 LEU  HA     38 LYS  QE       5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr2= 549, 550,
 &end
#
#  37 LEU  HA     39 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 558, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  37 LEU  HA     39 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 558, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  37 LEU  HA     39 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 558, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  37 LEU  HA     39 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 562, 563, 564,
 &end
#
#  37 LEU  HA     39 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 562, 563, 564,
 &end
#
#  37 LEU  HA     39 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 562, 563, 564,
 &end
#
#  37 LEU  HA     40 LEU  QD1      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 577, 578, 579,
 &end
#
#  37 LEU  HA     40 LEU  QD1      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 577, 578, 579,
 &end
#
#  37 LEU  HA     40 LEU  QD1      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 577, 578, 579,
 &end
#
#  37 LEU  HA    105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 519,1456, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  37 LEU  HA    105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 519,1456, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  37 LEU  HA    105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 519,1456, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  37 LEU  HB2    37 LEU  QD1      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HB2    37 LEU  QD1      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HB2    37 LEU  QD1      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HB2    38 LYS  HN       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 536, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  37 LEU  HB2    38 LYS  HN       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 536, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  37 LEU  HB2    38 LYS  HN       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 536, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  37 LEU  HB2    38 LYS  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 536, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  37 LEU  HB2    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  37 LEU  HB2    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  37 LEU  HB2    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  37 LEU  HB2   105 ALA  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 521,1456, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  37 LEU  HB2   105 ALA  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 521,1456, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  37 LEU  HB2   105 ALA  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 521,1456, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  37 LEU  HB2   105 ALA  QB       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  HB2   105 ALA  QB       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  HB2   105 ALA  QB       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  HB3    37 LEU  HB2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 521, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  37 LEU  HB3    37 LEU  QD1      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HB3    37 LEU  QD1      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HB3    37 LEU  QD1      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 526, 527, 528,
 &end
#
#  37 LEU  HB3    37 LEU  QD2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  HB3    37 LEU  QD2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  HB3    37 LEU  QD2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  HB3   105 ALA  QB       5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  HB3   105 ALA  QB       5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  HB3   105 ALA  QB       5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  HG     37 LEU  QD2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  HG     38 LYS  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 536, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  37 LEU  HG     38 LYS  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 536, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  37 LEU  HG     38 LYS  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 536, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  37 LEU  QD1    37 LEU  HG       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 526, 527, 528,
 &end
#
#  37 LEU  QD1    37 LEU  QD2      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 526, 527, 528,
 igr2= 530, 531, 532,
 &end
#
#  37 LEU  QD1   105 ALA  QB       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1= 526, 527, 528,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  QD1   105 ALA  QB       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1= 526, 527, 528,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  QD1   105 ALA  QB       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1= 526, 527, 528,
 igr2=1460,1461,1462,
 &end
#
#  37 LEU  QD2    38 LYS  HN       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 530, 531, 532,
 &end
#
#  37 LEU  QD2    38 LYS  HN       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 530, 531, 532,
 &end
#
#  37 LEU  QD2    38 LYS  HN       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 530, 531, 532,
 &end
#
#  37 LEU  QD2    38 LYS  QE       5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr1= 530, 531, 532,
 igr2= 549, 550,
 &end
#
#  37 LEU  QD2    38 LYS  QE       5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr1= 530, 531, 532,
 igr2= 549, 550,
 &end
#
#  37 LEU  QD2    38 LYS  QE       5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr1= 530, 531, 532,
 igr2= 549, 550,
 &end
#
#  37 LEU  QD2    39 ALA  QB       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 530, 531, 532,
 igr2= 562, 563, 564,
 &end
#
#  37 LEU  QD2    39 ALA  QB       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 530, 531, 532,
 igr2= 562, 563, 564,
 &end
#
#  37 LEU  QD2    39 ALA  QB       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 530, 531, 532,
 igr2= 562, 563, 564,
 &end
#
#  37 LEU  QD2   149 ALA  QB       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 530, 531, 532,
 igr2=2112,2113,2114,
 &end
#
#  37 LEU  QD2   149 ALA  QB       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 530, 531, 532,
 igr2=2112,2113,2114,
 &end
#
#  37 LEU  QD2   149 ALA  QB       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 530, 531, 532,
 igr2=2112,2113,2114,
 &end
#
#  38 LYS  HN     38 LYS  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 538, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  38 LYS  HN     38 LYS  HG2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 543, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  38 LYS  HN     38 LYS  HG2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 543, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  38 LYS  HN     38 LYS  HG2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 543, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  38 LYS  HN     38 LYS  HG3      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 544, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  38 LYS  HN     38 LYS  HG3      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 544, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  38 LYS  HN     38 LYS  HG3      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 544, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  38 LYS  HN     38 LYS  QB       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 540, 541,
 &end
#
#  38 LYS  HN     38 LYS  QB       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 540, 541,
 &end
#
#  38 LYS  HN     38 LYS  QB       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 540, 541,
 &end
#
#  38 LYS  HN     38 LYS  QD       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 546, 547,
 &end
#
#  38 LYS  HN     38 LYS  QD       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 546, 547,
 &end
#
#  38 LYS  HN     38 LYS  QD       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 546, 547,
 &end
#
#  38 LYS  HN     38 LYS  QE       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 549, 550,
 &end
#
#  38 LYS  HN     38 LYS  QE       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 549, 550,
 &end
#
#  38 LYS  HN     38 LYS  QE       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 549, 550,
 &end
#
#  38 LYS  HN     39 ALA  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 558, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  38 LYS  HN     39 ALA  HN       5.74
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 558, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
#  38 LYS  HN     39 ALA  HN       5.74
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 558, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
#  38 LYS  HN     39 ALA  HN       5.74
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 558, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
#  38 LYS  HN     39 ALA  QB       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 562, 563, 564,
 &end
#
#  38 LYS  HN     39 ALA  QB       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 562, 563, 564,
 &end
#
#  38 LYS  HN     39 ALA  QB       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 562, 563, 564,
 &end
#
#  38 LYS  HN     40 LEU  QD1      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 577, 578, 579,
 &end
#
#  38 LYS  HN     40 LEU  QD1      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 577, 578, 579,
 &end
#
#  38 LYS  HN     40 LEU  QD1      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 577, 578, 579,
 &end
#
#  38 LYS  HN    104 ILE  HA       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 536,1439, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  38 LYS  HN    104 ILE  HA       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 536,1439, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  38 LYS  HN    104 ILE  HA       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 536,1439, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  38 LYS  HN    104 ILE  QG2      5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1443,1444,1445,
 &end
#
#  38 LYS  HN    104 ILE  QG2      5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1443,1444,1445,
 &end
#
#  38 LYS  HN    104 ILE  QG2      5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1443,1444,1445,
 &end
#
#  38 LYS  HA     38 LYS  QB       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 540, 541,
 &end
#
#  38 LYS  HA     38 LYS  QD       5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2= 546, 547,
 &end
#
#  38 LYS  HA     38 LYS  QD       5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2= 546, 547,
 &end
#
#  38 LYS  HA     38 LYS  QD       5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2= 546, 547,
 &end
#
#  38 LYS  HA     38 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 549, 550,
 &end
#
#  38 LYS  HA     38 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 549, 550,
 &end
#
#  38 LYS  HA     38 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 549, 550,
 &end
#
#  38 LYS  HA     39 ALA  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 558, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  38 LYS  HA     39 ALA  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 558, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  38 LYS  HA     39 ALA  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 558, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  38 LYS  HA     39 ALA  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 558, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  38 LYS  HA     39 ALA  HA       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 560, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  38 LYS  HA     39 ALA  HA       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 560, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  38 LYS  HA     39 ALA  HA       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 560, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  38 LYS  HA     39 ALA  QB       5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2= 562, 563, 564,
 &end
#
#  38 LYS  HA     39 ALA  QB       5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2= 562, 563, 564,
 &end
#
#  38 LYS  HA     39 ALA  QB       5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2= 562, 563, 564,
 &end
#
#  38 LYS  HA     40 LEU  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 568, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  38 LYS  HA     40 LEU  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 568, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  38 LYS  HA     40 LEU  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 568, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  38 LYS  HA     40 LEU  QD1      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2= 577, 578, 579,
 &end
#
#  38 LYS  HA     40 LEU  QD1      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2= 577, 578, 579,
 &end
#
#  38 LYS  HA     40 LEU  QD1      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2= 577, 578, 579,
 &end
#
#  38 LYS  HA     40 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 581, 582, 583,
 &end
#
#  38 LYS  HA     40 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 581, 582, 583,
 &end
#
#  38 LYS  HA     40 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 581, 582, 583,
 &end
#
#  38 LYS  HA    104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  38 LYS  HA    104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  38 LYS  HA    104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  38 LYS  HA    104 ILE  HA       3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1439, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  38 LYS  HA    104 ILE  HA       3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1439, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  38 LYS  HA    104 ILE  HA       3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1439, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  38 LYS  HA    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  38 LYS  HA    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  38 LYS  HA    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  38 LYS  HA    104 ILE  HG12     4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1447, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  38 LYS  HA    104 ILE  HG12     4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1447, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  38 LYS  HA    104 ILE  HG12     4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1447, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  38 LYS  HA    104 ILE  HG13     5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1448, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  38 LYS  HA    104 ILE  HG13     5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1448, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  38 LYS  HA    104 ILE  HG13     5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1448, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  38 LYS  HA    104 ILE  QD1      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1450,1451,1452,
 &end
#
#  38 LYS  HA    104 ILE  QD1      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1450,1451,1452,
 &end
#
#  38 LYS  HA    104 ILE  QD1      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1450,1451,1452,
 &end
#
#  38 LYS  HA    104 ILE  QG2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1443,1444,1445,
 &end
#
#  38 LYS  HA    104 ILE  QG2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1443,1444,1445,
 &end
#
#  38 LYS  HA    104 ILE  QG2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1443,1444,1445,
 &end
#
#  38 LYS  HA    105 ALA  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1456, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  38 LYS  HA    105 ALA  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1456, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  38 LYS  HA    105 ALA  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 538,1456, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  38 LYS  HB2    39 ALA  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 558, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  38 LYS  HG2    38 LYS  HG3      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 544, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  38 LYS  HG2    38 LYS  QE       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 549, 550,
 &end
#
#  38 LYS  HG2    38 LYS  QE       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 549, 550,
 &end
#
#  38 LYS  HG2    38 LYS  QE       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 549, 550,
 &end
#
#  38 LYS  HG2    39 ALA  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 558, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  38 LYS  HG2    39 ALA  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 558, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  38 LYS  HG2    39 ALA  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 558, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  38 LYS  HG3    38 LYS  QD       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 546, 547,
 &end
#
#  38 LYS  HG3    38 LYS  QE       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 549, 550,
 &end
#
#  38 LYS  HG3    38 LYS  QE       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 549, 550,
 &end
#
#  38 LYS  HG3    38 LYS  QE       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 549, 550,
 &end
#
#  38 LYS  HG3    39 ALA  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 558, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  38 LYS  HG3    39 ALA  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 558, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  38 LYS  HG3    39 ALA  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 558, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  38 LYS  QB     38 LYS  HG3      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 540, 541,
 &end
#
#  38 LYS  QB     38 LYS  QE       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 540, 541,
 igr2= 549, 550,
 &end
#
#  38 LYS  QB     38 LYS  QE       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 540, 541,
 igr2= 549, 550,
 &end
#
#  38 LYS  QB     38 LYS  QE       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 540, 541,
 igr2= 549, 550,
 &end
#
#  38 LYS  QB     39 ALA  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 540, 541,
 &end
#
#  38 LYS  QB     39 ALA  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 540, 541,
 &end
#
#  38 LYS  QB     39 ALA  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 540, 541,
 &end
#
#  38 LYS  QB     40 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 540, 541,
 &end
#
#  38 LYS  QB     40 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 540, 541,
 &end
#
#  38 LYS  QB     40 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 540, 541,
 &end
#
#  38 LYS  QB    104 ILE  HG13     4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 540, 541,
 &end
#
#  38 LYS  QB    104 ILE  HG13     4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 540, 541,
 &end
#
#  38 LYS  QB    104 ILE  HG13     4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 540, 541,
 &end
#
#  38 LYS  QB    104 ILE  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 540, 541,
 igr2=1450,1451,1452,
 &end
#
#  38 LYS  QB    104 ILE  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 540, 541,
 igr2=1450,1451,1452,
 &end
#
#  38 LYS  QB    104 ILE  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 540, 541,
 igr2=1450,1451,1452,
 &end
#
#  38 LYS  QB    104 ILE  QG2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 540, 541,
 igr2=1443,1444,1445,
 &end
#
#  38 LYS  QB    104 ILE  QG2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 540, 541,
 igr2=1443,1444,1445,
 &end
#
#  38 LYS  QB    104 ILE  QG2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 540, 541,
 igr2=1443,1444,1445,
 &end
#
#  38 LYS  QD     38 LYS  QE       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 546, 547,
 igr2= 549, 550,
 &end
#
#  38 LYS  QD     39 ALA  HN       5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 546, 547,
 &end
#
#  38 LYS  QD     39 ALA  HN       5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 546, 547,
 &end
#
#  38 LYS  QD     39 ALA  HN       5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 546, 547,
 &end
#
#  38 LYS  QE     39 ALA  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 549, 550,
 &end
#
#  38 LYS  QE     39 ALA  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 549, 550,
 &end
#
#  38 LYS  QE     39 ALA  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 549, 550,
 &end
#
#  38 LYS  QE     39 ALA  QB       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 549, 550,
 igr2= 562, 563, 564,
 &end
#
#  38 LYS  QE     39 ALA  QB       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 549, 550,
 igr2= 562, 563, 564,
 &end
#
#  38 LYS  QE     39 ALA  QB       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 549, 550,
 igr2= 562, 563, 564,
 &end
#
#  38 LYS  QE     40 LEU  QD1      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 549, 550,
 igr2= 577, 578, 579,
 &end
#
#  38 LYS  QE     40 LEU  QD1      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 549, 550,
 igr2= 577, 578, 579,
 &end
#
#  38 LYS  QE     40 LEU  QD1      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 549, 550,
 igr2= 577, 578, 579,
 &end
#
#  38 LYS  QE    104 ILE  HG13     5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 549, 550,
 &end
#
#  38 LYS  QE    104 ILE  HG13     5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 549, 550,
 &end
#
#  38 LYS  QE    104 ILE  HG13     5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 549, 550,
 &end
#
#  39 ALA  HN     39 ALA  HA       3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 560, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  39 ALA  HN     39 ALA  HA       3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 560, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  39 ALA  HN     39 ALA  HA       3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 560, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  39 ALA  HN     39 ALA  QB       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 562, 563, 564,
 &end
#
#  39 ALA  HN     39 ALA  QB       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 562, 563, 564,
 &end
#
#  39 ALA  HN     39 ALA  QB       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 562, 563, 564,
 &end
#
#  39 ALA  HN     40 LEU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 568, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  39 ALA  HN     40 LEU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 568, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  39 ALA  HN     40 LEU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 568, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  39 ALA  HN     40 LEU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 568, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  39 ALA  HN     40 LEU  HG       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 575, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  39 ALA  HN     40 LEU  HG       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 575, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  39 ALA  HN     40 LEU  HG       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 575, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  39 ALA  HN     40 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 577, 578, 579,
 &end
#
#  39 ALA  HN     40 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 577, 578, 579,
 &end
#
#  39 ALA  HN     40 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 577, 578, 579,
 &end
#
#  39 ALA  HN     40 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 581, 582, 583,
 &end
#
#  39 ALA  HN     40 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 581, 582, 583,
 &end
#
#  39 ALA  HN     40 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 581, 582, 583,
 &end
#
#  39 ALA  HN    104 ILE  HA       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 558,1439, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  39 ALA  HN    104 ILE  HA       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 558,1439, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  39 ALA  HN    104 ILE  HA       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 558,1439, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  39 ALA  HN    104 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 558,1448, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  39 ALA  HN    104 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 558,1448, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  39 ALA  HN    104 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 558,1448, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  39 ALA  HA     40 LEU  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 568, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  39 ALA  HA     40 LEU  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 568, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  39 ALA  HA     40 LEU  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 568, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  39 ALA  HA     40 LEU  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 568, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  39 ALA  QB     40 LEU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 562, 563, 564,
 &end
#
#  39 ALA  QB     39 ALA  HA       3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 562, 563, 564,
 &end
#
#  39 ALA  QB     40 LEU  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 562, 563, 564,
 &end
#
#  39 ALA  QB     40 LEU  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 562, 563, 564,
 &end
#
#  39 ALA  QB     40 LEU  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 562, 563, 564,
 &end
#
#  39 ALA  QB    148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 562, 563, 564,
 igr2=2095,2104,
 &end
#
#  39 ALA  QB    148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 562, 563, 564,
 igr2=2095,2104,
 &end
#
#  39 ALA  QB    148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 562, 563, 564,
 igr2=2095,2104,
 &end
#
#  40 LEU  HN     40 LEU  HA       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 570, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  40 LEU  HN     40 LEU  HB2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 572, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  40 LEU  HN     40 LEU  HB2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 572, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  40 LEU  HN     40 LEU  HB2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 572, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  40 LEU  HN     40 LEU  HB3      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 573, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  40 LEU  HN     40 LEU  HB3      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 573, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  40 LEU  HN     40 LEU  HB3      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 573, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  40 LEU  HN     40 LEU  HG       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 575, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  40 LEU  HN     40 LEU  HG       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 575, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  40 LEU  HN     40 LEU  HG       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 575, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  40 LEU  HN     40 LEU  QD1      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 577, 578, 579,
 &end
#
#  40 LEU  HN     40 LEU  QD1      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 577, 578, 579,
 &end
#
#  40 LEU  HN     40 LEU  QD1      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 577, 578, 579,
 &end
#
#  40 LEU  HN     40 LEU  QD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 581, 582, 583,
 &end
#
#  40 LEU  HN     40 LEU  QD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 581, 582, 583,
 &end
#
#  40 LEU  HN     40 LEU  QD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 581, 582, 583,
 &end
#
#  40 LEU  HN     41 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 588, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HN     41 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 588, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HN     41 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 588, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HN     41 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 589, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HN     41 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 589, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HN     41 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 589, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HN    103 GLY  HA2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 568,1432, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  40 LEU  HN    103 GLY  HA2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 568,1432, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  40 LEU  HN    103 GLY  HA2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 568,1432, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  40 LEU  HN    104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 568,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HN    104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 568,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HN    104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 568,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HN    148 TYR  QE       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=2097,2102,
 &end
#
#  40 LEU  HN    148 TYR  QE       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=2097,2102,
 &end
#
#  40 LEU  HN    148 TYR  QE       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=2097,2102,
 &end
#
#  40 LEU  HA     40 LEU  QD2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 581, 582, 583,
 &end
#
#  40 LEU  HA     40 LEU  QD2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 581, 582, 583,
 &end
#
#  40 LEU  HA     40 LEU  QD2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 581, 582, 583,
 &end
#
#  40 LEU  HA     41 PRO  HD2      3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 588, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  40 LEU  HA     41 PRO  HD2      3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 588, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  40 LEU  HA     41 PRO  HD2      3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 588, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  40 LEU  HA    148 TYR  QD       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=2095,2104,
 &end
#
#  40 LEU  HA    148 TYR  QD       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=2095,2104,
 &end
#
#  40 LEU  HA    148 TYR  QD       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=2095,2104,
 &end
#
#  40 LEU  HA    148 TYR  QE       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=2097,2102,
 &end
#
#  40 LEU  HA    148 TYR  QE       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=2097,2102,
 &end
#
#  40 LEU  HA    148 TYR  QE       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=2097,2102,
 &end
#
#  40 LEU  HB2    40 LEU  QD1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 577, 578, 579,
 &end
#
#  40 LEU  HB2    40 LEU  QD1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 577, 578, 579,
 &end
#
#  40 LEU  HB2    40 LEU  QD1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 577, 578, 579,
 &end
#
#  40 LEU  HB2    41 PRO  HD2      5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 588, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  40 LEU  HB2    41 PRO  HD2      5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 588, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  40 LEU  HB2    41 PRO  HD2      5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 588, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  40 LEU  HB2    41 PRO  HD3      5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 589, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  40 LEU  HB2    41 PRO  HD3      5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 589, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  40 LEU  HB2    41 PRO  HD3      5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 589, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  40 LEU  HB2    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HB2    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HB2    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HB2   148 TYR  HB3      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 572,2092, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  40 LEU  HB2   148 TYR  HB3      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 572,2092, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  40 LEU  HB2   148 TYR  HB3      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 572,2092, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  40 LEU  HB2   148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
#  40 LEU  HB2   148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
#  40 LEU  HB2   148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
#  40 LEU  HB2   148 TYR  QE       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=2097,2102,
 &end
#
#  40 LEU  HB2   148 TYR  QE       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=2097,2102,
 &end
#
#  40 LEU  HB2   148 TYR  QE       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=2097,2102,
 &end
#
#  40 LEU  HB3    40 LEU  HB2      3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 572, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  40 LEU  HB3    40 LEU  HG       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 575, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  40 LEU  HB3    41 PRO  HA       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 597, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  40 LEU  HB3    41 PRO  HA       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 597, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  40 LEU  HB3    41 PRO  HA       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 597, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  40 LEU  HB3    41 PRO  HD2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 588, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  40 LEU  HB3    41 PRO  HD2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 588, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  40 LEU  HB3    41 PRO  HD2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 588, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  40 LEU  HB3    99 VAL  QG1      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1380,1381,1382,
 &end
#
#  40 LEU  HB3    99 VAL  QG1      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1380,1381,1382,
 &end
#
#  40 LEU  HB3    99 VAL  QG1      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1380,1381,1382,
 &end
#
#  40 LEU  HB3   148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
#  40 LEU  HB3   148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
#  40 LEU  HB3   148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
#  40 LEU  HG     40 LEU  QD1      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 577, 578, 579,
 &end
#
#  40 LEU  HG     41 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 588, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HG     41 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 588, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HG     41 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 588, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HG    104 ILE  HA       5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 575,1439, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  40 LEU  HG    104 ILE  HA       5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 575,1439, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  40 LEU  HG    104 ILE  HA       5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 575,1439, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  40 LEU  HG    105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 575,1456, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HG    105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 575,1456, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HG    105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 575,1456, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  40 LEU  HG    148 TYR  QD       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=2095,2104,
 &end
#
#  40 LEU  HG    148 TYR  QD       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=2095,2104,
 &end
#
#  40 LEU  HG    148 TYR  QD       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=2095,2104,
 &end
#
#  40 LEU  QD1    41 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    41 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    41 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    43 GLY  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 615, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    43 GLY  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 615, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    43 GLY  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 615, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    99 VAL  HB       5.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    99 VAL  HB       5.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1    99 VAL  HB       5.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   100 ASN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   100 ASN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   100 ASN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   104 ILE  HA       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   104 ILE  HA       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   104 ILE  HA       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   105 ALA  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   105 ALA  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   105 ALA  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 577, 578, 579,
 &end
#
#  40 LEU  QD1   105 ALA  QB       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 igr2=1460,1461,1462,
 &end
#
#  40 LEU  QD1   105 ALA  QB       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 igr2=1460,1461,1462,
 &end
#
#  40 LEU  QD1   105 ALA  QB       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 577, 578, 579,
 igr2=1460,1461,1462,
 &end
#
#  40 LEU  QD1   148 TYR  QD       6.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
 igr1= 577, 578, 579,
 igr2=2095,2104,
 &end
#
#  40 LEU  QD1   148 TYR  QD       6.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
 igr1= 577, 578, 579,
 igr2=2095,2104,
 &end
#
#  40 LEU  QD1   148 TYR  QD       6.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
 igr1= 577, 578, 579,
 igr2=2095,2104,
 &end
#
#  40 LEU  QD2    40 LEU  QD1      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 581, 582, 583,
 igr2= 577, 578, 579,
 &end
#
#  40 LEU  QD2    41 PRO  HD2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    41 PRO  HD2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    41 PRO  HD2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    41 PRO  HD3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    41 PRO  HD3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    41 PRO  HD3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    45 HIP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    45 HIP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    45 HIP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    45 HIP  HD2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    45 HIP  HD2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    45 HIP  HD2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2    99 VAL  QG1      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 581, 582, 583,
 igr2=1380,1381,1382,
 &end
#
#  40 LEU  QD2    99 VAL  QG1      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 581, 582, 583,
 igr2=1380,1381,1382,
 &end
#
#  40 LEU  QD2    99 VAL  QG1      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 581, 582, 583,
 igr2=1380,1381,1382,
 &end
#
#  40 LEU  QD2   105 ALA  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2   105 ALA  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2   105 ALA  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 581, 582, 583,
 &end
#
#  40 LEU  QD2   148 TYR  QD       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 581, 582, 583,
 igr2=2095,2104,
 &end
#
#  40 LEU  QD2   148 TYR  QD       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 581, 582, 583,
 igr2=2095,2104,
 &end
#
#  40 LEU  QD2   148 TYR  QD       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 581, 582, 583,
 igr2=2095,2104,
 &end
#
#  40 LEU  QD2   148 TYR  QE       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 581, 582, 583,
 igr2=2097,2102,
 &end
#
#  40 LEU  QD2   148 TYR  QE       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 581, 582, 583,
 igr2=2097,2102,
 &end
#
#  40 LEU  QD2   148 TYR  QE       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 581, 582, 583,
 igr2=2097,2102,
 &end
#
#  41 PRO  HA     41 PRO  HD2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 588, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  41 PRO  HA     41 PRO  HD3      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 589, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  41 PRO  HA     41 PRO  HG3      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 592, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  41 PRO  HA     42 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 611, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HA     42 PRO  HD2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 602, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  41 PRO  HA     42 PRO  HD2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 602, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  41 PRO  HA     42 PRO  HD2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 602, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  41 PRO  HA     42 PRO  HD3      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 603, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  41 PRO  HA     42 PRO  HD3      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 603, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  41 PRO  HA     42 PRO  HD3      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 603, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  41 PRO  HA     42 PRO  HG2      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 605, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  41 PRO  HA     42 PRO  HG2      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 605, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  41 PRO  HA     42 PRO  HG2      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 605, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  41 PRO  HA     42 PRO  HG3      5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 606, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  41 PRO  HA     42 PRO  HG3      5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 606, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  41 PRO  HA     42 PRO  HG3      5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 606, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  41 PRO  HA     43 GLY  HN       6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 615, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  41 PRO  HA    103 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 597,1433, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HA    103 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 597,1433, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HA    103 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 597,1433, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HB2    41 PRO  HA       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 597, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  41 PRO  HB2    41 PRO  HD3      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 589, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  41 PRO  HB2    41 PRO  HG3      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 592, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  41 PRO  HB2    42 PRO  HD2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 602, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  41 PRO  HB2    42 PRO  HD2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 602, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  41 PRO  HB2    42 PRO  HD2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 602, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  41 PRO  HB2    45 HIP  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 647, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HB2    45 HIP  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 647, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HB2    45 HIP  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 647, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HB3    41 PRO  HB2      3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 594, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  41 PRO  HB3    41 PRO  HD3      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 589, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  41 PRO  HB3    41 PRO  HG2      2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 591, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  41 PRO  HB3    43 GLY  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 615, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  41 PRO  HB3    43 GLY  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 615, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  41 PRO  HB3    43 GLY  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 615, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  41 PRO  HB3    45 HIP  HE1      5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 647, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  41 PRO  HB3    45 HIP  HE1      5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 647, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  41 PRO  HB3    45 HIP  HE1      5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 647, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  41 PRO  HB3    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HB3    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HB3    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HD2    41 PRO  HD3      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 589, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  41 PRO  HD2    45 HIP  HE1      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 647, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  41 PRO  HD2    45 HIP  HE1      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 647, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  41 PRO  HD2    45 HIP  HE1      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 647, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  41 PRO  HD2    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HD2    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HD2    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  41 PRO  HD2    99 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1384,1385,1386,
 &end
#
#  41 PRO  HD2    99 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1384,1385,1386,
 &end
#
#  41 PRO  HD2    99 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1384,1385,1386,
 &end
#
#  41 PRO  HD2   148 TYR  QD       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=2095,2104,
 &end
#
#  41 PRO  HD2   148 TYR  QD       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=2095,2104,
 &end
#
#  41 PRO  HD2   148 TYR  QD       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=2095,2104,
 &end
#
#  41 PRO  HD2   148 TYR  QE       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=2097,2102,
 &end
#
#  41 PRO  HD2   148 TYR  QE       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=2097,2102,
 &end
#
#  41 PRO  HD2   148 TYR  QE       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=2097,2102,
 &end
#
#  41 PRO  HD3   148 TYR  QD       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2=2095,2104,
 &end
#
#  41 PRO  HD3   148 TYR  QD       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2=2095,2104,
 &end
#
#  41 PRO  HD3   148 TYR  QD       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2=2095,2104,
 &end
#
#  41 PRO  HG2    41 PRO  HA       4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 597, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  41 PRO  HG2    41 PRO  HD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 588, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  41 PRO  HG3    41 PRO  HB3      2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 595, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  41 PRO  HG3    41 PRO  HD2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 588, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  41 PRO  HG3    41 PRO  HD3      4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 589, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  41 PRO  HG3    41 PRO  HG2      3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 591, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#  41 PRO  HG3    43 GLY  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 615, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  41 PRO  HG3    43 GLY  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 615, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  41 PRO  HG3    43 GLY  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 615, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  41 PRO  HG3    45 HIP  HE1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 647, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  41 PRO  HG3    45 HIP  HE1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 647, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  41 PRO  HG3    45 HIP  HE1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 647, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  41 PRO  HG3    45 HIP  HNE      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 649, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  41 PRO  HG3    45 HIP  HNE      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 649, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  41 PRO  HG3    45 HIP  HNE      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 649, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  42 PRO  HA     42 PRO  HG3      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 606, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  42 PRO  HA     43 GLY  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  42 PRO  HA     43 GLY  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  42 PRO  HA     43 GLY  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  42 PRO  HA     43 GLY  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  42 PRO  HA     45 HIP  HNE      6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 649, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  42 PRO  HA     45 HIP  HNE      6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 649, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  42 PRO  HA     45 HIP  HNE      6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 649, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  42 PRO  HA     99 VAL  HN       5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1374, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  42 PRO  HA     99 VAL  HN       5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1374, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  42 PRO  HA     99 VAL  HN       5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1374, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  42 PRO  HA     99 VAL  QG2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1384,1385,1386,
 &end
#
#  42 PRO  HA     99 VAL  QG2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1384,1385,1386,
 &end
#
#  42 PRO  HA     99 VAL  QG2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1384,1385,1386,
 &end
#
#  42 PRO  HA    100 ASN  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1390, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  42 PRO  HA    100 ASN  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1390, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  42 PRO  HA    100 ASN  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1390, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  42 PRO  HA    101 ASN  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1406, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  42 PRO  HA    101 ASN  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1406, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  42 PRO  HA    101 ASN  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1406, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  42 PRO  HB2    42 PRO  HA       4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 611, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  42 PRO  HB2    43 GLY  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 615, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  42 PRO  HB2    43 GLY  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 615, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  42 PRO  HB2    43 GLY  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 615, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  42 PRO  HB2    43 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 615, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  42 PRO  HB2   101 ASN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HB2   101 ASN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HB2   101 ASN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1404, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HB2   101 ASN  HA       4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1406, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  42 PRO  HB2   101 ASN  HA       4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1406, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  42 PRO  HB2   101 ASN  HA       4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1406, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  42 PRO  HB2   101 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HB2   101 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HB2   101 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HB3    42 PRO  HA       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 611, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  42 PRO  HB3    42 PRO  HD2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 602, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  42 PRO  HB3    43 GLY  HN       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 615, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  42 PRO  HB3    43 GLY  HN       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 615, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  42 PRO  HB3    43 GLY  HN       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 615, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  42 PRO  HB3   103 GLY  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 609,1430, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  42 PRO  HB3   103 GLY  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 609,1430, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  42 PRO  HB3   103 GLY  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 609,1430, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  42 PRO  HD2    43 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 615, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HD2    43 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 615, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HD2    43 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 615, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HD2    99 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1384,1385,1386,
 &end
#
#  42 PRO  HD2    99 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1384,1385,1386,
 &end
#
#  42 PRO  HD2    99 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1384,1385,1386,
 &end
#
#  42 PRO  HD3    42 PRO  HD2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 602, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  42 PRO  HD3    42 PRO  HG3      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 606, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  42 PRO  HD3    43 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 615, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HD3    43 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 615, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HD3    43 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 615, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HD3   103 GLY  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 603,1430, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  42 PRO  HD3   103 GLY  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 603,1430, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  42 PRO  HD3   103 GLY  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 603,1430, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  42 PRO  HG2   101 ASN  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1406, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  42 PRO  HG2   101 ASN  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1406, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  42 PRO  HG2   101 ASN  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1406, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  42 PRO  HG2   102 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1418, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG2   102 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1418, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG2   102 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1418, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG2   103 GLY  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1430, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  42 PRO  HG2   103 GLY  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1430, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  42 PRO  HG2   103 GLY  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1430, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  42 PRO  HG3    42 PRO  HD2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 602, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  42 PRO  HG3    42 PRO  HG2      3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 605, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  42 PRO  HG3    43 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 615, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG3    43 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 615, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG3    43 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 615, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG3    43 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 617, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG3    43 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 617, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG3    43 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 617, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG3   101 ASN  HA       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 606,1406, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  42 PRO  HG3   101 ASN  HA       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 606,1406, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  42 PRO  HG3   101 ASN  HA       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 606,1406, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  42 PRO  HG3   101 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606,1408, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG3   101 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606,1408, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG3   101 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606,1408, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  42 PRO  HG3   103 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 606,1430, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  42 PRO  HG3   103 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 606,1430, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  42 PRO  HG3   103 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 606,1430, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  43 GLY  HN     43 GLY  HA2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 617, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  43 GLY  HN     43 GLY  HA3      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 618, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  43 GLY  HN     44 GLU  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 622, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  43 GLY  HN     44 GLU  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 622, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  43 GLY  HN     44 GLU  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 622, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  43 GLY  HN     44 GLU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 622, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  43 GLY  HN     45 HIP  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 651, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  43 GLY  HN     45 HIP  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 651, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  43 GLY  HN     45 HIP  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 651, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  43 GLY  HN     99 VAL  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 615,1374, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  43 GLY  HN     99 VAL  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 615,1374, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  43 GLY  HN     99 VAL  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 615,1374, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  43 GLY  HN     99 VAL  QG1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1380,1381,1382,
 &end
#
#  43 GLY  HN     99 VAL  QG1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1380,1381,1382,
 &end
#
#  43 GLY  HN     99 VAL  QG1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1380,1381,1382,
 &end
#
#  43 GLY  HN     99 VAL  QG2      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1384,1385,1386,
 &end
#
#  43 GLY  HN     99 VAL  QG2      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1384,1385,1386,
 &end
#
#  43 GLY  HN     99 VAL  QG2      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1384,1385,1386,
 &end
#
#  43 GLY  HA2    43 GLY  HA3      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 618, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  43 GLY  HA2    44 GLU  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  43 GLY  HA2    44 GLU  HN       3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  43 GLY  HA2    44 GLU  HN       3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  43 GLY  HA2    44 GLU  HN       3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  43 GLY  HA2    45 HIP  HD2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 651, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  43 GLY  HA2    45 HIP  HD2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 651, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  43 GLY  HA2    45 HIP  HD2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 651, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  43 GLY  HA3    44 GLU  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  43 GLY  HA3    44 GLU  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  43 GLY  HA3    44 GLU  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  43 GLY  HA3    44 GLU  HG3      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 630, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  43 GLY  HA3    44 GLU  HG3      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 630, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  43 GLY  HA3    44 GLU  HG3      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 630, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  43 GLY  HA3    99 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1384,1385,1386,
 &end
#
#  43 GLY  HA3    99 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1384,1385,1386,
 &end
#
#  43 GLY  HA3    99 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1384,1385,1386,
 &end
#
#  44 GLU  HN     44 GLU  HA       4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 624, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  44 GLU  HN     44 GLU  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 626, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  44 GLU  HN     44 GLU  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 626, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  44 GLU  HN     44 GLU  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 626, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  44 GLU  HN     44 GLU  HB3      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 627, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  44 GLU  HN     44 GLU  HB3      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 627, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  44 GLU  HN     44 GLU  HB3      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 627, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  44 GLU  HN     44 GLU  HG2      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 629, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  44 GLU  HN     44 GLU  HG2      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 629, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  44 GLU  HN     44 GLU  HG2      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 629, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  44 GLU  HN     44 GLU  HG3      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 630, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  44 GLU  HN     44 GLU  HG3      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 630, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  44 GLU  HN     44 GLU  HG3      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 630, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  44 GLU  HN     45 HIP  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 637, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  44 GLU  HN     45 HIP  HN       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 637, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  44 GLU  HN     45 HIP  HN       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 637, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  44 GLU  HN     45 HIP  HN       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 637, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  44 GLU  HN     45 HIP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 639, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HN     45 HIP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 639, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HN     45 HIP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 639, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HN     45 HIP  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 651, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HN     45 HIP  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 651, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HN     45 HIP  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 651, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HN     45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HN     45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HN     45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HN     98 VAL  HA       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1360, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  44 GLU  HN     98 VAL  HA       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1360, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  44 GLU  HN     98 VAL  HA       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1360, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  44 GLU  HN     98 VAL  QG1      5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=1364,1365,1366,
 &end
#
#  44 GLU  HN     98 VAL  QG1      5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=1364,1365,1366,
 &end
#
#  44 GLU  HN     98 VAL  QG1      5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=1364,1365,1366,
 &end
#
#  44 GLU  HN     98 VAL  QG2      5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr2=1368,1369,1370,
 &end
#
#  44 GLU  HN     98 VAL  QG2      5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr2=1368,1369,1370,
 &end
#
#  44 GLU  HN     98 VAL  QG2      5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr2=1368,1369,1370,
 &end
#
#  44 GLU  HN     99 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44 GLU  HN     99 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44 GLU  HN     99 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44 GLU  HN     99 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1380,1381,1382,
 &end
#
#  44 GLU  HN     99 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1380,1381,1382,
 &end
#
#  44 GLU  HN     99 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1380,1381,1382,
 &end
#
#  44 GLU  HA     44 GLU  HB3      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 627, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  44 GLU  HA     44 GLU  HG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 629, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  44 GLU  HA     44 GLU  HG3      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 630, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  44 GLU  HA     45 HIP  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 637, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  44 GLU  HA     45 HIP  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 637, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  44 GLU  HA     45 HIP  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 637, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  44 GLU  HA     45 HIP  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 637, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  44 GLU  HA     45 HIP  HD2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 651, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  44 GLU  HA     45 HIP  HD2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 651, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  44 GLU  HA     45 HIP  HD2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 651, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  44 GLU  HA     97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HA     97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HA     97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HA     98 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1358, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HA     98 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1358, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HA     98 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1358, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  44 GLU  HA     98 VAL  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1360, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  44 GLU  HA     98 VAL  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1360, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  44 GLU  HA     98 VAL  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1360, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  44 GLU  HA     98 VAL  QG1      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1364,1365,1366,
 &end
#
#  44 GLU  HA     98 VAL  QG1      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1364,1365,1366,
 &end
#
#  44 GLU  HA     98 VAL  QG1      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1364,1365,1366,
 &end
#
#  44 GLU  HA     98 VAL  QG2      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1368,1369,1370,
 &end
#
#  44 GLU  HA     98 VAL  QG2      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1368,1369,1370,
 &end
#
#  44 GLU  HA     98 VAL  QG2      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1368,1369,1370,
 &end
#
#  44 GLU  HA     99 VAL  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1374, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  44 GLU  HA     99 VAL  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1374, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  44 GLU  HA     99 VAL  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 624,1374, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  44 GLU  HA     99 VAL  QG1      5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2=1380,1381,1382,
 &end
#
#  44 GLU  HA     99 VAL  QG1      5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2=1380,1381,1382,
 &end
#
#  44 GLU  HA     99 VAL  QG1      5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2=1380,1381,1382,
 &end
#
#  44 GLU  HB2    45 HIP  HN       4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 637, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  44 GLU  HB2    45 HIP  HN       4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 637, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  44 GLU  HB2    45 HIP  HN       4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 637, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  44 GLU  HB2    45 HIP  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 637, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  44 GLU  HB3    44 GLU  HG2      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  44 GLU  HB3    45 HIP  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 637, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  44 GLU  HB3    45 HIP  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 637, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  44 GLU  HB3    45 HIP  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 637, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  44 GLU  HB3    96 VAL  QG2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1333,1334,1335,
 &end
#
#  44 GLU  HB3    96 VAL  QG2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1333,1334,1335,
 &end
#
#  44 GLU  HB3    96 VAL  QG2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1333,1334,1335,
 &end
#
#  44 GLU  HG2    44 GLU  HG3      3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 630, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  44 GLU  HG2    45 HIP  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 637, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  44 GLU  HG2    45 HIP  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 637, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  44 GLU  HG2    45 HIP  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 637, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  44 GLU  HG2    98 VAL  HA       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 629,1360, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  44 GLU  HG2    98 VAL  HA       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 629,1360, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  44 GLU  HG2    98 VAL  HA       5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 629,1360, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  44 GLU  HG3    45 HIP  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 637, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  44 GLU  HG3    45 HIP  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 637, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  44 GLU  HG3    45 HIP  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 637, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  44 GLU  HG3    98 VAL  HA       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 630,1360, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  44 GLU  HG3    98 VAL  HA       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 630,1360, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  44 GLU  HG3    98 VAL  HA       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 630,1360, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  44 GLU  HG3    98 VAL  QG2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1368,1369,1370,
 &end
#
#  44 GLU  HG3    98 VAL  QG2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1368,1369,1370,
 &end
#
#  44 GLU  HG3    98 VAL  QG2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1368,1369,1370,
 &end
#
#  45 HIP  HN     45 HIP  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 639, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  45 HIP  HN     45 HIP  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 641, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  45 HIP  HN     45 HIP  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 641, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  45 HIP  HN     45 HIP  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 641, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  45 HIP  HN     45 HIP  HB3      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 642, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  45 HIP  HN     45 HIP  HB3      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 642, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  45 HIP  HN     45 HIP  HB3      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 642, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  45 HIP  HN     45 HIP  HD2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 651, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  45 HIP  HN     45 HIP  HD2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 651, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  45 HIP  HN     45 HIP  HD2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 651, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  45 HIP  HN     45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HN     45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HN     45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HN     46 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 655, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  45 HIP  HN     46 GLY  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 655, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  45 HIP  HN     46 GLY  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 655, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  45 HIP  HN     46 GLY  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 655, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  45 HIP  HN     96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  45 HIP  HN     96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  45 HIP  HN     96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  45 HIP  HN     96 VAL  QG2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1333,1334,1335,
 &end
#
#  45 HIP  HN     96 VAL  QG2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1333,1334,1335,
 &end
#
#  45 HIP  HN     96 VAL  QG2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1333,1334,1335,
 &end
#
#  45 HIP  HN     97 LEU  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1339, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  45 HIP  HN     97 LEU  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1339, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  45 HIP  HN     97 LEU  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1339, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  45 HIP  HN     97 LEU  HA       5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1341, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  45 HIP  HN     97 LEU  HA       5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1341, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  45 HIP  HN     97 LEU  HA       5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1341, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  45 HIP  HN     97 LEU  HB2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1343, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  45 HIP  HN     97 LEU  HB2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1343, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  45 HIP  HN     97 LEU  HB2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1343, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  45 HIP  HN     97 LEU  HB3      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1344, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  45 HIP  HN     97 LEU  HB3      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1344, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  45 HIP  HN     97 LEU  HB3      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1344, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  45 HIP  HN     97 LEU  QD1      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1348,1349,1350,
 &end
#
#  45 HIP  HN     97 LEU  QD1      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1348,1349,1350,
 &end
#
#  45 HIP  HN     97 LEU  QD1      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1348,1349,1350,
 &end
#
#  45 HIP  HN     98 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1358, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HN     98 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1358, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HN     98 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1358, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HN     98 VAL  HA       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1360, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  45 HIP  HN     98 VAL  HA       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1360, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  45 HIP  HN     98 VAL  HA       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1360, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  45 HIP  HN     98 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1364,1365,1366,
 &end
#
#  45 HIP  HN     98 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1364,1365,1366,
 &end
#
#  45 HIP  HN     98 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1364,1365,1366,
 &end
#
#  45 HIP  HN     98 VAL  QG2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1368,1369,1370,
 &end
#
#  45 HIP  HN     98 VAL  QG2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1368,1369,1370,
 &end
#
#  45 HIP  HN     98 VAL  QG2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1368,1369,1370,
 &end
#
#  45 HIP  HN     99 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  45 HIP  HN     99 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  45 HIP  HN     99 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 637,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  45 HIP  HN     99 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1380,1381,1382,
 &end
#
#  45 HIP  HN     99 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1380,1381,1382,
 &end
#
#  45 HIP  HN     99 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1380,1381,1382,
 &end
#
#  45 HIP  HN    127 ILE  QG2      5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HN    127 ILE  QG2      5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HN    127 ILE  QG2      5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HA     45 HIP  HB2      4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 641, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  45 HIP  HA     45 HIP  HB3      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 642, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  45 HIP  HA     45 HIP  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 651, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HA     45 HIP  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 651, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HA     45 HIP  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 651, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HA     45 HIP  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 647, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HA     45 HIP  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 647, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HA     45 HIP  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 647, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HA     46 GLY  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 655, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  45 HIP  HA     46 GLY  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 655, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  45 HIP  HA     46 GLY  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 655, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  45 HIP  HA     46 GLY  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 655, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  45 HIP  HA     97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HA     97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HA     97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HA    127 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HA    127 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HA    127 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HA    131 GLY  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1862, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  45 HIP  HA    131 GLY  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1862, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  45 HIP  HA    131 GLY  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1862, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  45 HIP  HA    131 GLY  HA3      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1865, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  45 HIP  HA    131 GLY  HA3      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1865, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  45 HIP  HA    131 GLY  HA3      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1865, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  45 HIP  HB2    45 HIP  HB3      3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 642, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  45 HIP  HB2    45 HIP  HD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 645, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HB2    45 HIP  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 651, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HB2    45 HIP  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 649, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HB2    46 GLY  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 655, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  45 HIP  HB2    46 GLY  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 655, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  45 HIP  HB2    46 GLY  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 655, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  45 HIP  HB2    46 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 655, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  45 HIP  HB2    97 LEU  HB3      5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 641,1344, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  45 HIP  HB2    97 LEU  HB3      5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 641,1344, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  45 HIP  HB2    97 LEU  HB3      5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 641,1344, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  45 HIP  HB2    97 LEU  QD2      5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2=1352,1353,1354,
 &end
#
#  45 HIP  HB2    97 LEU  QD2      5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2=1352,1353,1354,
 &end
#
#  45 HIP  HB2    97 LEU  QD2      5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2=1352,1353,1354,
 &end
#
#  45 HIP  HB2   127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 641,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HB2   127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 641,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HB2   127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 641,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HB2   127 ILE  QG2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HB2   127 ILE  QG2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HB2   127 ILE  QG2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HB3    45 HIP  HD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 645, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HB3    45 HIP  HD2      5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 651, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  45 HIP  HB3    46 GLY  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 655, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  45 HIP  HB3    46 GLY  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 655, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  45 HIP  HB3    46 GLY  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 655, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  45 HIP  HB3    97 LEU  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 642,1339, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  45 HIP  HB3    97 LEU  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 642,1339, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  45 HIP  HB3    97 LEU  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 642,1339, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  45 HIP  HB3    97 LEU  HB2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 642,1343, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  45 HIP  HB3    97 LEU  HB2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 642,1343, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  45 HIP  HB3    97 LEU  HB2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 642,1343, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  45 HIP  HB3    97 LEU  HB3      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 642,1344, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  45 HIP  HB3    97 LEU  HB3      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 642,1344, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  45 HIP  HB3    97 LEU  HB3      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 642,1344, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  45 HIP  HB3    97 LEU  QD1      5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=1348,1349,1350,
 &end
#
#  45 HIP  HB3    97 LEU  QD1      5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=1348,1349,1350,
 &end
#
#  45 HIP  HB3    97 LEU  QD1      5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=1348,1349,1350,
 &end
#
#  45 HIP  HB3    97 LEU  QD2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1352,1353,1354,
 &end
#
#  45 HIP  HB3    97 LEU  QD2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1352,1353,1354,
 &end
#
#  45 HIP  HB3    97 LEU  QD2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1352,1353,1354,
 &end
#
#  45 HIP  HB3   127 ILE  QG2      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HB3   127 ILE  QG2      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HB3   127 ILE  QG2      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1809,1810,1811,
 &end
#
#  45 HIP  HD1    45 HIP  HE1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 647, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HD2    97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HD2    97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HD2    97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HD2    97 LEU  HB3      5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1344, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  45 HIP  HD2    97 LEU  HB3      5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1344, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  45 HIP  HD2    97 LEU  HB3      5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1344, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  45 HIP  HD2    97 LEU  QD1      5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr2=1348,1349,1350,
 &end
#
#  45 HIP  HD2    97 LEU  QD1      5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr2=1348,1349,1350,
 &end
#
#  45 HIP  HD2    97 LEU  QD1      5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr2=1348,1349,1350,
 &end
#
#  45 HIP  HD2    98 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1360, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HD2    98 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1360, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HD2    98 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1360, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HD2    99 VAL  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1374, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  45 HIP  HD2    99 VAL  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1374, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  45 HIP  HD2    99 VAL  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1374, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  45 HIP  HD2    99 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1376, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HD2    99 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1376, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HD2    99 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1376, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HD2    99 VAL  HB       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1378, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  45 HIP  HD2    99 VAL  HB       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1378, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  45 HIP  HD2    99 VAL  HB       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 651,1378, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  45 HIP  HD2    99 VAL  QG1      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1380,1381,1382,
 &end
#
#  45 HIP  HD2    99 VAL  QG1      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1380,1381,1382,
 &end
#
#  45 HIP  HD2    99 VAL  QG1      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1380,1381,1382,
 &end
#
#  45 HIP  HD2   105 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1460,1461,1462,
 &end
#
#  45 HIP  HD2   105 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1460,1461,1462,
 &end
#
#  45 HIP  HD2   105 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1460,1461,1462,
 &end
#
#  45 HIP  HE1    45 HIP  HD2      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 651, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  45 HIP  HE1   129 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 647,1841, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HE1   129 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 647,1841, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HE1   129 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 647,1841, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  45 HIP  HE1   129 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1845,1846,1847,
 &end
#
#  45 HIP  HE1   129 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1845,1846,1847,
 &end
#
#  45 HIP  HE1   129 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1845,1846,1847,
 &end
#
#  45 HIP  HNE    45 HIP  HD2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 651, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  45 HIP  HNE    45 HIP  HE1      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 647, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  45 HIP  HNE    99 VAL  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 649,1374, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  45 HIP  HNE    99 VAL  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 649,1374, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  45 HIP  HNE    99 VAL  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 649,1374, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  45 HIP  HNE    99 VAL  HB       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 649,1378, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  45 HIP  HNE    99 VAL  HB       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 649,1378, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  45 HIP  HNE    99 VAL  HB       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 649,1378, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  45 HIP  HNE    99 VAL  QG1      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1380,1381,1382,
 &end
#
#  45 HIP  HNE    99 VAL  QG1      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1380,1381,1382,
 &end
#
#  45 HIP  HNE    99 VAL  QG1      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1380,1381,1382,
 &end
#
#  45 HIP  HNE    99 VAL  QG2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1384,1385,1386,
 &end
#
#  45 HIP  HNE    99 VAL  QG2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1384,1385,1386,
 &end
#
#  45 HIP  HNE    99 VAL  QG2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1384,1385,1386,
 &end
#
#  46 GLY  HN     46 GLY  HA2      4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 657, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  46 GLY  HN     46 GLY  HA3      4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 658, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  46 GLY  HN     47 PHE  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 662, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  46 GLY  HN     96 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1327, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN     96 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1327, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN     96 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1327, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN     96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  46 GLY  HN     96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  46 GLY  HN     96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  46 GLY  HN     96 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1333,1334,1335,
 &end
#
#  46 GLY  HN     96 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1333,1334,1335,
 &end
#
#  46 GLY  HN     96 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1333,1334,1335,
 &end
#
#  46 GLY  HN     97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN     97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN     97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN    127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN    127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN    127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN    127 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1809,1810,1811,
 &end
#
#  46 GLY  HN    127 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1809,1810,1811,
 &end
#
#  46 GLY  HN    127 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1809,1810,1811,
 &end
#
#  46 GLY  HN    128 HID  HN       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1822, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  46 GLY  HN    128 HID  HN       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1822, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  46 GLY  HN    128 HID  HN       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1822, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  46 GLY  HN    129 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1841, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN    129 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1841, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN    129 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1841, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN    130 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1855, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN    130 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1855, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN    130 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1855, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HN    131 GLY  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1862, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  46 GLY  HN    131 GLY  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1862, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  46 GLY  HN    131 GLY  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1862, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  46 GLY  HN    131 GLY  HA3      4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1865, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  46 GLY  HN    131 GLY  HA3      4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1865, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  46 GLY  HN    131 GLY  HA3      4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1865, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  46 GLY  HN    132 ASP  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1869, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  46 GLY  HN    132 ASP  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1869, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  46 GLY  HN    132 ASP  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1869, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  46 GLY  HN    132 ASP  HB3      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1874, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  46 GLY  HN    132 ASP  HB3      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1874, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  46 GLY  HN    132 ASP  HB3      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1874, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  46 GLY  HA2    46 GLY  HA3      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 658, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  46 GLY  HA2    47 PHE  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 662, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  46 GLY  HA2    47 PHE  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 662, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  46 GLY  HA2    97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HA2    97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HA2    97 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1339, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HA2   131 GLY  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1862, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  46 GLY  HA2   131 GLY  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1862, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  46 GLY  HA2   131 GLY  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1862, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  46 GLY  HA2   132 ASP  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1869, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  46 GLY  HA2   132 ASP  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1869, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  46 GLY  HA2   132 ASP  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1869, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  46 GLY  HA2   132 ASP  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1871, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  46 GLY  HA2   132 ASP  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1871, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  46 GLY  HA2   132 ASP  HA       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1871, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  46 GLY  HA2   132 ASP  HB2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1873, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  46 GLY  HA2   132 ASP  HB2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1873, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  46 GLY  HA2   132 ASP  HB2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1873, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  46 GLY  HA2   132 ASP  HB3      5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1874, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  46 GLY  HA2   132 ASP  HB3      5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1874, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  46 GLY  HA2   132 ASP  HB3      5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 657,1874, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  46 GLY  HA3    47 PHE  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 662, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  46 GLY  HA3    96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  46 GLY  HA3    96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  46 GLY  HA3    96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  46 GLY  HA3   131 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 658,1862, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HA3   131 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 658,1862, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  46 GLY  HA3   131 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 658,1862, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN     47 PHE  HA       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  47 PHE  HN     47 PHE  HB2      4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 666, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  47 PHE  HN     47 PHE  HB3      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 667, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  47 PHE  HN     47 PHE  QD       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 670, 678,
 &end
#
#  47 PHE  HN     47 PHE  QD       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 670, 678,
 &end
#
#  47 PHE  HN     47 PHE  QD       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 670, 678,
 &end
#
#  47 PHE  HN     48 HIE  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 682, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  47 PHE  HN     48 HIE  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 682, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  47 PHE  HN     48 HIE  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 682, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  47 PHE  HN     48 HIE  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 682, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  47 PHE  HN     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HN     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HN     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HN     95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN     95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN     95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN     96 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1323, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN     96 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1323, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN     96 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1323, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN     96 VAL  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1325, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  47 PHE  HN     96 VAL  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1325, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  47 PHE  HN     96 VAL  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1325, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  47 PHE  HN     96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  47 PHE  HN     96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  47 PHE  HN     96 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1329,1330,1331,
 &end
#
#  47 PHE  HN     96 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1333,1334,1335,
 &end
#
#  47 PHE  HN     96 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1333,1334,1335,
 &end
#
#  47 PHE  HN     96 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1333,1334,1335,
 &end
#
#  47 PHE  HN     97 LEU  HN       5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1339, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  47 PHE  HN     97 LEU  HN       5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1339, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  47 PHE  HN     97 LEU  HN       5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1339, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  47 PHE  HN     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1344, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1344, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1344, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN    127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN    127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN    127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HN    128 HID  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 662,1827, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA     47 PHE  HB2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 666, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  47 PHE  HA     47 PHE  HB3      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 667, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  47 PHE  HA     47 PHE  QD       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 670, 678,
 &end
#
#  47 PHE  HA     47 PHE  QD       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 670, 678,
 &end
#
#  47 PHE  HA     47 PHE  QD       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 670, 678,
 &end
#
#  47 PHE  HA     48 HIE  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 682, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  47 PHE  HA     48 HIE  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 682, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  47 PHE  HA     48 HIE  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 682, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  47 PHE  HA     48 HIE  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 682, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  47 PHE  HA     94 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1295, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA     94 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1295, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA     94 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1295, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HA     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HA     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HA     96 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1325, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA     96 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1325, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA     96 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1325, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA     97 LEU  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1339, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  47 PHE  HA     97 LEU  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1339, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  47 PHE  HA     97 LEU  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1339, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  47 PHE  HA     97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  HA     97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  HA     97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  HA    126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA    126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA    126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA    127 ILE  HA       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1805, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  47 PHE  HA    127 ILE  HA       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1805, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  47 PHE  HA    127 ILE  HA       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1805, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  47 PHE  HA    127 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1813, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA    127 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1813, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA    127 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1813, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA    127 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1814, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA    127 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1814, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA    127 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1814, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HA    127 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1816,1817,1818,
 &end
#
#  47 PHE  HA    127 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1816,1817,1818,
 &end
#
#  47 PHE  HA    127 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1816,1817,1818,
 &end
#
#  47 PHE  HA    127 ILE  QG2      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2=1809,1810,1811,
 &end
#
#  47 PHE  HA    127 ILE  QG2      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2=1809,1810,1811,
 &end
#
#  47 PHE  HA    127 ILE  QG2      5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2=1809,1810,1811,
 &end
#
#  47 PHE  HA    128 HID  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1822, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  47 PHE  HA    128 HID  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1822, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  47 PHE  HA    128 HID  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 664,1822, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  47 PHE  HB2    47 PHE  HB3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 667, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  47 PHE  HB2    48 HIE  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 682, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  47 PHE  HB2    48 HIE  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 682, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  47 PHE  HB2    48 HIE  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 682, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  47 PHE  HB2    48 HIE  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 682, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  47 PHE  HB2    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HB2    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HB2    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HB2    96 VAL  HA       5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1325, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  47 PHE  HB2    96 VAL  HA       5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1325, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  47 PHE  HB2    96 VAL  HA       5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1325, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  47 PHE  HB2    97 LEU  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1339, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  47 PHE  HB2    97 LEU  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1339, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  47 PHE  HB2    97 LEU  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1339, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  47 PHE  HB2    97 LEU  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1341, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  47 PHE  HB2    97 LEU  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1341, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  47 PHE  HB2    97 LEU  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1341, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  47 PHE  HB2    97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HB2    97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HB2    97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HB2    97 LEU  HB3      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1344, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  47 PHE  HB2    97 LEU  HB3      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1344, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  47 PHE  HB2    97 LEU  HB3      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1344, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  47 PHE  HB2    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  HB2    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  HB2    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  HB2   127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HB2   127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HB2   127 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1805, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HB3    48 HIE  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 682, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  47 PHE  HB3    48 HIE  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 682, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  47 PHE  HB3    48 HIE  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 682, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  47 PHE  HB3    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HB3    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HB3    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HB3    97 LEU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 667,1339, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  47 PHE  HB3    97 LEU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 667,1339, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  47 PHE  HB3    97 LEU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 667,1339, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  47 PHE  HB3    97 LEU  HB3      5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 667,1344, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  47 PHE  HB3    97 LEU  HB3      5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 667,1344, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  47 PHE  HB3    97 LEU  HB3      5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 667,1344, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  47 PHE  HB3    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  HB3    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  HB3    97 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  HZ     49 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 709, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HZ     49 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 709, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HZ     49 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 709, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HZ     49 ILE  HG13     5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 710, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  47 PHE  HZ     49 ILE  HG13     5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 710, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  47 PHE  HZ     49 ILE  HG13     5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 710, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  47 PHE  HZ     49 ILE  QD1      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 712, 713, 714,
 &end
#
#  47 PHE  HZ     49 ILE  QD1      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 712, 713, 714,
 &end
#
#  47 PHE  HZ     49 ILE  QD1      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 712, 713, 714,
 &end
#
#  47 PHE  HZ     94 LEU  HB3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 674,1295, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  47 PHE  HZ     94 LEU  HB3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 674,1295, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  47 PHE  HZ     94 LEU  HB3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 674,1295, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  47 PHE  HZ     94 LEU  QD1      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2=1299,1300,1301,
 &end
#
#  47 PHE  HZ     94 LEU  QD1      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2=1299,1300,1301,
 &end
#
#  47 PHE  HZ     94 LEU  QD1      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2=1299,1300,1301,
 &end
#
#  47 PHE  HZ     94 LEU  QD2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HZ     94 LEU  QD2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HZ     94 LEU  QD2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  HZ    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 674,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HZ    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 674,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HZ    111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 674,1539, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  47 PHE  HZ    111 ALA  QB       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1543,1544,1545,
 &end
#
#  47 PHE  HZ    111 ALA  QB       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1543,1544,1545,
 &end
#
#  47 PHE  HZ    111 ALA  QB       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1543,1544,1545,
 &end
#
#  47 PHE  HZ    125 LEU  QD2      5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=1780,1781,1782,
 &end
#
#  47 PHE  HZ    125 LEU  QD2      5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=1780,1781,1782,
 &end
#
#  47 PHE  HZ    125 LEU  QD2      5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=1780,1781,1782,
 &end
#
#  47 PHE  QD     47 PHE  HB2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     47 PHE  HB3      4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     47 PHE  QE       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 670, 678,
 igr2= 672, 676,
 &end
#
#  47 PHE  QD     48 HIE  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     48 HIE  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     48 HIE  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     49 ILE  HG13     5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     49 ILE  HG13     5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     49 ILE  HG13     5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     94 LEU  HB2      5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     94 LEU  HB2      5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     94 LEU  HB2      5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     94 LEU  HB3      5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     94 LEU  HB3      5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     94 LEU  HB3      5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     94 LEU  QD2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 670, 678,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  QD     94 LEU  QD2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 670, 678,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  QD     94 LEU  QD2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 670, 678,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  QD     95 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     95 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     95 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HG       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1346, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HG       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1346, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  HG       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1346, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD     97 LEU  QD1      5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 670, 678,
 igr2=1348,1349,1350,
 &end
#
#  47 PHE  QD     97 LEU  QD1      5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 670, 678,
 igr2=1348,1349,1350,
 &end
#
#  47 PHE  QD     97 LEU  QD1      5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 670, 678,
 igr2=1348,1349,1350,
 &end
#
#  47 PHE  QD     97 LEU  QD2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 670, 678,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  QD     97 LEU  QD2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 670, 678,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  QD     97 LEU  QD2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 670, 678,
 igr2=1352,1353,1354,
 &end
#
#  47 PHE  QD    109 VAL  QG2      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 670, 678,
 igr2=1519,1520,1521,
 &end
#
#  47 PHE  QD    109 VAL  QG2      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 670, 678,
 igr2=1519,1520,1521,
 &end
#
#  47 PHE  QD    109 VAL  QG2      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 670, 678,
 igr2=1519,1520,1521,
 &end
#
#  47 PHE  QD    125 LEU  QD2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 670, 678,
 igr2=1780,1781,1782,
 &end
#
#  47 PHE  QD    125 LEU  QD2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 670, 678,
 igr2=1780,1781,1782,
 &end
#
#  47 PHE  QD    125 LEU  QD2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 670, 678,
 igr2=1780,1781,1782,
 &end
#
#  47 PHE  QD    126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    127 ILE  HA       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1805, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    127 ILE  HA       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1805, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    127 ILE  HA       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1805, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    127 ILE  HG12     5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    127 ILE  HG12     5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    127 ILE  HG12     5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    127 ILE  HG13     5.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1814, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    127 ILE  HG13     5.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1814, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    127 ILE  HG13     5.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1814, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    127 ILE  QD1      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 670, 678,
 igr2=1816,1817,1818,
 &end
#
#  47 PHE  QD    127 ILE  QD1      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 670, 678,
 igr2=1816,1817,1818,
 &end
#
#  47 PHE  QD    127 ILE  QD1      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 670, 678,
 igr2=1816,1817,1818,
 &end
#
#  47 PHE  QD    127 ILE  QG2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1= 670, 678,
 igr2=1809,1810,1811,
 &end
#
#  47 PHE  QD    127 ILE  QG2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1= 670, 678,
 igr2=1809,1810,1811,
 &end
#
#  47 PHE  QD    127 ILE  QG2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1= 670, 678,
 igr2=1809,1810,1811,
 &end
#
#  47 PHE  QD    128 HID  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    128 HID  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 678,
 &end
#
#  47 PHE  QD    128 HID  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 678,
 &end
#
#  47 PHE  QE     47 PHE  HZ       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE     48 HIE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE     48 HIE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE     48 HIE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE     49 ILE  HG12     5.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE     49 ILE  HG12     5.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE     49 ILE  HG12     5.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE     49 ILE  HG13     4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE     49 ILE  HG13     4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE     49 ILE  HG13     4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE     49 ILE  QD1      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 672, 676,
 igr2= 712, 713, 714,
 &end
#
#  47 PHE  QE     49 ILE  QD1      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 672, 676,
 igr2= 712, 713, 714,
 &end
#
#  47 PHE  QE     49 ILE  QD1      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 672, 676,
 igr2= 712, 713, 714,
 &end
#
#  47 PHE  QE     94 LEU  QD1      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 672, 676,
 igr2=1299,1300,1301,
 &end
#
#  47 PHE  QE     94 LEU  QD1      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 672, 676,
 igr2=1299,1300,1301,
 &end
#
#  47 PHE  QE     94 LEU  QD1      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 672, 676,
 igr2=1299,1300,1301,
 &end
#
#  47 PHE  QE     94 LEU  QD2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 672, 676,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  QE     94 LEU  QD2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 672, 676,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  QE     94 LEU  QD2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 672, 676,
 igr2=1303,1304,1305,
 &end
#
#  47 PHE  QE    109 VAL  QG2      5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 672, 676,
 igr2=1519,1520,1521,
 &end
#
#  47 PHE  QE    109 VAL  QG2      5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 672, 676,
 igr2=1519,1520,1521,
 &end
#
#  47 PHE  QE    109 VAL  QG2      5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 672, 676,
 igr2=1519,1520,1521,
 &end
#
#  47 PHE  QE    110 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    110 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    110 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    110 THR  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    110 THR  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    110 THR  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    111 ALA  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    111 ALA  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    111 ALA  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    111 ALA  QB       4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 672, 676,
 igr2=1543,1544,1545,
 &end
#
#  47 PHE  QE    111 ALA  QB       4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 672, 676,
 igr2=1543,1544,1545,
 &end
#
#  47 PHE  QE    111 ALA  QB       4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 672, 676,
 igr2=1543,1544,1545,
 &end
#
#  47 PHE  QE    125 LEU  HA       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    125 LEU  HA       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    125 LEU  HA       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    125 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    125 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    125 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 672, 676,
 &end
#
#  47 PHE  QE    125 LEU  QD1      4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 672, 676,
 igr2=1776,1777,1778,
 &end
#
#  47 PHE  QE    125 LEU  QD1      4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 672, 676,
 igr2=1776,1777,1778,
 &end
#
#  47 PHE  QE    125 LEU  QD1      4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 672, 676,
 igr2=1776,1777,1778,
 &end
#
#  47 PHE  QE    125 LEU  QD2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 672, 676,
 igr2=1780,1781,1782,
 &end
#
#  47 PHE  QE    125 LEU  QD2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 672, 676,
 igr2=1780,1781,1782,
 &end
#
#  47 PHE  QE    125 LEU  QD2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 672, 676,
 igr2=1780,1781,1782,
 &end
#
#  48 HIE  HN     48 HIE  HA       4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 684, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  48 HIE  HN     49 ILE  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 699, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  48 HIE  HN     49 ILE  HN       5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 699, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  48 HIE  HN     49 ILE  HN       5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 699, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  48 HIE  HN     49 ILE  HN       5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 699, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  48 HIE  HN     50 HID  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 731, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  48 HIE  HN     94 LEU  QD2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2=1303,1304,1305,
 &end
#
#  48 HIE  HN     94 LEU  QD2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2=1303,1304,1305,
 &end
#
#  48 HIE  HN     94 LEU  QD2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2=1303,1304,1305,
 &end
#
#  48 HIE  HN    125 LEU  QD2      5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr2=1780,1781,1782,
 &end
#
#  48 HIE  HN    125 LEU  QD2      5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr2=1780,1781,1782,
 &end
#
#  48 HIE  HN    125 LEU  QD2      5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr2=1780,1781,1782,
 &end
#
#  48 HIE  HN    126 MET  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1786, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  48 HIE  HN    126 MET  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1786, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  48 HIE  HN    126 MET  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1786, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  48 HIE  HN    126 MET  HB3      5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1791, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  48 HIE  HN    126 MET  HB3      5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1791, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  48 HIE  HN    126 MET  HB3      5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1791, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  48 HIE  HN    127 ILE  HA       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1805, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  48 HIE  HN    127 ILE  HA       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1805, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  48 HIE  HN    127 ILE  HA       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1805, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  48 HIE  HN    128 HID  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1822, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  48 HIE  HN    128 HID  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1822, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  48 HIE  HN    128 HID  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1822, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  48 HIE  HN    128 HID  HB3      5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 682,1827, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  48 HIE  HA     49 ILE  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 699, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  48 HIE  HA     49 ILE  HN       3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 699, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  48 HIE  HA     49 ILE  HA       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 701, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  48 HIE  HA     49 ILE  HA       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 701, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  48 HIE  HA     49 ILE  HA       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 701, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  48 HIE  HA     49 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 703, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  48 HIE  HA     49 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 703, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  48 HIE  HA     49 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 703, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  48 HIE  HA     94 LEU  HN       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 684,1290, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  48 HIE  HA     94 LEU  HN       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 684,1290, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  48 HIE  HA     94 LEU  HN       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 684,1290, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  48 HIE  HA     94 LEU  HG       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 684,1297, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  48 HIE  HA     94 LEU  HG       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 684,1297, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  48 HIE  HA     94 LEU  HG       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 684,1297, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  48 HIE  HA     94 LEU  QD1      5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2=1299,1300,1301,
 &end
#
#  48 HIE  HA     94 LEU  QD1      5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2=1299,1300,1301,
 &end
#
#  48 HIE  HA     94 LEU  QD1      5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2=1299,1300,1301,
 &end
#
#  48 HIE  HA     94 LEU  QD2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1303,1304,1305,
 &end
#
#  48 HIE  HA     94 LEU  QD2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1303,1304,1305,
 &end
#
#  48 HIE  HA     94 LEU  QD2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1303,1304,1305,
 &end
#
#  48 HIE  HB2    93 ASM  HA       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 686,1280, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  48 HIE  HB2    93 ASM  HA       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 686,1280, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  48 HIE  HB2    93 ASM  HA       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 686,1280, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  48 HIE  HB3    49 ILE  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 699, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  48 HIE  HB3    49 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 703, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  48 HIE  HB3    50 HID  HD2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 731, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  48 HIE  HB3    50 HID  HD2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 731, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  48 HIE  HB3    50 HID  HD2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 731, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  48 HIE  HD2    82 HIF  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 695,1147, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  48 HIE  HD2    82 HIF  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 695,1147, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  48 HIE  HD2    82 HIF  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 695,1147, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  48 HIE  HNE    82 HIF  HE       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 693,1145, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  48 HIE  HNE    82 HIF  HE       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 693,1145, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  48 HIE  HNE    82 HIF  HE       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 693,1145, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  48 HIE  HNE    82 HIF  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 693,1147, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  48 HIE  HNE    82 HIF  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 693,1147, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  48 HIE  HNE    82 HIF  HNE      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 693,1147, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HN     49 ILE  HB       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  49 ILE  HN     49 ILE  HB       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  49 ILE  HN     49 ILE  HB       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  49 ILE  HN     49 ILE  HG12     5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 709, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  49 ILE  HN     49 ILE  HG12     5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 709, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  49 ILE  HN     49 ILE  HG12     5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 709, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  49 ILE  HN     49 ILE  HG13     5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 710, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  49 ILE  HN     49 ILE  HG13     5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 710, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  49 ILE  HN     49 ILE  HG13     5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 710, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  49 ILE  HN     49 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 712, 713, 714,
 &end
#
#  49 ILE  HN     49 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 712, 713, 714,
 &end
#
#  49 ILE  HN     49 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 712, 713, 714,
 &end
#
#  49 ILE  HN     49 ILE  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 705, 706, 707,
 &end
#
#  49 ILE  HN     49 ILE  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 705, 706, 707,
 &end
#
#  49 ILE  HN     49 ILE  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 705, 706, 707,
 &end
#
#  49 ILE  HN     50 HID  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 718, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  49 ILE  HN     50 HID  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 718, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  49 ILE  HN     50 HID  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 718, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  49 ILE  HN     92 GLY  HN       6.00  (##)
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1271, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  49 ILE  HN     92 GLY  HA2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1273, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  49 ILE  HN     92 GLY  HA2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1273, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  49 ILE  HN     92 GLY  HA2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1273, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  49 ILE  HN     92 GLY  HA3      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1274, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  49 ILE  HN     92 GLY  HA3      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1274, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  49 ILE  HN     92 GLY  HA3      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1274, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  49 ILE  HN     94 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1290, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HN     94 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1290, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HN     94 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1290, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HN     94 LEU  HG       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1297, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  49 ILE  HN     94 LEU  HG       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1297, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  49 ILE  HN     94 LEU  HG       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 699,1297, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  49 ILE  HN     94 LEU  QD1      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1299,1300,1301,
 &end
#
#  49 ILE  HN     94 LEU  QD1      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1299,1300,1301,
 &end
#
#  49 ILE  HN     94 LEU  QD1      5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1299,1300,1301,
 &end
#
#  49 ILE  HN     94 LEU  QD2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HN     94 LEU  QD2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HN     94 LEU  QD2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HN    125 LEU  QD2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  HN    125 LEU  QD2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  HN    125 LEU  QD2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  HA     49 ILE  HB       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 703, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  49 ILE  HA     49 ILE  HG12     5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 709, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  49 ILE  HA     49 ILE  HG13     5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 710, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  49 ILE  HA     49 ILE  QG2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 705, 706, 707,
 &end
#
#  49 ILE  HA     49 ILE  QG2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 705, 706, 707,
 &end
#
#  49 ILE  HA     49 ILE  QG2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 705, 706, 707,
 &end
#
#  49 ILE  HA     50 HID  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 718, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  49 ILE  HA     50 HID  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 718, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  49 ILE  HA     50 HID  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 718, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  49 ILE  HA     74 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 701,1022, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HA     74 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 701,1022, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HA     74 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 701,1022, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HA     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HA     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HA     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HA    124 ALA  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 701,1757, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  49 ILE  HA    124 ALA  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 701,1757, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  49 ILE  HA    124 ALA  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 701,1757, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  49 ILE  HA    125 LEU  QD2      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  HA    125 LEU  QD2      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  HA    125 LEU  QD2      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  HA    126 MET  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 701,1786, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  49 ILE  HA    126 MET  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 701,1786, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  49 ILE  HA    126 MET  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 701,1786, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  49 ILE  HA    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
#  49 ILE  HA    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
#  49 ILE  HA    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
#  49 ILE  HB     49 ILE  QG2      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 705, 706, 707,
 &end
#
#  49 ILE  HB     50 HID  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 718, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  49 ILE  HB     50 HID  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 718, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  49 ILE  HB     50 HID  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 718, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  49 ILE  HB     74 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1022, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HB     74 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1022, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HB     74 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1022, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HB     92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HB     92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HB     92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HB     92 GLY  HA2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1273, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  49 ILE  HB     92 GLY  HA2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1273, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  49 ILE  HB     92 GLY  HA2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1273, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  49 ILE  HB     92 GLY  HA3      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1274, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  49 ILE  HB     92 GLY  HA3      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1274, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  49 ILE  HB     92 GLY  HA3      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 703,1274, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  49 ILE  HB     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HB     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HB     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HG12   50 HID  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 718, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  49 ILE  HG12   50 HID  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 718, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  49 ILE  HG12   50 HID  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 718, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  49 ILE  HG12   94 LEU  QD2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HG12   94 LEU  QD2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HG12   94 LEU  QD2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HG13   49 ILE  HG12     4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 709, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  49 ILE  HG13   92 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 710,1273, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HG13   92 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 710,1273, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HG13   92 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 710,1273, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  49 ILE  HG13   94 LEU  QD2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HG13   94 LEU  QD2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HG13   94 LEU  QD2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  HG13  125 LEU  QD2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  HG13  125 LEU  QD2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  HG13  125 LEU  QD2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  QD1    49 ILE  HG12     4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1    50 HID  HN       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1    50 HID  HN       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1    50 HID  HN       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1    92 GLY  HA2      5.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1    92 GLY  HA2      5.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1    92 GLY  HA2      5.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1    94 LEU  QD1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 712, 713, 714,
 igr2=1299,1300,1301,
 &end
#
#  49 ILE  QD1    94 LEU  QD1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 712, 713, 714,
 igr2=1299,1300,1301,
 &end
#
#  49 ILE  QD1    94 LEU  QD1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 712, 713, 714,
 igr2=1299,1300,1301,
 &end
#
#  49 ILE  QD1    94 LEU  QD2      4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 712, 713, 714,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  QD1    94 LEU  QD2      4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 712, 713, 714,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  QD1    94 LEU  QD2      4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 712, 713, 714,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  QD1   114 LEU  QD2      3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 712, 713, 714,
 igr2=1600,1601,1602,
 &end
#
#  49 ILE  QD1   114 LEU  QD2      3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 712, 713, 714,
 igr2=1600,1601,1602,
 &end
#
#  49 ILE  QD1   114 LEU  QD2      3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 712, 713, 714,
 igr2=1600,1601,1602,
 &end
#
#  49 ILE  QD1   120 VAL  HB       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1   120 VAL  HB       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1   120 VAL  HB       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1   120 VAL  QG1      3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 712, 713, 714,
 igr2=1691,1692,1693,
 &end
#
#  49 ILE  QD1   120 VAL  QG1      3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 712, 713, 714,
 igr2=1691,1692,1693,
 &end
#
#  49 ILE  QD1   120 VAL  QG1      3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 712, 713, 714,
 igr2=1691,1692,1693,
 &end
#
#  49 ILE  QD1   123 LYS  HB2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1739, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1   123 LYS  HB2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1739, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1   123 LYS  HB2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1739, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 712, 713, 714,
 &end
#
#  49 ILE  QD1   125 LEU  QD2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 712, 713, 714,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  QD1   125 LEU  QD2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 712, 713, 714,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  QD1   125 LEU  QD2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 712, 713, 714,
 igr2=1780,1781,1782,
 &end
#
#  49 ILE  QG2    49 ILE  QD1      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 705, 706, 707,
 igr2= 712, 713, 714,
 &end
#
#  49 ILE  QG2    49 ILE  QD1      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 705, 706, 707,
 igr2= 712, 713, 714,
 &end
#
#  49 ILE  QG2    49 ILE  QD1      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 705, 706, 707,
 igr2= 712, 713, 714,
 &end
#
#  49 ILE  QG2    50 HID  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    50 HID  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    50 HID  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    51 ALA  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    51 ALA  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    51 ALA  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    74 LEU  HB3      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    74 LEU  HB3      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    74 LEU  HB3      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    74 LEU  QD1      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 705, 706, 707,
 igr2=1026,1027,1028,
 &end
#
#  49 ILE  QG2    74 LEU  QD1      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 705, 706, 707,
 igr2=1026,1027,1028,
 &end
#
#  49 ILE  QG2    74 LEU  QD1      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 705, 706, 707,
 igr2=1026,1027,1028,
 &end
#
#  49 ILE  QG2    74 LEU  QD2      3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 705, 706, 707,
 igr2=1030,1031,1032,
 &end
#
#  49 ILE  QG2    74 LEU  QD2      3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 705, 706, 707,
 igr2=1030,1031,1032,
 &end
#
#  49 ILE  QG2    74 LEU  QD2      3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 705, 706, 707,
 igr2=1030,1031,1032,
 &end
#
#  49 ILE  QG2    92 GLY  HA2      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    92 GLY  HA2      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    92 GLY  HA2      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    92 GLY  HA3      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    92 GLY  HA3      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    92 GLY  HA3      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 705, 706, 707,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  QG2    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 705, 706, 707,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  QG2    94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 705, 706, 707,
 igr2=1303,1304,1305,
 &end
#
#  49 ILE  QG2   120 VAL  HB       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   120 VAL  HB       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   120 VAL  HB       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   123 LYS  HB2      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1739, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   123 LYS  HB2      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1739, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   123 LYS  HB2      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1739, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   124 ALA  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   124 ALA  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   124 ALA  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   125 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   125 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   125 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 705, 706, 707,
 &end
#
#  49 ILE  QG2   153 ILE  QD1      3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 705, 706, 707,
 igr2=2164,2165,2166,
 &end
#
#  49 ILE  QG2   153 ILE  QD1      3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 705, 706, 707,
 igr2=2164,2165,2166,
 &end
#
#  49 ILE  QG2   153 ILE  QD1      3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 705, 706, 707,
 igr2=2164,2165,2166,
 &end
#
#  50 HID  HN     51 ALA  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 735, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  50 HID  HN     51 ALA  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 735, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  50 HID  HN     51 ALA  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 735, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  50 HID  HN     73 HIC  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN     73 HIC  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN     73 HIC  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN     74 LEU  HB3      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1022, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  50 HID  HN     74 LEU  HB3      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1022, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  50 HID  HN     74 LEU  HB3      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1022, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  50 HID  HN    123 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1737, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN    123 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1737, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN    123 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1737, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN    123 LYS  HB2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1739, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  50 HID  HN    123 LYS  HB2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1739, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  50 HID  HN    123 LYS  HB2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1739, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  50 HID  HN    123 LYS  HB3      5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1740, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  50 HID  HN    123 LYS  HB3      5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1740, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  50 HID  HN    123 LYS  HB3      5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1740, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  50 HID  HN    123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN    123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN    123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN    123 LYS  QD       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=1745,1746,
 &end
#
#  50 HID  HN    123 LYS  QD       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=1745,1746,
 &end
#
#  50 HID  HN    123 LYS  QD       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=1745,1746,
 &end
#
#  50 HID  HN    124 ALA  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1757, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  50 HID  HN    124 ALA  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1757, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  50 HID  HN    124 ALA  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1757, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  50 HID  HN    124 ALA  QB       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1761,1762,1763,
 &end
#
#  50 HID  HN    124 ALA  QB       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1761,1762,1763,
 &end
#
#  50 HID  HN    124 ALA  QB       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1761,1762,1763,
 &end
#
#  50 HID  HN    125 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1767, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN    125 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1767, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN    125 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1767, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HN    125 LEU  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1769, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  50 HID  HN    125 LEU  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1769, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  50 HID  HN    125 LEU  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1769, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  50 HID  HN    125 LEU  QD2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=1780,1781,1782,
 &end
#
#  50 HID  HN    125 LEU  QD2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=1780,1781,1782,
 &end
#
#  50 HID  HN    125 LEU  QD2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=1780,1781,1782,
 &end
#
#  50 HID  HN    126 MET  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1786, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  50 HID  HN    126 MET  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1786, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  50 HID  HN    126 MET  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 718,1786, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  50 HID  HN    126 MET  QE       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2=1797,1798,1799,
 &end
#
#  50 HID  HN    126 MET  QE       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2=1797,1798,1799,
 &end
#
#  50 HID  HN    126 MET  QE       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2=1797,1798,1799,
 &end
#
#  50 HID  HA     51 ALA  HN       3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 735, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  50 HID  HA     51 ALA  HN       3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 735, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  50 HID  HA     51 ALA  HN       3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 735, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  50 HID  HA     51 ALA  HA       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 737, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  50 HID  HA     51 ALA  HA       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 737, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  50 HID  HA     51 ALA  HA       5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 737, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  50 HID  HA     51 ALA  QB       5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 739, 740, 741,
 &end
#
#  50 HID  HA     51 ALA  QB       5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 739, 740, 741,
 &end
#
#  50 HID  HA     51 ALA  QB       5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 739, 740, 741,
 &end
#
#  50 HID  HA     52 ASN  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 745, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  50 HID  HA     52 ASN  HN       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 745, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  50 HID  HA     73 HIC  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 720,1005, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HA     73 HIC  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 720,1005, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HA     73 HIC  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 720,1005, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HA     74 LEU  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 720,1017, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  50 HID  HA     74 LEU  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 720,1017, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  50 HID  HA     74 LEU  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 720,1017, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  50 HID  HA     74 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 720,1022, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  50 HID  HE1    73 HIC  HD2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 728,1013, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  50 HID  HE1    73 HIC  HD2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 728,1013, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  50 HID  HE1    73 HIC  HD2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 728,1013, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  51 ALA  HN     51 ALA  HA       3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 737, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  51 ALA  HN     51 ALA  QB       3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 739, 740, 741,
 &end
#
#  51 ALA  HN     51 ALA  QB       3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 739, 740, 741,
 &end
#
#  51 ALA  HN     51 ALA  QB       3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 739, 740, 741,
 &end
#
#  51 ALA  HN     52 ASN  HN       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 745, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  51 ALA  HN     52 ASN  HN       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 745, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  51 ALA  HN     52 ASN  HN       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 745, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  51 ALA  HN     52 ASN  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 745, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  51 ALA  HN     52 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 747, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     52 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 747, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     52 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 747, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     52 ASN  HD21     6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 754, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  51 ALA  HN     52 ASN  HD21     6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 754, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  51 ALA  HN     52 ASN  HD21     6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 754, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  51 ALA  HN     70 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 978, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     70 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 978, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     70 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 978, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     70 ALA  QB       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 980, 981, 982,
 &end
#
#  51 ALA  HN     70 ALA  QB       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 980, 981, 982,
 &end
#
#  51 ALA  HN     70 ALA  QB       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 980, 981, 982,
 &end
#
#  51 ALA  HN     71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     72 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 ALA  HN     72 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 ALA  HN     72 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 ALA  HN     74 LEU  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1017, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  51 ALA  HN     74 LEU  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1017, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  51 ALA  HN     74 LEU  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1017, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  51 ALA  HN     74 LEU  HA       5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1019, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  51 ALA  HN     74 LEU  HA       5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1019, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  51 ALA  HN     74 LEU  HA       5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1019, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  51 ALA  HN     74 LEU  QD2      5.70
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1030,1031,1032,
 &end
#
#  51 ALA  HN     74 LEU  QD2      5.70
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1030,1031,1032,
 &end
#
#  51 ALA  HN     74 LEU  QD2      5.70
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1030,1031,1032,
 &end
#
#  51 ALA  HN     75 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1036, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     75 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1036, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN     75 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1036, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HN    124 ALA  HN       5.70
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1757, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  51 ALA  HN    124 ALA  HN       5.70
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1757, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  51 ALA  HN    124 ALA  HN       5.70
 &rst
  ixpk= 0, nxpk= 0, iat= 735,1757, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  51 ALA  HN    124 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1761,1762,1763,
 &end
#
#  51 ALA  HN    124 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1761,1762,1763,
 &end
#
#  51 ALA  HN    124 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1761,1762,1763,
 &end
#
#  51 ALA  HA     52 ASN  HN       3.50  (#)
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 745, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  51 ALA  HA     52 ASN  HN       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 745, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  51 ALA  HA     52 ASN  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 747, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  51 ALA  HA     52 ASN  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 747, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  51 ALA  HA     52 ASN  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 747, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  51 ALA  HA     74 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1026,1027,1028,
 &end
#
#  51 ALA  HA     74 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1026,1027,1028,
 &end
#
#  51 ALA  HA     74 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1026,1027,1028,
 &end
#
#  51 ALA  HA     74 LEU  QD2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1030,1031,1032,
 &end
#
#  51 ALA  HA     74 LEU  QD2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1030,1031,1032,
 &end
#
#  51 ALA  HA     74 LEU  QD2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1030,1031,1032,
 &end
#
#  51 ALA  HA    123 LYS  HB3      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1740, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  51 ALA  HA    123 LYS  HB3      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1740, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  51 ALA  HA    123 LYS  HB3      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1740, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  51 ALA  HA    123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HA    123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HA    123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HA    123 LYS  HE3      5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1749, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  51 ALA  HA    123 LYS  HE3      5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1749, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  51 ALA  HA    123 LYS  HE3      5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1749, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  51 ALA  HA    124 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1757, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HA    124 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1757, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  HA    124 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 737,1757, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  51 ALA  QB     52 ASN  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     51 ALA  HA       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     52 ASN  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     52 ASN  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     52 ASN  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     52 ASN  HD21     5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     52 ASN  HD21     5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     52 ASN  HD21     5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     52 ASN  HD22     5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     52 ASN  HD22     5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     52 ASN  HD22     5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     71 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     71 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     71 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     71 GLY  HA3      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     71 GLY  HA3      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     71 GLY  HA3      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     72 GLY  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     72 GLY  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     72 GLY  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     74 LEU  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     74 LEU  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     74 LEU  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     74 LEU  HA       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     74 LEU  HA       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB     74 LEU  HA       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB    124 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB    124 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 739, 740, 741,
 &end
#
#  51 ALA  QB    124 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 739, 740, 741,
 &end
#
#  52 ASN  HN     52 ASN  HA       3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 747, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  52 ASN  HN     52 ASN  HB2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 749, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  52 ASN  HN     52 ASN  HB2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 749, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  52 ASN  HN     52 ASN  HB2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 749, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  52 ASN  HN     52 ASN  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 750, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  52 ASN  HN     52 ASN  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 750, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  52 ASN  HN     52 ASN  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 750, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  52 ASN  HN     52 ASN  HD21     5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 754, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  52 ASN  HN     52 ASN  HD21     5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 754, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  52 ASN  HN     52 ASN  HD21     5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 754, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  52 ASN  HN     52 ASN  HD22     4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 755, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  52 ASN  HN     52 ASN  HD22     4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 755, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  52 ASN  HN     52 ASN  HD22     4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 755, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  52 ASN  HN     53 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 759, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  52 ASN  HN     70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HN     70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HN     70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HN     70 ALA  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 978, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  52 ASN  HN     70 ALA  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 978, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  52 ASN  HN     70 ALA  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 978, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  52 ASN  HN     70 ALA  QB       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 980, 981, 982,
 &end
#
#  52 ASN  HN     70 ALA  QB       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 980, 981, 982,
 &end
#
#  52 ASN  HN     70 ALA  QB       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 980, 981, 982,
 &end
#
#  52 ASN  HN     71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HN     71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HN     71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HN     71 GLY  HA2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 988, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  52 ASN  HN     71 GLY  HA2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 988, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  52 ASN  HN     71 GLY  HA2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 988, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  52 ASN  HN     71 GLY  HA3      5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 989, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  52 ASN  HN     71 GLY  HA3      5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 989, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  52 ASN  HN     71 GLY  HA3      5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 989, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  52 ASN  HN     72 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 993, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HN     72 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 993, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HN     72 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 993, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HN     74 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1026,1027,1028,
 &end
#
#  52 ASN  HN     74 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1026,1027,1028,
 &end
#
#  52 ASN  HN     74 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1026,1027,1028,
 &end
#
#  52 ASN  HN    124 ALA  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 745,1757, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  52 ASN  HN    124 ALA  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 745,1757, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  52 ASN  HN    124 ALA  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 745,1757, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  52 ASN  HN    124 ALA  QB       5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2=1761,1762,1763,
 &end
#
#  52 ASN  HN    124 ALA  QB       5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2=1761,1762,1763,
 &end
#
#  52 ASN  HN    124 ALA  QB       5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2=1761,1762,1763,
 &end
#
#  52 ASN  HA     52 ASN  HB2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  52 ASN  HA     52 ASN  HB3      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 750, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  52 ASN  HA     52 ASN  HD22     5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 755, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  52 ASN  HA     52 ASN  HD22     5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 755, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  52 ASN  HA     52 ASN  HD22     5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 755, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  52 ASN  HA     53 GLY  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 759, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  52 ASN  HA     53 GLY  HN       3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 759, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  52 ASN  HA     53 GLY  HN       3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 759, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  52 ASN  HA     53 GLY  HN       3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 759, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  52 ASN  HA     53 GLY  HA3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 762, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  52 ASN  HA     53 GLY  HA3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 762, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  52 ASN  HA     53 GLY  HA3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 762, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  52 ASN  HA     54 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 766, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HA     54 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 766, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HA     54 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 766, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HA     70 ALA  HA       5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 978, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  52 ASN  HA     70 ALA  HA       5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 978, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  52 ASN  HA     70 ALA  HA       5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 978, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  52 ASN  HA     70 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 980, 981, 982,
 &end
#
#  52 ASN  HA     70 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 980, 981, 982,
 &end
#
#  52 ASN  HA     70 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 980, 981, 982,
 &end
#
#  52 ASN  HA    123 LYS  HA       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 747,1737, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  52 ASN  HA    123 LYS  HA       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 747,1737, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  52 ASN  HA    123 LYS  HA       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 747,1737, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  52 ASN  HA    124 ALA  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 747,1757, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  52 ASN  HA    124 ALA  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 747,1757, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  52 ASN  HA    124 ALA  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 747,1757, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  52 ASN  HB2    52 ASN  HD21     4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 754, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  52 ASN  HB2    52 ASN  HD22     4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 755, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  52 ASN  HB2    52 ASN  HD22     4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 755, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  52 ASN  HB2    52 ASN  HD22     4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 755, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  52 ASN  HB2    53 GLY  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 759, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  52 ASN  HB2    53 GLY  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 759, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  52 ASN  HB2    53 GLY  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 759, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  52 ASN  HB2    53 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 759, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  52 ASN  HB2    54 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 766, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HB2    54 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 766, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HB2    54 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 766, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HB2    71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HB2    71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HB2    71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HB3    52 ASN  HD21     4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 754, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  52 ASN  HB3    52 ASN  HD22     4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 755, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  52 ASN  HB3    53 GLY  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 759, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  52 ASN  HB3    53 GLY  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 759, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  52 ASN  HB3    53 GLY  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 759, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  52 ASN  HB3    54 SER  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 766, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  52 ASN  HB3    54 SER  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 766, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  52 ASN  HB3    54 SER  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 766, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  52 ASN  HB3    70 ALA  HN       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 976, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  52 ASN  HB3    70 ALA  HN       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 976, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  52 ASN  HB3    70 ALA  HN       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 976, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  52 ASN  HB3    70 ALA  HA       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 978, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  52 ASN  HB3    70 ALA  HA       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 978, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  52 ASN  HB3    70 ALA  HA       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 978, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  52 ASN  HB3    70 ALA  QB       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2= 980, 981, 982,
 &end
#
#  52 ASN  HB3    70 ALA  QB       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2= 980, 981, 982,
 &end
#
#  52 ASN  HB3    70 ALA  QB       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2= 980, 981, 982,
 &end
#
#  52 ASN  HB3    71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HB3    71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HB3    71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HD21   52 ASN  HD22     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 755, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  52 ASN  HD21   70 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 978, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HD21   70 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 978, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HD21   70 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 978, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HD21   71 GLY  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 986, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  52 ASN  HD21   71 GLY  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 986, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  52 ASN  HD21   71 GLY  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 986, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  52 ASN  HD21   71 GLY  HA2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 988, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  52 ASN  HD21   71 GLY  HA2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 988, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  52 ASN  HD21   71 GLY  HA2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 988, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  52 ASN  HD21   71 GLY  HA3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 989, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  52 ASN  HD21   71 GLY  HA3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 989, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  52 ASN  HD21   71 GLY  HA3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 989, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  52 ASN  HD21   72 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 993, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HD21   72 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 993, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HD21   72 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 993, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HD22   70 ALA  HA       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 978, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  52 ASN  HD22   70 ALA  HA       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 978, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  52 ASN  HD22   70 ALA  HA       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 978, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  52 ASN  HD22   71 GLY  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 986, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  52 ASN  HD22   71 GLY  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 986, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  52 ASN  HD22   71 GLY  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 986, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  52 ASN  HD22   71 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 989, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HD22   71 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 989, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HD22   71 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 989, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ASN  HD22   72 GLY  HN       5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 993, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  52 ASN  HD22   72 GLY  HN       5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 993, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  52 ASN  HD22   72 GLY  HN       5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 993, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  53 GLY  HN     53 GLY  HA2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 761, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  53 GLY  HN     53 GLY  HA3      3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 762, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  53 GLY  HN     54 SER  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 766, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  53 GLY  HN     54 SER  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 766, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  53 GLY  HN     54 SER  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 766, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  53 GLY  HN     54 SER  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 766, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  53 GLY  HN     54 SER  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 771, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN     54 SER  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 771, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN     54 SER  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 771, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN    122 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1723, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN    122 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1723, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN    122 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1723, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN    123 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1735, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN    123 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1735, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN    123 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1735, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN    123 LYS  HA       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1737, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  53 GLY  HN    123 LYS  HA       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1737, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  53 GLY  HN    123 LYS  HA       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1737, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  53 GLY  HN    123 LYS  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1740, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN    123 LYS  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1740, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN    123 LYS  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1740, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HN    124 ALA  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1757, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  53 GLY  HN    124 ALA  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1757, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  53 GLY  HN    124 ALA  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1757, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  53 GLY  HN    124 ALA  QB       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2=1761,1762,1763,
 &end
#
#  53 GLY  HN    124 ALA  QB       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2=1761,1762,1763,
 &end
#
#  53 GLY  HN    124 ALA  QB       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2=1761,1762,1763,
 &end
#
#  53 GLY  HN    152 VAL  QG1      4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=2141,2142,2143,
 &end
#
#  53 GLY  HN    152 VAL  QG1      4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=2141,2142,2143,
 &end
#
#  53 GLY  HN    152 VAL  QG1      4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=2141,2142,2143,
 &end
#
#  53 GLY  HN    152 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2145,2146,2147,
 &end
#
#  53 GLY  HN    152 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2145,2146,2147,
 &end
#
#  53 GLY  HN    152 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2145,2146,2147,
 &end
#
#  53 GLY  HA2    53 GLY  HA3      3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 762, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  53 GLY  HA2    54 SER  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 766, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  53 GLY  HA2    54 SER  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 766, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  53 GLY  HA2   124 ALA  HN       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 761,1757, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  53 GLY  HA2   124 ALA  HN       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 761,1757, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  53 GLY  HA2   124 ALA  HN       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 761,1757, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  53 GLY  HA2   124 ALA  HA       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 761,1759, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  53 GLY  HA2   124 ALA  HA       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 761,1759, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  53 GLY  HA2   124 ALA  HA       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 761,1759, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  53 GLY  HA2   124 ALA  QB       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1761,1762,1763,
 &end
#
#  53 GLY  HA2   124 ALA  QB       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1761,1762,1763,
 &end
#
#  53 GLY  HA2   124 ALA  QB       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1761,1762,1763,
 &end
#
#  53 GLY  HA2   152 VAL  HA       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 761,2137, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  53 GLY  HA2   152 VAL  HA       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 761,2137, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  53 GLY  HA2   152 VAL  HA       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 761,2137, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  53 GLY  HA2   152 VAL  QG1      4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=2141,2142,2143,
 &end
#
#  53 GLY  HA2   152 VAL  QG1      4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=2141,2142,2143,
 &end
#
#  53 GLY  HA2   152 VAL  QG1      4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=2141,2142,2143,
 &end
#
#  53 GLY  HA3    54 SER  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 766, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  53 GLY  HA3    54 SER  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 770, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HA3    54 SER  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 770, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HA3    54 SER  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 770, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HA3   123 LYS  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1735, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  53 GLY  HA3   123 LYS  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1735, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  53 GLY  HA3   123 LYS  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1735, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  53 GLY  HA3   123 LYS  HA       5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1737, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  53 GLY  HA3   123 LYS  HA       5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1737, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  53 GLY  HA3   123 LYS  HA       5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1737, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  53 GLY  HA3   124 ALA  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1757, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  53 GLY  HA3   124 ALA  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1757, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  53 GLY  HA3   124 ALA  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1757, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  53 GLY  HA3   124 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1759, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HA3   124 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1759, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HA3   124 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762,1759, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HA3   124 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1761,1762,1763,
 &end
#
#  53 GLY  HA3   124 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1761,1762,1763,
 &end
#
#  53 GLY  HA3   124 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1761,1762,1763,
 &end
#
#  53 GLY  HA3   152 VAL  QG1      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=2141,2142,2143,
 &end
#
#  53 GLY  HA3   152 VAL  QG1      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=2141,2142,2143,
 &end
#
#  53 GLY  HA3   152 VAL  QG1      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=2141,2142,2143,
 &end
#
#  53 GLY  HA3   153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762,2151, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HA3   153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762,2151, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  53 GLY  HA3   153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 762,2151, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HN     54 SER  HA       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 768, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  54 SER  HN     54 SER  HB2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 770, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  54 SER  HN     54 SER  HB2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 770, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  54 SER  HN     54 SER  HB2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 770, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  54 SER  HN     54 SER  HB3      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 771, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  54 SER  HN     54 SER  HB3      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 771, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  54 SER  HN     54 SER  HB3      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 771, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  54 SER  HN     55 CYX  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 777, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  54 SER  HN     55 CYX  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 777, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  54 SER  HN     55 CYX  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 777, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  54 SER  HN     55 CYX  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 777, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  54 SER  HN     55 CYX  HA       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 779, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  54 SER  HN     55 CYX  HA       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 779, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  54 SER  HN     55 CYX  HA       5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 779, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  54 SER  HN     69 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HN     69 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HN     69 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HN     70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HN     70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HN     70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HN     70 ALA  HA       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 978, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  54 SER  HN     70 ALA  HA       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 978, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  54 SER  HN     70 ALA  HA       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 978, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  54 SER  HN     70 ALA  QB       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 980, 981, 982,
 &end
#
#  54 SER  HN     70 ALA  QB       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 980, 981, 982,
 &end
#
#  54 SER  HN     70 ALA  QB       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 980, 981, 982,
 &end
#
#  54 SER  HN    124 ALA  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 766,1757, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  54 SER  HN    124 ALA  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 766,1757, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  54 SER  HN    124 ALA  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 766,1757, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  54 SER  HN    124 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 766,1759, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HN    124 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 766,1759, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HN    124 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 766,1759, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HN    124 ALA  QB       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1761,1762,1763,
 &end
#
#  54 SER  HN    124 ALA  QB       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1761,1762,1763,
 &end
#
#  54 SER  HN    124 ALA  QB       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1761,1762,1763,
 &end
#
#  54 SER  HN    152 VAL  QG1      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=2141,2142,2143,
 &end
#
#  54 SER  HN    152 VAL  QG1      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=2141,2142,2143,
 &end
#
#  54 SER  HN    152 VAL  QG1      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=2141,2142,2143,
 &end
#
#  54 SER  HN    152 VAL  QG2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=2145,2146,2147,
 &end
#
#  54 SER  HN    152 VAL  QG2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=2145,2146,2147,
 &end
#
#  54 SER  HN    152 VAL  QG2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=2145,2146,2147,
 &end
#
#  54 SER  HA     54 SER  HB2      4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  54 SER  HA     54 SER  HB3      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 771, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  54 SER  HA     55 CYX  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 777, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  54 SER  HA     55 CYX  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 777, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  54 SER  HA     55 CYX  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 777, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  54 SER  HA     55 CYX  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 777, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  54 SER  HA     55 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 782, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HA     55 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 782, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HA     55 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 782, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HA     55 CYX  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 781, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HA     55 CYX  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 781, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HA     55 CYX  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 781, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HA     56 GLN  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 787, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  54 SER  HA     56 GLN  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 787, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  54 SER  HA     56 GLN  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 787, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  54 SER  HA     69 ALA  QB       5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HA     69 ALA  QB       5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HA     69 ALA  QB       5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HB2    54 SER  HB3      3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 771, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  54 SER  HB2    55 CYX  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 777, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  54 SER  HB2    55 CYX  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 777, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  54 SER  HB2    55 CYX  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 777, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  54 SER  HB2    56 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 787, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HB2    56 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 787, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HB2    56 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 787, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HB2    69 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 966, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HB2    69 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 966, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HB2    69 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 966, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  54 SER  HB2    69 ALA  QB       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HB2    69 ALA  QB       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HB2    69 ALA  QB       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HB2    70 ALA  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 976, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  54 SER  HB2    70 ALA  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 976, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  54 SER  HB2    70 ALA  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 976, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  54 SER  HB2    70 ALA  HA       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  54 SER  HB2    70 ALA  HA       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  54 SER  HB2    70 ALA  HA       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  54 SER  HB2    70 ALA  QB       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 980, 981, 982,
 &end
#
#  54 SER  HB2    70 ALA  QB       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 980, 981, 982,
 &end
#
#  54 SER  HB2    70 ALA  QB       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 980, 981, 982,
 &end
#
#  54 SER  HB2   152 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2145,2146,2147,
 &end
#
#  54 SER  HB2   152 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2145,2146,2147,
 &end
#
#  54 SER  HB2   152 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2145,2146,2147,
 &end
#
#  54 SER  HB3    55 CYX  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 777, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  54 SER  HB3    55 CYX  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 777, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  54 SER  HB3    55 CYX  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 777, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  54 SER  HB3    55 CYX  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 777, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  54 SER  HB3    56 GLN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 787, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  54 SER  HB3    56 GLN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 787, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  54 SER  HB3    56 GLN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 787, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  54 SER  HB3    69 ALA  QB       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HB3    69 ALA  QB       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 970, 971, 972,
 &end
#
#  54 SER  HB3    69 ALA  QB       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 970, 971, 972,
 &end
#
#  55 CYX  HN     55 CYX  HA       5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 779, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  55 CYX  HN     55 CYX  HB2      4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 782, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  55 CYX  HN     55 CYX  HB3      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 781, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  55 CYX  HN     55 CYX  HB3      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 781, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  55 CYX  HN     55 CYX  HB3      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 781, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  55 CYX  HN     56 GLN  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 787, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  55 CYX  HN     56 GLN  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 787, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  55 CYX  HN     56 GLN  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 787, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  55 CYX  HN     56 GLN  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 787, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  55 CYX  HN     56 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 789, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HN     56 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 789, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HN     56 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 789, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HN     56 GLN  HNE1     5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 799, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  55 CYX  HN     56 GLN  HNE1     5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 799, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  55 CYX  HN     56 GLN  HNE1     5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 799, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  55 CYX  HN     56 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 800, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HN     56 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 800, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HN     56 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 800, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HN     69 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 970, 971, 972,
 &end
#
#  55 CYX  HN     69 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 970, 971, 972,
 &end
#
#  55 CYX  HN     69 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 970, 971, 972,
 &end
#
#  55 CYX  HN     70 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 980, 981, 982,
 &end
#
#  55 CYX  HN     70 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 980, 981, 982,
 &end
#
#  55 CYX  HN     70 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 980, 981, 982,
 &end
#
#  55 CYX  HN    152 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2141,2142,2143,
 &end
#
#  55 CYX  HN    152 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2141,2142,2143,
 &end
#
#  55 CYX  HN    152 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2141,2142,2143,
 &end
#
#  55 CYX  HN    152 VAL  QG2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=2145,2146,2147,
 &end
#
#  55 CYX  HN    152 VAL  QG2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=2145,2146,2147,
 &end
#
#  55 CYX  HN    152 VAL  QG2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=2145,2146,2147,
 &end
#
#  55 CYX  HA     55 CYX  HB2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 782, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  55 CYX  HA     55 CYX  HB3      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 781, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  55 CYX  HA     56 GLN  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 787, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  55 CYX  HA     56 GLN  HNE2     5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 800, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  55 CYX  HA     56 GLN  HNE2     5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 800, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  55 CYX  HA     56 GLN  HNE2     5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 800, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  55 CYX  HA     67 ALA  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 943, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  55 CYX  HA     67 ALA  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 943, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  55 CYX  HA     67 ALA  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 943, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  55 CYX  HA     67 ALA  QB       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 945, 946, 947,
 &end
#
#  55 CYX  HA     67 ALA  QB       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 945, 946, 947,
 &end
#
#  55 CYX  HA     67 ALA  QB       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 945, 946, 947,
 &end
#
#  55 CYX  HA     69 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 970, 971, 972,
 &end
#
#  55 CYX  HA     69 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 970, 971, 972,
 &end
#
#  55 CYX  HA     69 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 970, 971, 972,
 &end
#
#  55 CYX  HA     70 ALA  QB       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2= 980, 981, 982,
 &end
#
#  55 CYX  HA     70 ALA  QB       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2= 980, 981, 982,
 &end
#
#  55 CYX  HA     70 ALA  QB       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2= 980, 981, 982,
 &end
#
#  55 CYX  HA    150 CYX  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 779,2122, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HA    150 CYX  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 779,2122, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HA    150 CYX  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 779,2122, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HB2    55 CYX  HB3      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 781, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  55 CYX  HB2    56 GLN  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 787, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  55 CYX  HB2    56 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 787, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HB2    56 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 787, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HB2    56 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 787, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HB2    56 GLN  HNE1     5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 799, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  55 CYX  HB2    56 GLN  HNE1     5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 799, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  55 CYX  HB2    56 GLN  HNE1     5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 799, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  55 CYX  HB2   150 CYX  HB3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 782,2122, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  55 CYX  HB2   150 CYX  HB3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 782,2122, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  55 CYX  HB2   150 CYX  HB3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 782,2122, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  55 CYX  HB3    56 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 787, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HB3    56 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 787, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  55 CYX  HB3    56 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 787, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  56 GLN  HN     56 GLN  HA       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 789, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  56 GLN  HN     56 GLN  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 791, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  56 GLN  HN     56 GLN  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 791, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  56 GLN  HN     56 GLN  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 791, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  56 GLN  HN     56 GLN  HB3      4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 792, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  56 GLN  HN     56 GLN  HB3      4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 792, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  56 GLN  HN     56 GLN  HB3      4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 792, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  56 GLN  HN     56 GLN  HG2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 794, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  56 GLN  HN     56 GLN  HG2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 794, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  56 GLN  HN     56 GLN  HG2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 794, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  56 GLN  HN     56 GLN  HG3      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 795, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  56 GLN  HN     56 GLN  HG3      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 795, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  56 GLN  HN     56 GLN  HG3      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 795, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  56 GLN  HN     57 PRO  HD2      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 805, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  56 GLN  HN     57 PRO  HD2      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 805, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  56 GLN  HN     57 PRO  HD2      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 805, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  56 GLN  HN     67 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 945, 946, 947,
 &end
#
#  56 GLN  HN     67 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 945, 946, 947,
 &end
#
#  56 GLN  HN     67 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 945, 946, 947,
 &end
#
#  56 GLN  HN     69 ALA  QB       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 970, 971, 972,
 &end
#
#  56 GLN  HN     69 ALA  QB       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 970, 971, 972,
 &end
#
#  56 GLN  HN     69 ALA  QB       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 970, 971, 972,
 &end
#
#  56 GLN  HA     56 GLN  HB2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 791, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  56 GLN  HA     56 GLN  HB3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 792, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  56 GLN  HA     56 GLN  HNE2     5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 800, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  56 GLN  HA     56 GLN  HNE2     5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 800, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  56 GLN  HA     56 GLN  HNE2     5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 800, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  56 GLN  HA     56 GLN  HG2      5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 794, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  56 GLN  HA     56 GLN  HG3      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 795, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  56 GLN  HA     57 PRO  HD3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 806, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  56 GLN  HA     57 PRO  HD3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 806, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  56 GLN  HA     57 PRO  HD3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 806, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  56 GLN  HA     57 PRO  QG       5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 808, 809,
 &end
#
#  56 GLN  HA     57 PRO  QG       5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 808, 809,
 &end
#
#  56 GLN  HA     57 PRO  QG       5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 808, 809,
 &end
#
#  56 GLN  HB2    56 GLN  HNE2     5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 800, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  56 GLN  HB2    56 GLN  HNE2     5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 800, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  56 GLN  HB2    56 GLN  HNE2     5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 800, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  56 GLN  HB2    57 PRO  HD2      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 805, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  56 GLN  HB2    57 PRO  HD2      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 805, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  56 GLN  HB2    57 PRO  HD2      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 805, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  56 GLN  HB2    69 ALA  QB       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 970, 971, 972,
 &end
#
#  56 GLN  HB2    69 ALA  QB       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 970, 971, 972,
 &end
#
#  56 GLN  HB2    69 ALA  QB       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 970, 971, 972,
 &end
#
#  56 GLN  HB3    56 GLN  HB2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 791, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  56 GLN  HB3    56 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 800, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  56 GLN  HB3    56 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 800, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  56 GLN  HB3    56 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 800, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  56 GLN  HB3    56 GLN  HG3      4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 795, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  56 GLN  HB3    57 PRO  HD3      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 806, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  56 GLN  HB3    57 PRO  HD3      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 806, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  56 GLN  HB3    57 PRO  HD3      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 806, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  56 GLN  HNE2   56 GLN  HNE1     3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 799, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  56 GLN  HG2    56 GLN  HNE1     4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 799, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  56 GLN  HG2    56 GLN  HNE2     4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 800, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  56 GLN  HG3    56 GLN  HNE1     4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 799, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  56 GLN  HG3    56 GLN  HNE2     4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 800, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  56 GLN  HG3    56 GLN  HG2      3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 794, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  56 GLN  HG3    69 ALA  QB       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 970, 971, 972,
 &end
#
#  56 GLN  HG3    69 ALA  QB       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 970, 971, 972,
 &end
#
#  56 GLN  HG3    69 ALA  QB       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 970, 971, 972,
 &end
#
#  57 PRO  HA     58 ALA  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 818, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  57 PRO  HA     58 ALA  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 818, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  57 PRO  HA     58 ALA  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 818, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  57 PRO  HA     58 ALA  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 818, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  57 PRO  HA     64 ALA  QB       6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2= 909, 910, 911,
 &end
#
#  57 PRO  HA     64 ALA  QB       6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2= 909, 910, 911,
 &end
#
#  57 PRO  HA     64 ALA  QB       6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2= 909, 910, 911,
 &end
#
#  57 PRO  HA     65 VAL  HN       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 915, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  57 PRO  HA     65 VAL  HN       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 915, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  57 PRO  HA     65 VAL  HN       5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 915, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  57 PRO  HA     67 ALA  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 941, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  57 PRO  HA     67 ALA  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 941, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  57 PRO  HA     67 ALA  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 941, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  57 PRO  HA     67 ALA  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 943, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  57 PRO  HA     67 ALA  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 943, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  57 PRO  HA     67 ALA  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 943, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  57 PRO  HA     67 ALA  QB       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 945, 946, 947,
 &end
#
#  57 PRO  HA     67 ALA  QB       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 945, 946, 947,
 &end
#
#  57 PRO  HA     67 ALA  QB       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 945, 946, 947,
 &end
#
#  57 PRO  HA     68 GLU  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 951, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  57 PRO  HA     68 GLU  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 951, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  57 PRO  HA     68 GLU  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 951, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  57 PRO  HA     68 GLU  HA       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 953, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  57 PRO  HA     68 GLU  HA       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 953, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  57 PRO  HA     68 GLU  HA       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 953, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  57 PRO  HA     68 GLU  HB2      5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 955, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  57 PRO  HA     68 GLU  HB2      5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 955, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  57 PRO  HA     68 GLU  HB2      5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 955, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  57 PRO  HA     69 ALA  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 966, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  57 PRO  HA     69 ALA  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 966, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  57 PRO  HA     69 ALA  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 966, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  57 PRO  HB2    57 PRO  HA       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 814, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  57 PRO  HB2    58 ALA  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 818, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  57 PRO  HB2    58 ALA  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 818, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  57 PRO  HB2    58 ALA  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 818, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  57 PRO  HB2    58 ALA  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 818, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  57 PRO  HB2    64 ALA  QB       4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 909, 910, 911,
 &end
#
#  57 PRO  HB2    64 ALA  QB       4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 909, 910, 911,
 &end
#
#  57 PRO  HB2    64 ALA  QB       4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 909, 910, 911,
 &end
#
#  57 PRO  HB2    66 ALA  HA       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 933, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  57 PRO  HB2    66 ALA  HA       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 933, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  57 PRO  HB2    66 ALA  HA       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 933, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  57 PRO  HB2    67 ALA  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 941, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  57 PRO  HB2    67 ALA  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 941, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  57 PRO  HB2    67 ALA  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 941, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  57 PRO  HB2    67 ALA  HA       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 943, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  57 PRO  HB2    67 ALA  HA       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 943, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  57 PRO  HB2    67 ALA  HA       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 943, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  57 PRO  HB2    68 GLU  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 951, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  57 PRO  HB2    68 GLU  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 951, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  57 PRO  HB2    68 GLU  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 951, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  57 PRO  HB3    57 PRO  HA       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 814, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  57 PRO  HB3    57 PRO  HB2      3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 811, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  57 PRO  HB3    58 ALA  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 818, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  57 PRO  HB3    58 ALA  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 818, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  57 PRO  HB3    58 ALA  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 818, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  57 PRO  HB3    65 VAL  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 915, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  57 PRO  HB3    65 VAL  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 915, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  57 PRO  HB3    65 VAL  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 915, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  57 PRO  HB3    66 ALA  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  57 PRO  HB3    66 ALA  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  57 PRO  HB3    66 ALA  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  57 PRO  HB3    67 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 941, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  57 PRO  HB3    67 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 941, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  57 PRO  HB3    67 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 941, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  57 PRO  HB3    68 GLU  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 951, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  57 PRO  HB3    68 GLU  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 951, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  57 PRO  HB3    68 GLU  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 951, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  57 PRO  HD2    57 PRO  HD3      2.64
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 806, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
#  57 PRO  HD2    67 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 945, 946, 947,
 &end
#
#  57 PRO  HD2    67 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 945, 946, 947,
 &end
#
#  57 PRO  HD2    67 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 945, 946, 947,
 &end
#
#  57 PRO  HD3    57 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 814, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  57 PRO  HD3    57 PRO  QG       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 808, 809,
 &end
#
#  57 PRO  QG     58 ALA  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 808, 809,
 &end
#
#  57 PRO  QG     58 ALA  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 808, 809,
 &end
#
#  57 PRO  QG     58 ALA  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 808, 809,
 &end
#
#  57 PRO  QG     64 ALA  QB       5.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1= 808, 809,
 igr2= 909, 910, 911,
 &end
#
#  57 PRO  QG     64 ALA  QB       5.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1= 808, 809,
 igr2= 909, 910, 911,
 &end
#
#  57 PRO  QG     64 ALA  QB       5.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1= 808, 809,
 igr2= 909, 910, 911,
 &end
#
#  57 PRO  QG     66 ALA  HA       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 808, 809,
 &end
#
#  57 PRO  QG     66 ALA  HA       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 808, 809,
 &end
#
#  57 PRO  QG     66 ALA  HA       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 808, 809,
 &end
#
#  58 ALA  HN     58 ALA  HA       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 820, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  58 ALA  HN     58 ALA  QB       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 822, 823, 824,
 &end
#
#  58 ALA  HN     58 ALA  QB       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 822, 823, 824,
 &end
#
#  58 ALA  HN     58 ALA  QB       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 822, 823, 824,
 &end
#
#  58 ALA  HN     59 ILE  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 828, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  58 ALA  HN     59 ILE  HN       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 828, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  58 ALA  HN     59 ILE  HN       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 828, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  58 ALA  HN     59 ILE  HN       5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 828, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  58 ALA  HN     59 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 841, 842, 843,
 &end
#
#  58 ALA  HN     59 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 841, 842, 843,
 &end
#
#  58 ALA  HN     59 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 841, 842, 843,
 &end
#
#  58 ALA  HN     60 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 847, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     60 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 847, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     60 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 847, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     64 ALA  HA       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 907, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  58 ALA  HN     64 ALA  HA       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 907, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  58 ALA  HN     64 ALA  HA       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 907, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  58 ALA  HN     64 ALA  QB       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 909, 910, 911,
 &end
#
#  58 ALA  HN     64 ALA  QB       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 909, 910, 911,
 &end
#
#  58 ALA  HN     64 ALA  QB       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 909, 910, 911,
 &end
#
#  58 ALA  HN     65 VAL  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 915, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  58 ALA  HN     65 VAL  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 915, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  58 ALA  HN     65 VAL  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 915, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  58 ALA  HN     65 VAL  HB       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 919, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  58 ALA  HN     65 VAL  HB       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 919, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  58 ALA  HN     65 VAL  HB       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 919, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  58 ALA  HN     65 VAL  QG2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 925, 926, 927,
 &end
#
#  58 ALA  HN     65 VAL  QG2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 925, 926, 927,
 &end
#
#  58 ALA  HN     65 VAL  QG2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 925, 926, 927,
 &end
#
#  58 ALA  HN     66 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 931, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     66 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 931, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     66 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 931, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     67 ALA  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 941, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  58 ALA  HN     67 ALA  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 941, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  58 ALA  HN     67 ALA  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 941, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  58 ALA  HN     67 ALA  HA       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 943, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  58 ALA  HN     67 ALA  HA       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 943, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  58 ALA  HN     67 ALA  HA       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 943, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  58 ALA  HN     68 GLU  HN       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 951, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  58 ALA  HN     68 GLU  HN       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 951, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  58 ALA  HN     68 GLU  HN       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 951, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  58 ALA  HN     68 GLU  HA       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 953, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  58 ALA  HN     68 GLU  HA       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 953, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  58 ALA  HN     68 GLU  HA       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 953, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  58 ALA  HN     68 GLU  HB2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 955, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  58 ALA  HN     68 GLU  HB2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 955, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  58 ALA  HN     68 GLU  HB2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 955, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  58 ALA  HN     68 GLU  HB3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 956, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  58 ALA  HN     68 GLU  HB3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 956, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  58 ALA  HN     68 GLU  HB3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 956, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  58 ALA  HN     68 GLU  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 958, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     68 GLU  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 958, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     68 GLU  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 958, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     68 GLU  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 959, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     68 GLU  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 959, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     68 GLU  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 959, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  58 ALA  HN     69 ALA  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  58 ALA  HN     69 ALA  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  58 ALA  HN     69 ALA  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  58 ALA  HA     59 ILE  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 828, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  58 ALA  HA     59 ILE  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 828, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  58 ALA  HA     59 ILE  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 828, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  58 ALA  HA     59 ILE  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 828, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  58 ALA  HA     59 ILE  HG13     5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 839, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  58 ALA  HA     59 ILE  HG13     5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 839, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  58 ALA  HA     59 ILE  HG13     5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 839, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  58 ALA  HA     59 ILE  QD1      5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2= 841, 842, 843,
 &end
#
#  58 ALA  HA     59 ILE  QD1      5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2= 841, 842, 843,
 &end
#
#  58 ALA  HA     59 ILE  QD1      5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2= 841, 842, 843,
 &end
#
#  58 ALA  HA     64 ALA  QB       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 909, 910, 911,
 &end
#
#  58 ALA  HA     64 ALA  QB       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 909, 910, 911,
 &end
#
#  58 ALA  HA     64 ALA  QB       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 909, 910, 911,
 &end
#
#  58 ALA  QB     59 ILE  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     58 ALA  HA       3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     59 ILE  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     59 ILE  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     59 ILE  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     60 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     60 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     60 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     68 GLU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     68 GLU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     68 GLU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     68 GLU  HB3      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     68 GLU  HB3      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 822, 823, 824,
 &end
#
#  58 ALA  QB     68 GLU  HB3      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 822, 823, 824,
 &end
#
#  59 ILE  HN     59 ILE  HA       3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 830, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  59 ILE  HN     59 ILE  HB       3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 832, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  59 ILE  HN     59 ILE  HB       3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 832, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  59 ILE  HN     59 ILE  HB       3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 832, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  59 ILE  HN     59 ILE  HG12     3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 838, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  59 ILE  HN     59 ILE  HG12     3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 838, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  59 ILE  HN     59 ILE  HG12     3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 838, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  59 ILE  HN     59 ILE  HG13     4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 839, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  59 ILE  HN     59 ILE  HG13     4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 839, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  59 ILE  HN     59 ILE  HG13     4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 839, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  59 ILE  HN     59 ILE  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 841, 842, 843,
 &end
#
#  59 ILE  HN     59 ILE  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 841, 842, 843,
 &end
#
#  59 ILE  HN     59 ILE  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 841, 842, 843,
 &end
#
#  59 ILE  HN     59 ILE  QG2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 834, 835, 836,
 &end
#
#  59 ILE  HN     59 ILE  QG2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 834, 835, 836,
 &end
#
#  59 ILE  HN     59 ILE  QG2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 834, 835, 836,
 &end
#
#  59 ILE  HN     60 LYS  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 847, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  59 ILE  HN     60 LYS  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 847, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  59 ILE  HN     60 LYS  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 847, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  59 ILE  HN     65 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 915, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  59 ILE  HN     65 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 915, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  59 ILE  HN     65 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 915, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  59 ILE  HA     59 ILE  HB       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 832, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  59 ILE  HA     59 ILE  QD1      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 841, 842, 843,
 &end
#
#  59 ILE  HA     59 ILE  QD1      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 841, 842, 843,
 &end
#
#  59 ILE  HA     59 ILE  QD1      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 841, 842, 843,
 &end
#
#  59 ILE  HA     59 ILE  QG2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 834, 835, 836,
 &end
#
#  59 ILE  HA     59 ILE  QG2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 834, 835, 836,
 &end
#
#  59 ILE  HA     59 ILE  QG2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 834, 835, 836,
 &end
#
#  59 ILE  HA     60 LYS  HN       2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 847, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  59 ILE  HA     60 LYS  HN       2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 847, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  59 ILE  HA     60 LYS  HN       2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 847, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  59 ILE  HA     60 LYS  HB3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 852, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  59 ILE  HA     60 LYS  HB3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 852, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  59 ILE  HA     60 LYS  HB3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 852, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  59 ILE  HA     62 GLY  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 881, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  59 ILE  HA     62 GLY  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 881, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  59 ILE  HA     62 GLY  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 881, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  59 ILE  HA     63 GLN  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 888, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  59 ILE  HA     63 GLN  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 888, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  59 ILE  HA     63 GLN  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 888, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  59 ILE  HA     64 ALA  HA       2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 907, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  59 ILE  HA     64 ALA  HA       2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 907, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  59 ILE  HA     64 ALA  HA       2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 907, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  59 ILE  HA     64 ALA  QB       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 909, 910, 911,
 &end
#
#  59 ILE  HA     64 ALA  QB       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 909, 910, 911,
 &end
#
#  59 ILE  HA     64 ALA  QB       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 909, 910, 911,
 &end
#
#  59 ILE  HA     65 VAL  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 915, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  59 ILE  HA     65 VAL  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 915, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  59 ILE  HA     65 VAL  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 915, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  59 ILE  HB     59 ILE  HG12     4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 838, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  59 ILE  HB     59 ILE  QD1      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 841, 842, 843,
 &end
#
#  59 ILE  HB     59 ILE  QG2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 834, 835, 836,
 &end
#
#  59 ILE  HB     63 GLN  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 888, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  59 ILE  HB     63 GLN  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 888, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  59 ILE  HB     63 GLN  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 888, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  59 ILE  HG12   59 ILE  HG13     3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 839, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  59 ILE  HG13   64 ALA  HA       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 907, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  59 ILE  HG13   64 ALA  HA       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 907, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  59 ILE  HG13   64 ALA  HA       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 907, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  59 ILE  QD1    59 ILE  HG13     3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    62 GLY  HA3      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    62 GLY  HA3      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    62 GLY  HA3      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    63 GLN  HN       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    63 GLN  HN       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    63 GLN  HN       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    63 GLN  HA       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    63 GLN  HA       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    63 GLN  HA       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    64 ALA  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    64 ALA  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    64 ALA  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    64 ALA  HA       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    64 ALA  HA       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    64 ALA  HA       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    64 ALA  QB       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 841, 842, 843,
 igr2= 909, 910, 911,
 &end
#
#  59 ILE  QD1    64 ALA  QB       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 841, 842, 843,
 igr2= 909, 910, 911,
 &end
#
#  59 ILE  QD1    64 ALA  QB       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 841, 842, 843,
 igr2= 909, 910, 911,
 &end
#
#  59 ILE  QD1    65 VAL  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    65 VAL  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QD1    65 VAL  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 841, 842, 843,
 &end
#
#  59 ILE  QG2    59 ILE  HG12     3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    59 ILE  HG12     3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    59 ILE  HG12     3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    60 LYS  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    60 LYS  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    60 LYS  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    60 LYS  HA       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    60 LYS  HA       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    60 LYS  HA       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    60 LYS  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    60 LYS  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    60 LYS  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    61 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    61 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    61 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    62 GLY  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    62 GLY  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    62 GLY  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    62 GLY  HA2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    62 GLY  HA2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    62 GLY  HA2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    62 GLY  HA3      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    62 GLY  HA3      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    62 GLY  HA3      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    63 GLN  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    63 GLN  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 834, 835, 836,
 &end
#
#  59 ILE  QG2    63 GLN  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 834, 835, 836,
 &end
#
#  60 LYS  HN     60 LYS  HA       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  60 LYS  HN     60 LYS  HB2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 851, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  60 LYS  HN     60 LYS  HB2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 851, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  60 LYS  HN     60 LYS  HB2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 851, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  60 LYS  HN     60 LYS  HB3      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  60 LYS  HN     60 LYS  HB3      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  60 LYS  HN     60 LYS  HB3      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  60 LYS  HN     60 LYS  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 854, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HN     60 LYS  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 854, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HN     60 LYS  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 854, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HN     60 LYS  HG3      5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 855, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  60 LYS  HN     60 LYS  HG3      5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 855, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  60 LYS  HN     60 LYS  HG3      5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 855, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  60 LYS  HN     61 ASP  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 869, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  60 LYS  HN     61 ASP  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 869, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  60 LYS  HN     61 ASP  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 869, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  60 LYS  HN     62 GLY  HN       5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 881, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  60 LYS  HN     62 GLY  HN       5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 881, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  60 LYS  HN     62 GLY  HN       5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 881, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  60 LYS  HN     63 GLN  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 888, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  60 LYS  HN     63 GLN  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 888, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  60 LYS  HN     63 GLN  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 888, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  60 LYS  HN     63 GLN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 892, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HN     63 GLN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 892, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HN     63 GLN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 892, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HN     63 GLN  QG       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 895, 896,
 &end
#
#  60 LYS  HN     63 GLN  QG       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 895, 896,
 &end
#
#  60 LYS  HN     63 GLN  QG       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 895, 896,
 &end
#
#  60 LYS  HN     64 ALA  HN       5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 905, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  60 LYS  HN     64 ALA  HN       5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 905, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  60 LYS  HN     64 ALA  HN       5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 905, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  60 LYS  HN     65 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 915, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HN     65 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 915, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HN     65 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 915, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HN     65 VAL  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 925, 926, 927,
 &end
#
#  60 LYS  HN     65 VAL  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 925, 926, 927,
 &end
#
#  60 LYS  HN     65 VAL  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 925, 926, 927,
 &end
#
#  60 LYS  HA     60 LYS  HB2      4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 851, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  60 LYS  HA     60 LYS  HB3      3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 852, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  60 LYS  HA     60 LYS  HG3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 855, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  60 LYS  HA     60 LYS  HG3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 855, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  60 LYS  HA     60 LYS  HG3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 855, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  60 LYS  HA     61 ASP  HN       3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 869, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  60 LYS  HA     61 ASP  HN       3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 869, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  60 LYS  HA     61 ASP  HN       3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 869, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  60 LYS  HA     61 ASP  HB2      5.70
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 873, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  60 LYS  HA     61 ASP  HB2      5.70
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 873, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  60 LYS  HA     61 ASP  HB2      5.70
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 873, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  60 LYS  HA     61 ASP  HB3      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 874, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  60 LYS  HA     61 ASP  HB3      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 874, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  60 LYS  HA     61 ASP  HB3      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 874, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  60 LYS  HA     62 GLY  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 881, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  60 LYS  HA     62 GLY  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 881, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  60 LYS  HA     62 GLY  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 881, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  60 LYS  HA     63 GLN  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 888, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  60 LYS  HA     63 GLN  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 888, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  60 LYS  HA     63 GLN  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 888, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  60 LYS  HA     63 GLN  QG       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 895, 896,
 &end
#
#  60 LYS  HA     63 GLN  QG       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 895, 896,
 &end
#
#  60 LYS  HA     63 GLN  QG       5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 895, 896,
 &end
#
#  60 LYS  HB2    61 ASP  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 869, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  60 LYS  HB2    61 ASP  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 869, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  60 LYS  HB2    61 ASP  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 869, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  60 LYS  HB2    62 GLY  HN       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 LYS  HB2    62 GLY  HN       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 LYS  HB2    62 GLY  HN       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 LYS  HB3    60 LYS  HB2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 851, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  60 LYS  HB3    61 ASP  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 869, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  60 LYS  HB3    61 ASP  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 869, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  60 LYS  HB3    61 ASP  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 869, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  60 LYS  HB3    61 ASP  HB2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 873, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  60 LYS  HB3    61 ASP  HB2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 873, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  60 LYS  HB3    61 ASP  HB2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 873, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  60 LYS  HB3    62 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 881, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HB3    62 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 881, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HB3    62 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 881, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HB3    64 ALA  HA       5.74
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 907, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
#  60 LYS  HB3    64 ALA  HA       5.74
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 907, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
#  60 LYS  HB3    64 ALA  HA       5.74
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 907, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
#  60 LYS  HB3    65 VAL  QG2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 925, 926, 927,
 &end
#
#  60 LYS  HB3    65 VAL  QG2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 925, 926, 927,
 &end
#
#  60 LYS  HB3    65 VAL  QG2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 925, 926, 927,
 &end
#
#  60 LYS  HG2    61 ASP  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 869, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  60 LYS  HG2    61 ASP  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 869, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  60 LYS  HG2    61 ASP  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 869, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  60 LYS  HG2    61 ASP  HB2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 873, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  60 LYS  HG2    61 ASP  HB2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 873, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  60 LYS  HG2    61 ASP  HB2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 873, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  60 LYS  HG2    61 ASP  HB3      6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 874, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  60 LYS  HG2    61 ASP  HB3      6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 874, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  60 LYS  HG2    61 ASP  HB3      6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 874, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  60 LYS  HG3    61 ASP  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 869, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  60 LYS  HG3    61 ASP  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 869, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  60 LYS  HG3    61 ASP  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 869, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  60 LYS  HG3    61 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 874, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HG3    61 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 874, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HG3    61 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 874, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HG3    62 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 881, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HG3    62 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 881, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  60 LYS  HG3    62 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 881, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  61 ASP  HN     61 ASP  HA       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 871, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  61 ASP  HN     61 ASP  HB2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 873, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  61 ASP  HN     61 ASP  HB3      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 874, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  61 ASP  HN     62 GLY  HN       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 881, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  61 ASP  HN     62 GLY  HN       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 881, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  61 ASP  HN     62 GLY  HN       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 881, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  61 ASP  HN     62 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 881, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  61 ASP  HN     62 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 884, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  61 ASP  HN     62 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 884, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  61 ASP  HN     62 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 884, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  61 ASP  HN     63 GLN  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 888, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  61 ASP  HN     63 GLN  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 888, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  61 ASP  HN     63 GLN  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 888, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  61 ASP  HA     61 ASP  HB2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 873, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  61 ASP  HA     61 ASP  HB3      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 874, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  61 ASP  HA     62 GLY  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 881, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  61 ASP  HA     62 GLY  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 881, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  61 ASP  HA     62 GLY  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 881, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  61 ASP  HA     62 GLY  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 881, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  61 ASP  HA     63 GLN  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 888, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  61 ASP  HA     63 GLN  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 888, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  61 ASP  HA     63 GLN  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 888, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  61 ASP  HB2    61 ASP  HB3      2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 874, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  61 ASP  HB2    62 GLY  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 881, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  61 ASP  HB2    62 GLY  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 881, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  61 ASP  HB2    62 GLY  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 881, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  61 ASP  HB2    62 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 881, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  61 ASP  HB2    63 GLN  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 888, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  61 ASP  HB2    63 GLN  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 888, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  61 ASP  HB2    63 GLN  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 888, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  61 ASP  HB2    63 GLN  HNE2     4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 901, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  61 ASP  HB2    63 GLN  HNE2     4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 901, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  61 ASP  HB2    63 GLN  HNE2     4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 901, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  61 ASP  HB3    62 GLY  HN       5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 881, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  61 ASP  HB3    62 GLY  HN       5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 881, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  61 ASP  HB3    62 GLY  HN       5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 881, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  61 ASP  HB3    63 GLN  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 888, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  61 ASP  HB3    63 GLN  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 888, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  61 ASP  HB3    63 GLN  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 888, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  61 ASP  HB3    63 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 900, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  61 ASP  HB3    63 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 900, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  61 ASP  HB3    63 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 900, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  62 GLY  HN     62 GLY  HA2      3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 883, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  62 GLY  HN     62 GLY  HA3      3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 884, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  62 GLY  HN     63 GLN  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 888, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  62 GLY  HN     63 GLN  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 888, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  62 GLY  HN     63 GLN  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 888, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  62 GLY  HN     63 GLN  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 888, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  62 GLY  HN     63 GLN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 893, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  62 GLY  HN     63 GLN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 893, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  62 GLY  HN     63 GLN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 893, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  62 GLY  HN     63 GLN  HNE1     4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 900, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  62 GLY  HN     63 GLN  HNE1     4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 900, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  62 GLY  HN     63 GLN  HNE1     4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 900, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  62 GLY  HN     63 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 901, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  62 GLY  HN     63 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 901, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  62 GLY  HN     63 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 901, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  62 GLY  HN     63 GLN  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 895, 896,
 &end
#
#  62 GLY  HN     63 GLN  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 895, 896,
 &end
#
#  62 GLY  HN     63 GLN  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 895, 896,
 &end
#
#  62 GLY  HA2    62 GLY  HA3      3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 884, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  62 GLY  HA2    63 GLN  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 888, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  62 GLY  HA2    63 GLN  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 888, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  62 GLY  HA2    63 GLN  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 895, 896,
 &end
#
#  62 GLY  HA2    63 GLN  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 895, 896,
 &end
#
#  62 GLY  HA2    63 GLN  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 895, 896,
 &end
#
#  62 GLY  HA3    63 GLN  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 888, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  62 GLY  HA3    63 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 900, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  62 GLY  HA3    63 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 900, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  62 GLY  HA3    63 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 900, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  63 GLN  HN     63 GLN  HA       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 890, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  63 GLN  HN     63 GLN  HB3      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  63 GLN  HN     63 GLN  HB3      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  63 GLN  HN     63 GLN  HB3      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  63 GLN  HN     63 GLN  HNE1     3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 900, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  63 GLN  HN     63 GLN  HNE1     3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 900, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  63 GLN  HN     63 GLN  HNE1     3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 900, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  63 GLN  HN     63 GLN  QG       3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 895, 896,
 &end
#
#  63 GLN  HN     63 GLN  QG       3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 895, 896,
 &end
#
#  63 GLN  HN     63 GLN  QG       3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 895, 896,
 &end
#
#  63 GLN  HN     64 ALA  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 905, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  63 GLN  HN     64 ALA  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 905, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  63 GLN  HN     64 ALA  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 905, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  63 GLN  HN     64 ALA  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 905, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  63 GLN  HN     65 VAL  QG2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 925, 926, 927,
 &end
#
#  63 GLN  HN     65 VAL  QG2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 925, 926, 927,
 &end
#
#  63 GLN  HN     65 VAL  QG2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 925, 926, 927,
 &end
#
#  63 GLN  HA     63 GLN  HB2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 892, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  63 GLN  HA     63 GLN  HB3      4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 893, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  63 GLN  HA     63 GLN  QG       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 895, 896,
 &end
#
#  63 GLN  HA     63 GLN  QG       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 895, 896,
 &end
#
#  63 GLN  HA     63 GLN  QG       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 895, 896,
 &end
#
#  63 GLN  HA     64 ALA  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 905, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  63 GLN  HA     64 ALA  HN       2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 905, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  63 GLN  HA     64 ALA  HN       2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 905, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  63 GLN  HA     64 ALA  HN       2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 905, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  63 GLN  HA     64 ALA  QB       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 909, 910, 911,
 &end
#
#  63 GLN  HA     64 ALA  QB       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 909, 910, 911,
 &end
#
#  63 GLN  HA     64 ALA  QB       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 909, 910, 911,
 &end
#
#  63 GLN  HB2    63 GLN  HNE1     4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 900, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  63 GLN  HB2    63 GLN  HNE1     4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 900, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  63 GLN  HB2    63 GLN  HNE1     4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 900, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  63 GLN  HB2    63 GLN  HNE2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 GLN  HB2    63 GLN  HNE2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 GLN  HB2    63 GLN  HNE2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 GLN  HB2    64 ALA  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 905, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  63 GLN  HB2    64 ALA  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 905, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  63 GLN  HB2    64 ALA  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 905, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  63 GLN  HB2    64 ALA  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 905, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  63 GLN  HB3    63 GLN  HB2      3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 892, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  63 GLN  HB3    63 GLN  HNE1     4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 900, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  63 GLN  HB3    63 GLN  HNE1     4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 900, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  63 GLN  HB3    63 GLN  HNE1     4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 900, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  63 GLN  HB3    63 GLN  HNE2     5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 901, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  63 GLN  HB3    63 GLN  HNE2     5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 901, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  63 GLN  HB3    63 GLN  HNE2     5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 901, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  63 GLN  HB3    63 GLN  QG       3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 895, 896,
 &end
#
#  63 GLN  HB3    64 ALA  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 905, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  63 GLN  HB3    64 ALA  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 905, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  63 GLN  HB3    64 ALA  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 905, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  63 GLN  HNE2   63 GLN  HNE1     2.64
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 900, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
#  63 GLN  QG     63 GLN  HNE1     4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 895, 896,
 &end
#
#  63 GLN  QG     63 GLN  HNE1     4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 895, 896,
 &end
#
#  63 GLN  QG     63 GLN  HNE1     4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 895, 896,
 &end
#
#  63 GLN  QG     63 GLN  HNE2     5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 895, 896,
 &end
#
#  63 GLN  QG     64 ALA  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 895, 896,
 &end
#
#  63 GLN  QG     64 ALA  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 895, 896,
 &end
#
#  63 GLN  QG     64 ALA  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 895, 896,
 &end
#
#  63 GLN  QG     65 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 895, 896,
 &end
#
#  63 GLN  QG     65 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 895, 896,
 &end
#
#  63 GLN  QG     65 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 895, 896,
 &end
#
#  64 ALA  HN     64 ALA  HA       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  64 ALA  HN     64 ALA  QB       3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 909, 910, 911,
 &end
#
#  64 ALA  HN     64 ALA  QB       3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 909, 910, 911,
 &end
#
#  64 ALA  HN     64 ALA  QB       3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 909, 910, 911,
 &end
#
#  64 ALA  HN     65 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 925, 926, 927,
 &end
#
#  64 ALA  HN     65 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 925, 926, 927,
 &end
#
#  64 ALA  HN     65 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 925, 926, 927,
 &end
#
#  64 ALA  HN     66 ALA  HN       5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 931, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  64 ALA  HN     66 ALA  HN       5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 931, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  64 ALA  HN     66 ALA  HN       5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 931, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  64 ALA  HA     65 VAL  HN       3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 915, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  64 ALA  HA     65 VAL  HN       3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 915, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  64 ALA  HA     65 VAL  HN       3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 915, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  64 ALA  QB     64 ALA  HA       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     65 VAL  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     65 VAL  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     65 VAL  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     65 VAL  HA       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     65 VAL  HA       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     65 VAL  HA       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     66 ALA  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     66 ALA  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     66 ALA  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     68 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     68 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 909, 910, 911,
 &end
#
#  64 ALA  QB     68 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 909, 910, 911,
 &end
#
#  65 VAL  HN     65 VAL  HA       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 917, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  65 VAL  HN     65 VAL  HB       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 919, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  65 VAL  HN     65 VAL  HB       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 919, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  65 VAL  HN     65 VAL  HB       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 919, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  65 VAL  HN     65 VAL  QG2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 925, 926, 927,
 &end
#
#  65 VAL  HN     65 VAL  QG2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 925, 926, 927,
 &end
#
#  65 VAL  HN     65 VAL  QG2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 925, 926, 927,
 &end
#
#  65 VAL  HN     66 ALA  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 931, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  65 VAL  HN     66 ALA  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 931, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  65 VAL  HN     66 ALA  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 931, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  65 VAL  HN     67 ALA  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 941, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  65 VAL  HN     67 ALA  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 941, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  65 VAL  HN     67 ALA  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 941, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  65 VAL  HN     68 GLU  HN       5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 951, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  65 VAL  HN     68 GLU  HN       5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 951, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  65 VAL  HN     68 GLU  HN       5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 951, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  65 VAL  HN     68 GLU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 955, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  65 VAL  HN     68 GLU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 955, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  65 VAL  HN     68 GLU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 955, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  65 VAL  HA     65 VAL  HB       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 919, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  65 VAL  HA     65 VAL  QG2      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 925, 926, 927,
 &end
#
#  65 VAL  HA     65 VAL  QG2      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 925, 926, 927,
 &end
#
#  65 VAL  HA     65 VAL  QG2      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 925, 926, 927,
 &end
#
#  65 VAL  HA     66 ALA  HN       3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 931, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  65 VAL  HA     66 ALA  HN       3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 931, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  65 VAL  HA     66 ALA  HN       3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 931, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  65 VAL  HA     66 ALA  HA       5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 933, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  65 VAL  HA     66 ALA  HA       5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 933, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  65 VAL  HA     66 ALA  HA       5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 933, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  65 VAL  HA     66 ALA  QB       5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936, 937,
 &end
#
#  65 VAL  HA     66 ALA  QB       5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936, 937,
 &end
#
#  65 VAL  HA     66 ALA  QB       5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936, 937,
 &end
#
#  65 VAL  HB     66 ALA  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 931, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  65 VAL  HB     66 ALA  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 931, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  65 VAL  HB     66 ALA  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 931, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  65 VAL  HB     68 GLU  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 951, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  65 VAL  HB     68 GLU  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 951, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  65 VAL  HB     68 GLU  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 951, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  65 VAL  QG1    66 ALA  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 921, 922, 923,
 &end
#
#  65 VAL  QG1    66 ALA  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 921, 922, 923,
 &end
#
#  65 VAL  QG1    66 ALA  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 921, 922, 923,
 &end
#
#  65 VAL  QG1    67 ALA  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 921, 922, 923,
 &end
#
#  65 VAL  QG1    67 ALA  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 921, 922, 923,
 &end
#
#  65 VAL  QG1    67 ALA  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 921, 922, 923,
 &end
#
#  65 VAL  QG1    68 GLU  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 921, 922, 923,
 &end
#
#  65 VAL  QG1    68 GLU  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 921, 922, 923,
 &end
#
#  65 VAL  QG1    68 GLU  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 921, 922, 923,
 &end
#
#  65 VAL  QG2    68 GLU  HB2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 925, 926, 927,
 &end
#
#  65 VAL  QG2    68 GLU  HB2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 925, 926, 927,
 &end
#
#  65 VAL  QG2    68 GLU  HB2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 925, 926, 927,
 &end
#
#  66 ALA  HN     66 ALA  HA       3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 931, 933, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  66 ALA  HN     66 ALA  QB       3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 935, 936, 937,
 &end
#
#  66 ALA  HN     66 ALA  QB       3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 935, 936, 937,
 &end
#
#  66 ALA  HN     66 ALA  QB       3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 935, 936, 937,
 &end
#
#  66 ALA  HN     68 GLU  HN       5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 931, 951, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  66 ALA  HN     68 GLU  HN       5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 931, 951, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  66 ALA  HN     68 GLU  HN       5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 931, 951, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  66 ALA  HA     67 ALA  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 941, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  66 ALA  HA     67 ALA  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 941, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  66 ALA  HA     67 ALA  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 941, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  66 ALA  QB     66 ALA  HA       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB     67 ALA  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB     67 ALA  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB     67 ALA  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB    146 THR  HA       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2051, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB    146 THR  HA       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2051, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB    146 THR  HA       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2051, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB    147 ARG  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB    147 ARG  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB    147 ARG  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB    147 ARG  HA       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB    147 ARG  HA       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB    147 ARG  HA       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 935, 936, 937,
 &end
#
#  66 ALA  QB    147 ARG  QD       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 935, 936, 937,
 igr2=2073,2074,
 &end
#
#  66 ALA  QB    147 ARG  QD       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 935, 936, 937,
 igr2=2073,2074,
 &end
#
#  66 ALA  QB    147 ARG  QD       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 935, 936, 937,
 igr2=2073,2074,
 &end
#
#  66 ALA  QB    147 ARG  QG       3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 935, 936, 937,
 igr2=2070,2071,
 &end
#
#  66 ALA  QB    147 ARG  QG       3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 935, 936, 937,
 igr2=2070,2071,
 &end
#
#  66 ALA  QB    147 ARG  QG       3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 935, 936, 937,
 igr2=2070,2071,
 &end
#
#  67 ALA  HN     67 ALA  HA       3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 943, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  67 ALA  HN     67 ALA  QB       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 945, 946, 947,
 &end
#
#  67 ALA  HN     67 ALA  QB       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 945, 946, 947,
 &end
#
#  67 ALA  HN     67 ALA  QB       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 945, 946, 947,
 &end
#
#  67 ALA  HN     68 GLU  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 951, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  67 ALA  HN     68 GLU  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 951, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  67 ALA  HN     68 GLU  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 951, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  67 ALA  HN     68 GLU  HA       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 953, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  67 ALA  HN     68 GLU  HA       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 953, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  67 ALA  HN     68 GLU  HA       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 953, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  67 ALA  HN     68 GLU  HB2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 955, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  67 ALA  HN     68 GLU  HB2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 955, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  67 ALA  HN     68 GLU  HB2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 955, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  67 ALA  HN     69 ALA  HN       5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 966, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  67 ALA  HN     69 ALA  HN       5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 966, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  67 ALA  HN     69 ALA  HN       5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 966, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  67 ALA  HN    147 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 941,2076, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  67 ALA  HN    147 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 941,2076, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  67 ALA  HN    147 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 941,2076, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  67 ALA  HA     68 GLU  HN       3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 951, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  67 ALA  HA     69 ALA  HN       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 966, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  67 ALA  HA     69 ALA  HN       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 966, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  67 ALA  HA     69 ALA  HN       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 966, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  67 ALA  HA     70 ALA  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 976, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  67 ALA  HA     70 ALA  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 976, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  67 ALA  HA     70 ALA  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 976, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  67 ALA  QB     67 ALA  HA       3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 945, 946, 947,
 &end
#
#  67 ALA  QB     68 GLU  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 945, 946, 947,
 &end
#
#  67 ALA  QB     68 GLU  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 945, 946, 947,
 &end
#
#  67 ALA  QB     68 GLU  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 945, 946, 947,
 &end
#
#  67 ALA  QB     68 GLU  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 945, 946, 947,
 &end
#
#  67 ALA  QB     68 GLU  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 945, 946, 947,
 &end
#
#  67 ALA  QB     68 GLU  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 945, 946, 947,
 &end
#
#  67 ALA  QB     70 ALA  HN       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 945, 946, 947,
 &end
#
#  67 ALA  QB     70 ALA  HN       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 945, 946, 947,
 &end
#
#  67 ALA  QB     70 ALA  HN       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 945, 946, 947,
 &end
#
#  68 GLU  HN     68 GLU  HA       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 953, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  68 GLU  HN     68 GLU  HB2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  68 GLU  HN     68 GLU  HB2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  68 GLU  HN     68 GLU  HB2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  68 GLU  HN     68 GLU  HB3      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 956, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  68 GLU  HN     68 GLU  HB3      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 956, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  68 GLU  HN     68 GLU  HB3      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 956, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  68 GLU  HN     68 GLU  HG2      5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 958, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  68 GLU  HN     68 GLU  HG2      5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 958, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  68 GLU  HN     68 GLU  HG2      5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 958, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  68 GLU  HN     68 GLU  HG3      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 959, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  68 GLU  HN     68 GLU  HG3      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 959, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  68 GLU  HN     68 GLU  HG3      5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 959, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  68 GLU  HN     69 ALA  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 966, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  68 GLU  HN     69 ALA  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 966, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  68 GLU  HN     69 ALA  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 966, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  68 GLU  HN     69 ALA  HA       5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 968, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  68 GLU  HN     69 ALA  HA       5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 968, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  68 GLU  HN     69 ALA  HA       5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 968, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  68 GLU  HN     69 ALA  QB       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 970, 971, 972,
 &end
#
#  68 GLU  HN     69 ALA  QB       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 970, 971, 972,
 &end
#
#  68 GLU  HN     69 ALA  QB       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 970, 971, 972,
 &end
#
#  68 GLU  HN     70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  68 GLU  HN     70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  68 GLU  HN     70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  68 GLU  HA     68 GLU  HG2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  68 GLU  HA     68 GLU  HG2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  68 GLU  HA     68 GLU  HG2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  68 GLU  HA     69 ALA  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 966, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  68 GLU  HA     71 GLY  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 986, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  68 GLU  HA     71 GLY  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 986, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  68 GLU  HA     71 GLY  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 986, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  68 GLU  HB2    69 ALA  HN       5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 966, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  68 GLU  HB2    69 ALA  HN       5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 966, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  68 GLU  HB2    69 ALA  HN       5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 966, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  68 GLU  HB3    68 GLU  HG3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 959, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  68 GLU  HG2    68 GLU  HG3      3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 959, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  68 GLU  HG3    69 ALA  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  68 GLU  HG3    69 ALA  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  68 GLU  HG3    69 ALA  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  68 GLU  HG3    70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  68 GLU  HG3    70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  68 GLU  HG3    70 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 976, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  68 GLU  HG3    71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  68 GLU  HG3    71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  68 GLU  HG3    71 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 986, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  69 ALA  HN     69 ALA  HA       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 968, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  69 ALA  HN     69 ALA  QB       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 970, 971, 972,
 &end
#
#  69 ALA  HN     69 ALA  QB       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 970, 971, 972,
 &end
#
#  69 ALA  HN     69 ALA  QB       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 970, 971, 972,
 &end
#
#  69 ALA  HN     70 ALA  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 976, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  69 ALA  HN     70 ALA  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 976, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  69 ALA  HN     70 ALA  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 976, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  69 ALA  HN     71 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 986, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  69 ALA  HN     71 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 986, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  69 ALA  HN     71 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 986, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  69 ALA  HA     70 ALA  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 968, 976, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  69 ALA  QB     69 ALA  HA       3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 970, 971, 972,
 &end
#
#  69 ALA  QB     70 ALA  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 970, 971, 972,
 &end
#
#  69 ALA  QB     70 ALA  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 970, 971, 972,
 &end
#
#  69 ALA  QB     70 ALA  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 970, 971, 972,
 &end
#
#  69 ALA  QB     71 GLY  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 970, 971, 972,
 &end
#
#  69 ALA  QB     71 GLY  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 970, 971, 972,
 &end
#
#  69 ALA  QB     71 GLY  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 970, 971, 972,
 &end
#
#  70 ALA  HN     70 ALA  HA       4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 978, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  70 ALA  HN     70 ALA  QB       3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 980, 981, 982,
 &end
#
#  70 ALA  HN     70 ALA  QB       3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 980, 981, 982,
 &end
#
#  70 ALA  HN     70 ALA  QB       3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 980, 981, 982,
 &end
#
#  70 ALA  HN     71 GLY  HN       3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 986, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  70 ALA  HN     71 GLY  HN       3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 986, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  70 ALA  HN     71 GLY  HN       3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 986, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  70 ALA  HA     71 GLY  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 986, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  70 ALA  QB     70 ALA  HA       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 980, 981, 982,
 &end
#
#  70 ALA  QB     71 GLY  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 980, 981, 982,
 &end
#
#  70 ALA  QB     71 GLY  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 980, 981, 982,
 &end
#
#  70 ALA  QB     71 GLY  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 980, 981, 982,
 &end
#
#  70 ALA  QB    124 ALA  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 980, 981, 982,
 &end
#
#  70 ALA  QB    124 ALA  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 980, 981, 982,
 &end
#
#  70 ALA  QB    124 ALA  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 980, 981, 982,
 &end
#
#  70 ALA  QB    126 MET  QE       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 980, 981, 982,
 igr2=1797,1798,1799,
 &end
#
#  70 ALA  QB    126 MET  QE       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 980, 981, 982,
 igr2=1797,1798,1799,
 &end
#
#  70 ALA  QB    126 MET  QE       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 980, 981, 982,
 igr2=1797,1798,1799,
 &end
#
#  71 GLY  HN     71 GLY  HA2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 988, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  71 GLY  HN     71 GLY  HA3      3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 989, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  71 GLY  HN     72 GLY  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 993, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  71 GLY  HN     72 GLY  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 993, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  71 GLY  HN     72 GLY  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 993, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  71 GLY  HA2    72 GLY  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 988, 993, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  71 GLY  HA2    72 GLY  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 988, 993, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  71 GLY  HA2    72 GLY  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 988, 993, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  71 GLY  HA3    72 GLY  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 989, 993, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  72 GLY  HN     72 GLY  QA       3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 995, 996,
 &end
#
#  72 GLY  HN     73 HIC  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1000, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  72 GLY  HN     73 HIC  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1000, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  72 GLY  HN     73 HIC  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1000, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  72 GLY  QA     73 HIC  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 995, 996,
 &end
#
#  72 GLY  QA     73 HIC  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 995, 996,
 &end
#
#  72 GLY  QA     73 HIC  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 995, 996,
 &end
#
#  72 GLY  QA    141 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 995, 996,
 igr2=2015,2016,2017,
 &end
#
#  72 GLY  QA    141 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 995, 996,
 igr2=2015,2016,2017,
 &end
#
#  72 GLY  QA    141 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 995, 996,
 igr2=2015,2016,2017,
 &end
#
#  73 HIC  HN     73 HIC  HA       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1002, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  73 HIC  HN     74 LEU  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1017, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  73 HIC  HN     74 LEU  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1017, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  73 HIC  HN     74 LEU  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1017, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  73 HIC  HA     74 LEU  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1017, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  74 LEU  HN     74 LEU  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1019, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  74 LEU  HN     74 LEU  HB2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  74 LEU  HN     74 LEU  HB2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  74 LEU  HN     74 LEU  HB2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  74 LEU  HN     74 LEU  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1022, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  74 LEU  HN     74 LEU  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1022, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  74 LEU  HN     74 LEU  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1022, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  74 LEU  HN     74 LEU  QD1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1026,1027,1028,
 &end
#
#  74 LEU  HN     74 LEU  QD1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1026,1027,1028,
 &end
#
#  74 LEU  HN     74 LEU  QD1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1026,1027,1028,
 &end
#
#  74 LEU  HN     75 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1036, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HN     75 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1036, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HN     75 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1036, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HA     74 LEU  HB3      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1022, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  74 LEU  HA     74 LEU  QD1      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1026,1027,1028,
 &end
#
#  74 LEU  HA     74 LEU  QD1      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1026,1027,1028,
 &end
#
#  74 LEU  HA     74 LEU  QD1      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1026,1027,1028,
 &end
#
#  74 LEU  HA     74 LEU  QD2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1030,1031,1032,
 &end
#
#  74 LEU  HA     74 LEU  QD2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1030,1031,1032,
 &end
#
#  74 LEU  HA     74 LEU  QD2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1030,1031,1032,
 &end
#
#  74 LEU  HA     75 ASP  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1036, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  74 LEU  HA     75 ASP  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1036, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  74 LEU  HA     75 ASP  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1036, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  74 LEU  HA     75 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1041, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HA     75 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1041, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HA     75 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1041, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HA     76 PRO  HD3      3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1050, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  74 LEU  HA     76 PRO  HD3      3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1050, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  74 LEU  HA     76 PRO  HD3      3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1050, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  74 LEU  HA     92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HA     92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HA     92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HB2    92 GLY  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1271, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  74 LEU  HB2    92 GLY  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1271, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  74 LEU  HB2    92 GLY  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1271, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  74 LEU  HB2    92 GLY  HA2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1273, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  74 LEU  HB2    92 GLY  HA2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1273, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  74 LEU  HB2    92 GLY  HA2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1273, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  74 LEU  HB2    92 GLY  HA3      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1274, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  74 LEU  HB2    92 GLY  HA3      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1274, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  74 LEU  HB2    92 GLY  HA3      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1274, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  74 LEU  HB3    74 LEU  HB2      2.87
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1021, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  74 LEU  HB3    74 LEU  QD1      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2=1026,1027,1028,
 &end
#
#  74 LEU  HB3    75 ASP  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1036, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  74 LEU  HB3    75 ASP  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1036, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  74 LEU  HB3    75 ASP  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1036, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  74 LEU  HB3    92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HB3    92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HB3    92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  74 LEU  HG     76 PRO  HD3      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1050, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  74 LEU  HG     76 PRO  HD3      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1050, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  74 LEU  HG     76 PRO  HD3      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1050, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  74 LEU  HG     91 LEU  QD1      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1261,1262,1263,
 &end
#
#  74 LEU  HG     91 LEU  QD1      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1261,1262,1263,
 &end
#
#  74 LEU  HG     91 LEU  QD1      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1261,1262,1263,
 &end
#
#  74 LEU  QD1    75 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    75 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    75 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    76 PRO  HD2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    76 PRO  HD2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    76 PRO  HD2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    76 PRO  HD3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    76 PRO  HD3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    76 PRO  HD3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    91 LEU  QD1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1026,1027,1028,
 igr2=1261,1262,1263,
 &end
#
#  74 LEU  QD1    91 LEU  QD1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1026,1027,1028,
 igr2=1261,1262,1263,
 &end
#
#  74 LEU  QD1    91 LEU  QD1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1026,1027,1028,
 igr2=1261,1262,1263,
 &end
#
#  74 LEU  QD1    91 LEU  QD2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1026,1027,1028,
 igr2=1265,1266,1267,
 &end
#
#  74 LEU  QD1    91 LEU  QD2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1026,1027,1028,
 igr2=1265,1266,1267,
 &end
#
#  74 LEU  QD1    91 LEU  QD2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1026,1027,1028,
 igr2=1265,1266,1267,
 &end
#
#  74 LEU  QD1    92 GLY  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    92 GLY  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1    92 GLY  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1   123 LYS  HE3      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1   123 LYS  HE3      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD1   123 LYS  HE3      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1=1026,1027,1028,
 &end
#
#  74 LEU  QD2    74 LEU  HG       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    74 LEU  QD1      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1030,1031,1032,
 igr2=1026,1027,1028,
 &end
#
#  74 LEU  QD2    76 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    76 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    76 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    91 LEU  QD2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1030,1031,1032,
 igr2=1265,1266,1267,
 &end
#
#  74 LEU  QD2    91 LEU  QD2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1030,1031,1032,
 igr2=1265,1266,1267,
 &end
#
#  74 LEU  QD2    91 LEU  QD2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1030,1031,1032,
 igr2=1265,1266,1267,
 &end
#
#  74 LEU  QD2    92 GLY  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    92 GLY  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    92 GLY  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    92 GLY  HA2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    92 GLY  HA2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2    92 GLY  HA2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2   123 LYS  HE2      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2   123 LYS  HE2      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2   123 LYS  HE2      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2   123 LYS  HE3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2   123 LYS  HE3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1030,1031,1032,
 &end
#
#  74 LEU  QD2   123 LYS  HE3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1030,1031,1032,
 &end
#
#  75 ASP  HN     75 ASP  HA       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1038, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  75 ASP  HN     75 ASP  HB2      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1040, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  75 ASP  HN     75 ASP  HB3      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1041, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  75 ASP  HN     76 PRO  HD2      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1049, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  75 ASP  HN     76 PRO  HD2      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1049, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  75 ASP  HN     76 PRO  HD2      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1049, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  75 ASP  HN     76 PRO  HD3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1050, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  75 ASP  HN     76 PRO  HD3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1050, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  75 ASP  HN     76 PRO  HD3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1050, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  75 ASP  HN     76 PRO  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1052, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     76 PRO  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1052, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     76 PRO  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1052, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     76 PRO  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1053, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     76 PRO  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1053, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     76 PRO  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1053, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HN     91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HA     75 ASP  HB2      5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1040, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  75 ASP  HA     75 ASP  HB3      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1041, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  75 ASP  HA     76 PRO  HD2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1049, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  75 ASP  HA     76 PRO  HD3      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1050, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  75 ASP  HA     76 PRO  HG2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1052, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  75 ASP  HA     76 PRO  HG2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1052, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  75 ASP  HA     76 PRO  HG2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1052, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  75 ASP  HA     76 PRO  HG3      5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1053, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  75 ASP  HA     76 PRO  HG3      5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1053, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  75 ASP  HA     76 PRO  HG3      5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1053, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  75 ASP  HA     77 GLN  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1062, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  75 ASP  HA     77 GLN  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1062, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  75 ASP  HA     77 GLN  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1062, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  75 ASP  HA     78 ASN  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1079, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  75 ASP  HA     78 ASN  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1079, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  75 ASP  HA     78 ASN  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1079, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  75 ASP  HA     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HA     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HA     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HA     90 HIG  HA       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1237, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  75 ASP  HA     90 HIG  HA       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1237, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  75 ASP  HA     90 HIG  HA       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1237, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  75 ASP  HA     91 LEU  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1252, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  75 ASP  HA     91 LEU  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1252, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  75 ASP  HA     91 LEU  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1252, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  75 ASP  HA     91 LEU  HB2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1256, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  75 ASP  HA     91 LEU  HB2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1256, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  75 ASP  HA     91 LEU  HB2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1256, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  75 ASP  HA     91 LEU  QD1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1261,1262,1263,
 &end
#
#  75 ASP  HA     91 LEU  QD1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1261,1262,1263,
 &end
#
#  75 ASP  HA     91 LEU  QD1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1261,1262,1263,
 &end
#
#  75 ASP  HA     92 GLY  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1271, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  75 ASP  HA     92 GLY  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1271, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  75 ASP  HA     92 GLY  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1271, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  75 ASP  HB2    76 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1050, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    76 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1050, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    76 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1050, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    77 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1062, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    77 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1062, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    77 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1062, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    78 ASN  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1079, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  75 ASP  HB2    78 ASN  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1079, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  75 ASP  HB2    78 ASN  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1079, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  75 ASP  HB2    78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    79 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1093, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    79 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1093, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    79 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1093, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB2    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  75 ASP  HB3    75 ASP  HB2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1041,1040, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  75 ASP  HB3    91 LEU  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1041,1252, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  75 ASP  HB3    91 LEU  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1041,1252, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  75 ASP  HB3    91 LEU  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1041,1252, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  76 PRO  HA     77 GLN  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1062, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 PRO  HA     77 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1074, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HA     77 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1074, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HA     77 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1074, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HA     91 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HA     91 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HA     91 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HB2    76 PRO  HA       3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1058, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  76 PRO  HB2    77 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1062, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HB2    77 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1074, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HB2    77 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1074, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HB2    77 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1074, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HB3    76 PRO  HA       3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1058, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  76 PRO  HB3    76 PRO  HB2      3.12
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1055, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  76 PRO  HB3    77 GLN  HN       5.67
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1062, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  76 PRO  HB3    77 GLN  QG       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1069,1070,
 &end
#
#  76 PRO  HB3    77 GLN  QG       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1069,1070,
 &end
#
#  76 PRO  HB3    77 GLN  QG       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1069,1070,
 &end
#
#  76 PRO  HD2    76 PRO  HB3      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1056, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  76 PRO  HD2    78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HD2    78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HD2    78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HD2    91 LEU  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1252, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  76 PRO  HD2    91 LEU  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1252, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  76 PRO  HD2    91 LEU  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1252, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  76 PRO  HD2    91 LEU  HB2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1256, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  76 PRO  HD2    91 LEU  HB2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1256, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  76 PRO  HD2    91 LEU  HB2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1256, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  76 PRO  HD2    91 LEU  QD1      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HD2    91 LEU  QD1      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HD2    91 LEU  QD1      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HD3    76 PRO  HA       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 PRO  HD3    76 PRO  HB3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1056, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  76 PRO  HD3    76 PRO  HD2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1049, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  76 PRO  HD3    76 PRO  HG2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1052, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  76 PRO  HD3    77 GLN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1062, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  76 PRO  HD3    77 GLN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1062, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  76 PRO  HD3    77 GLN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1062, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  76 PRO  HD3    78 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1088, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HD3    78 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1088, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HD3    78 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1088, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HD3    78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HD3    78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HD3    78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HD3    91 LEU  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1252, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  76 PRO  HD3    91 LEU  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1252, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  76 PRO  HD3    91 LEU  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1252, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  76 PRO  HD3    91 LEU  HB2      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1256, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  76 PRO  HD3    91 LEU  HB2      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1256, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  76 PRO  HD3    91 LEU  HB2      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1256, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  76 PRO  HD3    91 LEU  QD1      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HD3    91 LEU  QD1      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HD3    91 LEU  QD1      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HG2    77 GLN  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1062, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  76 PRO  HG2    77 GLN  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1062, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  76 PRO  HG2    77 GLN  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1062, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  76 PRO  HG2    91 LEU  QD1      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HG2    91 LEU  QD1      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HG2    91 LEU  QD1      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HG3    76 PRO  HD2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1049, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  76 PRO  HG3    77 GLN  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1062, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  76 PRO  HG3    77 GLN  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1062, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  76 PRO  HG3    77 GLN  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1062, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  76 PRO  HG3    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HG3    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HG3    91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  76 PRO  HG3    91 LEU  HB2      5.63
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1256, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  76 PRO  HG3    91 LEU  HB2      5.63
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1256, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  76 PRO  HG3    91 LEU  HB2      5.63
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1256, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  76 PRO  HG3    91 LEU  QD1      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HG3    91 LEU  QD1      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1261,1262,1263,
 &end
#
#  76 PRO  HG3    91 LEU  QD1      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1261,1262,1263,
 &end
#
#  77 GLN  HN     77 GLN  HA       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1064, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  77 GLN  HN     77 GLN  HB2      4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1066, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  77 GLN  HN     77 GLN  HB2      4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1066, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  77 GLN  HN     77 GLN  HB2      4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1066, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  77 GLN  HN     77 GLN  HB3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1067, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  77 GLN  HN     77 GLN  HB3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1067, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  77 GLN  HN     77 GLN  HB3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1067, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  77 GLN  HN     77 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1075, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  77 GLN  HN     77 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1075, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  77 GLN  HN     77 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1075, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  77 GLN  HN     77 GLN  QG       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1069,1070,
 &end
#
#  77 GLN  HN     77 GLN  QG       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1069,1070,
 &end
#
#  77 GLN  HN     77 GLN  QG       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1069,1070,
 &end
#
#  77 GLN  HN     78 ASN  HN       3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1079, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  77 GLN  HN     78 ASN  HN       3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1079, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  77 GLN  HN     78 ASN  HN       3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1079, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  77 GLN  HN     78 ASN  HA       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1081, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 GLN  HN     78 ASN  HA       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1081, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 GLN  HN     78 ASN  HA       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1081, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 GLN  HN     78 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1083, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  77 GLN  HN     78 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1083, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  77 GLN  HN     78 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1083, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  77 GLN  HN     78 ASN  HD21     4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1088, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  77 GLN  HN     78 ASN  HD21     4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1088, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  77 GLN  HN     78 ASN  HD21     4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1088, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  77 GLN  HN     79 THR  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1093, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  77 GLN  HN     79 THR  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1093, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  77 GLN  HN     79 THR  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1093, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  77 GLN  HN     91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  77 GLN  HN     91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  77 GLN  HN     91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  77 GLN  HN     91 LEU  QD1      5.90
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1261,1262,1263,
 &end
#
#  77 GLN  HN     91 LEU  QD1      5.90
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1261,1262,1263,
 &end
#
#  77 GLN  HN     91 LEU  QD1      5.90
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1261,1262,1263,
 &end
#
#  77 GLN  HA     77 GLN  HB2      3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1066, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  77 GLN  HA     77 GLN  HB3      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1067, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  77 GLN  HA     77 GLN  QG       3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1069,1070,
 &end
#
#  77 GLN  HA     77 GLN  QG       3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1069,1070,
 &end
#
#  77 GLN  HA     77 GLN  QG       3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1069,1070,
 &end
#
#  77 GLN  HA     78 ASN  HN       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1079, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  77 GLN  HA     78 ASN  HN       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1079, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  77 GLN  HA     78 ASN  HN       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1079, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  77 GLN  HA     79 THR  HN       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1093, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  77 GLN  HA     79 THR  HN       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1093, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  77 GLN  HA     79 THR  HN       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1093, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  77 GLN  HB2    77 GLN  HB3      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1067, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  77 GLN  HB2    78 ASN  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1079, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  77 GLN  HB2    78 ASN  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1079, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  77 GLN  HB2    78 ASN  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1079, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  77 GLN  HB3    77 GLN  QG       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1069,1070,
 &end
#
#  77 GLN  HB3    78 ASN  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1079, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  77 GLN  HB3    78 ASN  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1079, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  77 GLN  HB3    78 ASN  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1079, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  78 ASN  HN     78 ASN  HA       3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1081, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  78 ASN  HN     78 ASN  HA       3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1081, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  78 ASN  HN     78 ASN  HA       3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1081, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  78 ASN  HN     78 ASN  HB2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1083, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  78 ASN  HN     78 ASN  HB2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1083, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  78 ASN  HN     78 ASN  HB2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1083, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  78 ASN  HN     78 ASN  HB3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1084, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  78 ASN  HN     78 ASN  HB3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1084, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  78 ASN  HN     78 ASN  HB3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1084, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  78 ASN  HN     78 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1088, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HN     78 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1088, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HN     78 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1088, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HN     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HN     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HN     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HN     79 THR  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1093, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  78 ASN  HN     79 THR  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1093, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  78 ASN  HN     79 THR  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1093, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  78 ASN  HN     79 THR  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1095, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  78 ASN  HN     79 THR  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1095, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  78 ASN  HN     79 THR  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1095, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  78 ASN  HN     79 THR  QG2      5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1099,1100,1101,
 &end
#
#  78 ASN  HN     79 THR  QG2      5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1099,1100,1101,
 &end
#
#  78 ASN  HN     79 THR  QG2      5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1099,1100,1101,
 &end
#
#  78 ASN  HN     80 GLY  HN       5.70
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1107, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  78 ASN  HN     80 GLY  HN       5.70
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1107, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  78 ASN  HN     80 GLY  HN       5.70
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1107, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  78 ASN  HA     78 ASN  HB2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1083, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  78 ASN  HA     78 ASN  HB3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1084, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  78 ASN  HA     78 ASN  HD21     5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1088, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  78 ASN  HA     78 ASN  HD21     5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1088, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  78 ASN  HA     78 ASN  HD21     5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1088, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  78 ASN  HA     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HA     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HA     78 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HA     79 THR  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1093, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  78 ASN  HA     79 THR  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1093, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  78 ASN  HA     79 THR  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1093, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  78 ASN  HA     80 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1107, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HA     80 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1107, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HA     80 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1107, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HB2    78 ASN  HD21     4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1088, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  78 ASN  HB2    78 ASN  HD21     4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1088, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  78 ASN  HB2    78 ASN  HD21     4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1088, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  78 ASN  HB2    78 ASN  HD22     4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1089, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  78 ASN  HB2    79 THR  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1093, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  78 ASN  HB2    79 THR  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1093, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  78 ASN  HB2    79 THR  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1093, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  78 ASN  HB2    80 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1107, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HB2    80 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1107, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HB2    80 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1107, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HB3    78 ASN  HB2      2.93
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1083, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  78 ASN  HB3    78 ASN  HD21     3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1088, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  78 ASN  HB3    78 ASN  HD21     3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1088, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  78 ASN  HB3    78 ASN  HD21     3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1088, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  78 ASN  HB3    78 ASN  HD22     4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  78 ASN  HB3    79 THR  HN       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1093, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  78 ASN  HB3    79 THR  HN       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1093, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  78 ASN  HB3    79 THR  HN       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1093, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  78 ASN  HB3    79 THR  QG2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1099,1100,1101,
 &end
#
#  78 ASN  HB3    79 THR  QG2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1099,1100,1101,
 &end
#
#  78 ASN  HB3    79 THR  QG2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1099,1100,1101,
 &end
#
#  78 ASN  HB3    88 GLN  HNE2     5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1224, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  78 ASN  HB3    88 GLN  HNE2     5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1224, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  78 ASN  HB3    88 GLN  HNE2     5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1224, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  78 ASN  HB3    91 LEU  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1252, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  78 ASN  HB3    91 LEU  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1252, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  78 ASN  HB3    91 LEU  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1252, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  78 ASN  HB3    91 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1254, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HB3    91 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1254, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HB3    91 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1254, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HD21   78 ASN  HD22     2.72
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1089, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
#  78 ASN  HD21   90 HIG  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1237, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  78 ASN  HD21   90 HIG  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1237, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  78 ASN  HD21   90 HIG  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1237, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  78 ASN  HD21   91 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1259, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HD21   91 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1259, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HD21   91 LEU  HG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1259, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  78 ASN  HD21   91 LEU  QD1      5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=1261,1262,1263,
 &end
#
#  78 ASN  HD21   91 LEU  QD1      5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=1261,1262,1263,
 &end
#
#  78 ASN  HD21   91 LEU  QD1      5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=1261,1262,1263,
 &end
#
#  78 ASN  HD22   90 HIG  HA       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1237, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  78 ASN  HD22   90 HIG  HA       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1237, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  78 ASN  HD22   90 HIG  HA       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1237, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  78 ASN  HD22   91 LEU  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1252, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  78 ASN  HD22   91 LEU  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1252, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  78 ASN  HD22   91 LEU  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1252, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  78 ASN  HD22   91 LEU  QD1      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2=1261,1262,1263,
 &end
#
#  78 ASN  HD22   91 LEU  QD1      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2=1261,1262,1263,
 &end
#
#  78 ASN  HD22   91 LEU  QD1      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2=1261,1262,1263,
 &end
#
#  79 THR  HN     79 THR  HA       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1095, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  79 THR  HN     79 THR  HB       5.53
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1097, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  79 THR  HN     79 THR  QG2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1099,1100,1101,
 &end
#
#  79 THR  HN     79 THR  QG2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1099,1100,1101,
 &end
#
#  79 THR  HN     79 THR  QG2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1099,1100,1101,
 &end
#
#  79 THR  HN     80 GLY  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1107, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  79 THR  HN     80 GLY  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1107, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  79 THR  HN     80 GLY  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1107, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  79 THR  HN     80 GLY  QA       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1109,1110,
 &end
#
#  79 THR  HN     80 GLY  QA       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1109,1110,
 &end
#
#  79 THR  HN     80 GLY  QA       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1109,1110,
 &end
#
#  79 THR  HN     81 LYS  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1114, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  79 THR  HN     81 LYS  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1114, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  79 THR  HN     81 LYS  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1114, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  79 THR  HA     79 THR  HB       2.82
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1097, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  79 THR  HA     79 THR  HB       2.82
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1097, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  79 THR  HA     79 THR  HB       2.82
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1097, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  79 THR  HA     79 THR  QG2      3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1099,1100,1101,
 &end
#
#  79 THR  HA     79 THR  QG2      3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1099,1100,1101,
 &end
#
#  79 THR  HA     79 THR  QG2      3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1099,1100,1101,
 &end
#
#  79 THR  HA     80 GLY  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1107, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  79 THR  HA     81 LYS  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1125, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  79 THR  HA     81 LYS  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1125, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  79 THR  HA     81 LYS  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1125, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  79 THR  HB     79 THR  QG2      3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1099,1100,1101,
 &end
#
#  79 THR  HB     81 LYS  HD3      5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1125, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  79 THR  HB     81 LYS  HD3      5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1125, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  79 THR  HB     81 LYS  HD3      5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1125, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  79 THR  HB     89 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1228, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  79 THR  HB     89 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1228, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  79 THR  HB     89 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1228, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  79 THR  QG2    80 GLY  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    80 GLY  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    80 GLY  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    81 LYS  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    81 LYS  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    81 LYS  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    81 LYS  HG2      3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    81 LYS  HG2      3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    81 LYS  HG2      3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    88 GLN  HB3      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    88 GLN  HB3      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    88 GLN  HB3      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    88 GLN  HNE1     5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    88 GLN  HNE1     5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    88 GLN  HNE1     5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    88 GLN  HG2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    88 GLN  HG2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    88 GLN  HG2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    89 GLY  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    89 GLY  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    89 GLY  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    89 GLY  HA2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    89 GLY  HA2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    89 GLY  HA2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    89 GLY  HA3      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    89 GLY  HA3      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    89 GLY  HA3      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    90 HIG  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    90 HIG  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    90 HIG  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    90 HIG  HA       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    90 HIG  HA       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1099,1100,1101,
 &end
#
#  79 THR  QG2    90 HIG  HA       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1099,1100,1101,
 &end
#
#  80 GLY  HN     80 GLY  QA       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1109,1110,
 &end
#
#  80 GLY  HN     81 LYS  HN       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1114, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  80 GLY  HN     81 LYS  HN       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1114, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  80 GLY  HN     81 LYS  HN       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1114, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  80 GLY  HN     81 LYS  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1114, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  80 GLY  HN     81 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1116, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  80 GLY  HN     81 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1116, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  80 GLY  HN     81 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1116, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  80 GLY  HN     81 LYS  HD3      5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1125, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
#  80 GLY  HN     81 LYS  HD3      5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1125, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
#  80 GLY  HN     81 LYS  HD3      5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1125, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
#  80 GLY  HN     90 HIG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1235, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  80 GLY  HN     90 HIG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1235, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  80 GLY  HN     90 HIG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1235, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  80 GLY  HN     90 HIG  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1237, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  80 GLY  HN     90 HIG  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1237, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  80 GLY  HN     90 HIG  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1237, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  80 GLY  HA2    81 LYS  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1109,1114, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  80 GLY  QA     81 LYS  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     81 LYS  HB2      5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     81 LYS  HB2      5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     81 LYS  HB2      5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     81 LYS  HD3      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     81 LYS  HD3      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     81 LYS  HD3      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     81 LYS  HG2      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     81 LYS  HG2      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     81 LYS  HG2      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     89 GLY  HA3      5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     89 GLY  HA3      5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1109,1110,
 &end
#
#  80 GLY  QA     89 GLY  HA3      5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1109,1110,
 &end
#
#  81 LYS  HN     81 LYS  HA       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1116, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  81 LYS  HN     81 LYS  HB2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  81 LYS  HN     81 LYS  HB2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  81 LYS  HN     81 LYS  HB2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  81 LYS  HN     81 LYS  HB3      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1119, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  81 LYS  HN     81 LYS  HB3      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1119, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  81 LYS  HN     81 LYS  HB3      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1119, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  81 LYS  HN     81 LYS  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1125, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HN     81 LYS  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1125, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HN     81 LYS  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1125, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HN     81 LYS  HG2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1121, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  81 LYS  HN     81 LYS  HG2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1121, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  81 LYS  HN     81 LYS  HG2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1121, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  81 LYS  HN     82 HIF  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1136, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  81 LYS  HN     82 HIF  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1136, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  81 LYS  HN     82 HIF  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1136, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  81 LYS  HN     82 HIF  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1136, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  81 LYS  HN     82 HIF  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1138, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HN     82 HIF  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1138, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HN     82 HIF  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1138, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HN     89 GLY  HA2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1230, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  81 LYS  HN     89 GLY  HA2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1230, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  81 LYS  HN     89 GLY  HA2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1230, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  81 LYS  HN     89 GLY  HA3      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1231, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  81 LYS  HN     89 GLY  HA3      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1231, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  81 LYS  HN     89 GLY  HA3      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1231, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  81 LYS  HN     90 HIG  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1235, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  81 LYS  HN     90 HIG  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1235, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  81 LYS  HN     90 HIG  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1235, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  81 LYS  HA     81 LYS  HB3      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1119, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  81 LYS  HA     81 LYS  HG3      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1122, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  81 LYS  HA     82 HIF  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1136, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  81 LYS  HA     82 HIF  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1136, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  81 LYS  HA     82 HIF  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1136, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  81 LYS  HA     82 HIF  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1136, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  81 LYS  HA     82 HIF  QB       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2=1140,1141,
 &end
#
#  81 LYS  HA     82 HIF  QB       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2=1140,1141,
 &end
#
#  81 LYS  HA     82 HIF  QB       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2=1140,1141,
 &end
#
#  81 LYS  HB2    81 LYS  HB3      3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1119, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  81 LYS  HB2    81 LYS  HG2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1121, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  81 LYS  HB2    81 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1127,1128,
 &end
#
#  81 LYS  HB2    81 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1127,1128,
 &end
#
#  81 LYS  HB2    81 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1127,1128,
 &end
#
#  81 LYS  HB2    82 HIF  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1136, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 LYS  HB2    82 HIF  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1136, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 LYS  HB2    82 HIF  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1136, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 LYS  HB2    82 HIF  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1136, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  81 LYS  HB2    89 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1231, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HB2    89 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1231, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HB2    89 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1231, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HB3    81 LYS  HG3      3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1122, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  81 LYS  HB3    81 LYS  QE       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=1127,1128,
 &end
#
#  81 LYS  HB3    81 LYS  QE       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=1127,1128,
 &end
#
#  81 LYS  HB3    81 LYS  QE       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=1127,1128,
 &end
#
#  81 LYS  HB3    82 HIF  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1136, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  81 LYS  HB3    82 HIF  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1136, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  81 LYS  HB3    82 HIF  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1136, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  81 LYS  HB3    82 HIF  QB       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1140,1141,
 &end
#
#  81 LYS  HB3    82 HIF  QB       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1140,1141,
 &end
#
#  81 LYS  HB3    82 HIF  QB       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1140,1141,
 &end
#
#  81 LYS  HB3   136 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1923, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HB3   136 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1923, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HB3   136 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1923, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HB3   136 ASP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1925, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HB3   136 ASP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1925, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HB3   136 ASP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1925, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  81 LYS  HB3   140 PRO  HA       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1998, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  81 LYS  HB3   140 PRO  HA       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1998, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  81 LYS  HB3   140 PRO  HA       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1998, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  81 LYS  HD2    81 LYS  QE       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1127,1128,
 &end
#
#  81 LYS  HD3    81 LYS  QE       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1127,1128,
 &end
#
#  81 LYS  HG2    81 LYS  HD3      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1125, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  81 LYS  HG2    89 GLY  HA3      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1231, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  81 LYS  HG2    89 GLY  HA3      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1231, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  81 LYS  HG2    89 GLY  HA3      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1231, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  81 LYS  HG3    81 LYS  HG2      3.02
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1121, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  81 LYS  HG3    81 LYS  QE       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1127,1128,
 &end
#
#  81 LYS  HG3    81 LYS  QE       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1127,1128,
 &end
#
#  81 LYS  HG3    81 LYS  QE       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1127,1128,
 &end
#
#  81 LYS  QE    136 ASP  HA       5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1127,1128,
 &end
#
#  81 LYS  QE    136 ASP  HA       5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1127,1128,
 &end
#
#  81 LYS  QE    136 ASP  HA       5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1127,1128,
 &end
#
#  82 HIF  HN     82 HIF  HA       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1138, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  82 HIF  HN     82 HIF  QB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1140,1141,
 &end
#
#  82 HIF  HN     82 HIF  QB       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1140,1141,
 &end
#
#  82 HIF  HN     82 HIF  QB       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1140,1141,
 &end
#
#  82 HIF  HN     82 HIF  QB       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1140,1141,
 &end
#
#  82 HIF  HN     83 GLU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1153, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  82 HIF  HN     83 GLU  HN       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1153, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  82 HIF  HN     83 GLU  HN       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1153, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  82 HIF  HN     83 GLU  HN       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1153, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  82 HIF  HN     89 GLY  HA3      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1231, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  82 HIF  HN     89 GLY  HA3      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1231, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  82 HIF  HN     89 GLY  HA3      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1231, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  82 HIF  HN    141 LEU  QD1      5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=2011,2012,2013,
 &end
#
#  82 HIF  HN    141 LEU  QD1      5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=2011,2012,2013,
 &end
#
#  82 HIF  HA     83 GLU  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1153, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  82 HIF  HA     83 GLU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1153, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  82 HIF  HA     83 GLU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1153, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  82 HIF  HA     83 GLU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1153, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  82 HIF  HA     83 GLU  HA       5.59
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1155, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  82 HIF  HA     83 GLU  HA       5.59
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1155, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  82 HIF  HA     83 GLU  HA       5.59
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1155, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  82 HIF  HA     89 GLY  HA2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1230, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  82 HIF  HA     89 GLY  HA2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1230, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  82 HIF  HA     89 GLY  HA2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1230, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  82 HIF  HA     90 HIG  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1235, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  82 HIF  HA     90 HIG  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1235, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  82 HIF  HA     90 HIG  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1235, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  82 HIF  HA    141 LEU  QD1      5.97
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2=2011,2012,2013,
 &end
#
#  82 HIF  HA    141 LEU  QD1      5.97
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2=2011,2012,2013,
 &end
#
#  83 GLU  HN     83 GLU  HA       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1155, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  83 GLU  HN     83 GLU  HG2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1160, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  83 GLU  HN     83 GLU  HG2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1160, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  83 GLU  HN     83 GLU  HG2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1160, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  83 GLU  HN     83 GLU  HG3      5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1161, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  83 GLU  HN     83 GLU  HG3      5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1161, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  83 GLU  HN     83 GLU  HG3      5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1161, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  83 GLU  HN     83 GLU  QB       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1157,1158,
 &end
#
#  83 GLU  HN     84 GLY  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1168, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  83 GLU  HN     84 GLY  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1168, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  83 GLU  HN     84 GLY  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1168, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  83 GLU  HN     84 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1168, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  83 GLU  HN     84 GLY  HA2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1170, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  83 GLU  HN     84 GLY  HA2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1170, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  83 GLU  HN     84 GLY  HA2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1170, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  83 GLU  HN     87 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1207, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HN     87 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1207, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HN     87 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1207, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HN     88 GLN  HN       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1211, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  83 GLU  HN     88 GLN  HN       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1211, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  83 GLU  HN     88 GLN  HN       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1211, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  83 GLU  HN     89 GLY  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1228, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  83 GLU  HN     89 GLY  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1228, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  83 GLU  HN     89 GLY  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1228, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  83 GLU  HN     89 GLY  HA2      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1230, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  83 GLU  HN     89 GLY  HA2      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1230, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  83 GLU  HN     89 GLY  HA2      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1230, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  83 GLU  HN     90 HIG  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1235, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  83 GLU  HN     90 HIG  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1235, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  83 GLU  HN     90 HIG  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1235, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  83 GLU  HN    141 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2011,2012,2013,
 &end
#
#  83 GLU  HN    141 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2011,2012,2013,
 &end
#
#  83 GLU  HN    141 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2011,2012,2013,
 &end
#
#  83 GLU  HA     83 GLU  HG2      4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1160, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  83 GLU  HA     83 GLU  HG3      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1161, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  83 GLU  HA     83 GLU  QB       3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1157,1158,
 &end
#
#  83 GLU  HA     84 GLY  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1168, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  83 GLU  HA     84 GLY  HN       3.11
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1168, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  83 GLU  HA     84 GLY  HN       3.11
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1168, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  83 GLU  HA     84 GLY  HN       3.11
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1168, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  83 GLU  HA     84 GLY  HA2      5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1170, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  83 GLU  HA     84 GLY  HA2      5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1170, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  83 GLU  HA     84 GLY  HA2      5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1170, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  83 GLU  HA     85 PRO  QD       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1176,1177,
 &end
#
#  83 GLU  HA     85 PRO  QD       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1176,1177,
 &end
#
#  83 GLU  HA     85 PRO  QD       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1176,1177,
 &end
#
#  83 GLU  HA     87 GLY  HA3      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1207, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  83 GLU  HA     87 GLY  HA3      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1207, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  83 GLU  HA     87 GLY  HA3      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1207, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  83 GLU  HA     88 GLN  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1211, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  83 GLU  HA     88 GLN  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1211, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  83 GLU  HA     88 GLN  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1211, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  83 GLU  HA     89 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1230, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HA     89 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1230, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HA     89 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1230, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HA     89 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1231, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HA     89 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1231, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HA     89 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1231, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HA     90 HIG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1235, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HA     90 HIG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1235, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HA     90 HIG  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1235, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HB2    84 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1168, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  83 GLU  HG2    84 GLY  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1168, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  83 GLU  HG2    84 GLY  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1168, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  83 GLU  HG2    84 GLY  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1168, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  83 GLU  HG2    84 GLY  HA2      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1170, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  83 GLU  HG2    84 GLY  HA2      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1170, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  83 GLU  HG2    84 GLY  HA2      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1170, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  83 GLU  HG2    87 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1207, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HG2    87 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1207, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HG2    87 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1207, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HG2    89 GLY  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1228, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  83 GLU  HG2    89 GLY  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1228, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  83 GLU  HG2    89 GLY  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1228, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  83 GLU  HG2    89 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1230, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HG2    89 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1230, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HG2    89 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1230, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HG3    83 GLU  HG2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1160, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  83 GLU  HG3    84 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1168, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HG3    84 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1168, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HG3    84 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1168, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  83 GLU  HG3    89 GLY  HN       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1228, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  83 GLU  HG3    89 GLY  HN       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1228, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  83 GLU  HG3    89 GLY  HN       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1228, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  83 GLU  HG3    90 HIG  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1235, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  83 GLU  HG3    90 HIG  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1235, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  83 GLU  HG3    90 HIG  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1235, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  83 GLU  QB     84 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     84 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     84 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     87 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     87 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     87 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     87 GLY  HA2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     87 GLY  HA2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     87 GLY  HA2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     87 GLY  HA3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     87 GLY  HA3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     87 GLY  HA3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     88 GLN  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     88 GLN  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     88 GLN  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     89 GLY  HN       3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     89 GLY  HN       3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     89 GLY  HN       3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     89 GLY  HA2      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     89 GLY  HA2      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     89 GLY  HA2      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     90 HIG  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     90 HIG  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     90 HIG  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1157,1158,
 &end
#
#  83 GLU  QB     91 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1157,1158,
 &end
#
#  84 GLY  HN     84 GLY  HA2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1170, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  84 GLY  HN     84 GLY  HA3      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1171, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  84 GLY  HN     85 PRO  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1176,1177,
 &end
#
#  84 GLY  HN     85 PRO  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1176,1177,
 &end
#
#  84 GLY  HN     85 PRO  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1176,1177,
 &end
#
#  84 GLY  HN     86 GLU  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1189, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  84 GLY  HN     86 GLU  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1189, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  84 GLY  HN     86 GLU  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1189, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  84 GLY  HN     87 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1207, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HN     87 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1207, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HN     87 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1207, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HN     88 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1211, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HN     88 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1211, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HN     88 GLN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1211, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HN     93 ASM  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1283, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HN    133 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1883, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HN    133 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1883, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HN    133 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1883, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HN    133 ASN  HB2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1885, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  84 GLY  HN    133 ASN  HB2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1885, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  84 GLY  HN    133 ASN  HB2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1885, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  84 GLY  HA2    84 GLY  HA3      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1171, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  84 GLY  HA2    86 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1189, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HA2    86 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1189, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HA2    86 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1189, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  84 GLY  HA3    85 PRO  QD       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1176,1177,
 &end
#
#  84 GLY  HA3    85 PRO  QD       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1176,1177,
 &end
#
#  84 GLY  HA3    85 PRO  QD       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1176,1177,
 &end
#
#  84 GLY  HA3   133 ASN  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1881, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  84 GLY  HA3   133 ASN  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1881, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  84 GLY  HA3   133 ASN  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1881, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  84 GLY  HA3   133 ASN  HB2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1885, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  84 GLY  HA3   133 ASN  HB2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1885, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  84 GLY  HA3   133 ASN  HB2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1885, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  84 GLY  HA3   133 ASN  HD21     6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1890, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  84 GLY  HA3   133 ASN  HD21     6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1890, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  84 GLY  HA3   133 ASN  HD21     6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1890, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  85 PRO  HA     85 PRO  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1176,1177,
 &end
#
#  85 PRO  HA     86 GLU  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1189, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  85 PRO  HA     86 GLU  QG       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1196,1197,
 &end
#
#  85 PRO  HA     86 GLU  QG       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1196,1197,
 &end
#
#  85 PRO  HA     86 GLU  QG       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1185,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1196,1197,
 &end
#
#  85 PRO  HA    133 ASN  HD21     5.84
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1890, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  85 PRO  HA    133 ASN  HD21     5.84
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1890, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  85 PRO  HA    133 ASN  HD21     5.84
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1890, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  85 PRO  HB2    85 PRO  HA       3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1185, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  85 PRO  HB2   133 ASN  HD21     4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1890, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  85 PRO  HB2   133 ASN  HD21     4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1890, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  85 PRO  HB2   133 ASN  HD21     4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1890, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  85 PRO  HB2   133 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1891, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  85 PRO  HB2   133 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1891, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  85 PRO  HB2   133 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1891, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  85 PRO  HB3    86 GLU  QG       2.93
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1196,1197,
 &end
#
#  85 PRO  HB3    86 GLU  QG       2.93
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1196,1197,
 &end
#
#  85 PRO  HB3    86 GLU  QG       2.93
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1196,1197,
 &end
#
#  85 PRO  QD     86 GLU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=1176,1177,
 &end
#
#  85 PRO  QD     86 GLU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=1176,1177,
 &end
#
#  85 PRO  QD     86 GLU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=1176,1177,
 &end
#
#  85 PRO  QD    133 ASN  HA       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1176,1177,
 &end
#
#  85 PRO  QD    133 ASN  HA       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1176,1177,
 &end
#
#  85 PRO  QD    133 ASN  HA       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1176,1177,
 &end
#
#  85 PRO  QD    133 ASN  HD22     5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1891, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1176,1177,
 &end
#
#  85 PRO  QD    133 ASN  HD22     5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1891, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1176,1177,
 &end
#
#  85 PRO  QD    133 ASN  HD22     5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1891, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1176,1177,
 &end
#
#  85 PRO  QG     85 PRO  QD       5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1=1179,1180,
 igr2=1176,1177,
 &end
#
#  85 PRO  QG     86 GLU  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1179,1180,
 &end
#
#  85 PRO  QG     86 GLU  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1179,1180,
 &end
#
#  85 PRO  QG     86 GLU  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1179,1180,
 &end
#
#  85 PRO  QG     86 GLU  QG       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1179,1180,
 igr2=1196,1197,
 &end
#
#  85 PRO  QG     86 GLU  QG       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1179,1180,
 igr2=1196,1197,
 &end
#
#  85 PRO  QG     86 GLU  QG       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1179,1180,
 igr2=1196,1197,
 &end
#
#  85 PRO  QG     87 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1179,1180,
 &end
#
#  85 PRO  QG     87 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1179,1180,
 &end
#
#  85 PRO  QG     87 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1179,1180,
 &end
#
#  85 PRO  QG    133 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1179,1180,
 &end
#
#  85 PRO  QG    133 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1179,1180,
 &end
#
#  85 PRO  QG    133 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1179,1180,
 &end
#
#  86 GLU  HN     86 GLU  HA       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1191, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  86 GLU  HN     86 GLU  HB2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1193, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  86 GLU  HN     86 GLU  HB2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1193, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  86 GLU  HN     86 GLU  HB2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1193, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  86 GLU  HN     86 GLU  HB3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1194, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  86 GLU  HN     86 GLU  HB3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1194, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  86 GLU  HN     86 GLU  HB3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1194, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  86 GLU  HN     86 GLU  QG       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1196,1197,
 &end
#
#  86 GLU  HN     86 GLU  QG       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1196,1197,
 &end
#
#  86 GLU  HN     86 GLU  QG       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1196,1197,
 &end
#
#  86 GLU  HN     87 GLY  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  86 GLU  HN     87 GLY  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  86 GLU  HN     87 GLY  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  86 GLU  HN     87 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1204, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  86 GLU  HN     87 GLY  HA3      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1207, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  86 GLU  HN     87 GLY  HA3      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1207, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  86 GLU  HN     87 GLY  HA3      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1207, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  86 GLU  HA     86 GLU  HB2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1193, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  86 GLU  HA     86 GLU  HB3      4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1194, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  86 GLU  HA     86 GLU  QG       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1196,1197,
 &end
#
#  86 GLU  HA     86 GLU  QG       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1196,1197,
 &end
#
#  86 GLU  HA     86 GLU  QG       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1196,1197,
 &end
#
#  86 GLU  HA     87 GLY  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1204, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  86 GLU  HA     87 GLY  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1204, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  86 GLU  HB2    86 GLU  HB3      3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1193,1194, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  86 GLU  HB2    86 GLU  QG       3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1193,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1196,1197,
 &end
#
#  86 GLU  HB2    87 GLY  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1193,1204, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  86 GLU  HB2    87 GLY  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1193,1204, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  86 GLU  HB2    87 GLY  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1193,1204, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  86 GLU  HB2    87 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1193,1204, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  86 GLU  HB3    86 GLU  QG       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1196,1197,
 &end
#
#  86 GLU  HB3    86 GLU  QG       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1196,1197,
 &end
#
#  86 GLU  HB3    86 GLU  QG       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1196,1197,
 &end
#
#  86 GLU  HB3    87 GLY  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1204, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  86 GLU  HB3    87 GLY  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1204, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  86 GLU  HB3    87 GLY  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1204, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  86 GLU  QG     87 GLY  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1196,1197,
 &end
#
#  86 GLU  QG     87 GLY  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1196,1197,
 &end
#
#  86 GLU  QG     87 GLY  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1196,1197,
 &end
#
#  87 GLY  HN     87 GLY  HA2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1206, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  87 GLY  HN     87 GLY  HA3      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1207, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  87 GLY  HN     88 GLN  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1211, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  87 GLY  HN     88 GLN  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1211, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  87 GLY  HN     88 GLN  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1211, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  87 GLY  HN     88 GLN  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1211, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  87 GLY  HA2    88 GLN  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  87 GLY  HA2    88 GLN  HN       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1211, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  87 GLY  HA2    88 GLN  HN       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1211, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  87 GLY  HA2    88 GLN  HN       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1211, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  87 GLY  HA2    89 GLY  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1228, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  87 GLY  HA2    89 GLY  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1228, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  87 GLY  HA2    89 GLY  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1228, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  87 GLY  HA3    87 GLY  HA2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1206, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  87 GLY  HA3    88 GLN  HN       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1211, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  87 GLY  HA3    88 GLN  HN       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1211, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  87 GLY  HA3    88 GLN  HN       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1211, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  88 GLN  HN     88 GLN  HA       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1213, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  88 GLN  HN     88 GLN  HB2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1215, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  88 GLN  HN     88 GLN  HB2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1215, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  88 GLN  HN     88 GLN  HB2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1215, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  88 GLN  HN     88 GLN  HB3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1216, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  88 GLN  HN     88 GLN  HB3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1216, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  88 GLN  HN     88 GLN  HB3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1216, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  88 GLN  HN     88 GLN  HG3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1219, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  88 GLN  HN     88 GLN  HG3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1219, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  88 GLN  HN     88 GLN  HG3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1219, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  88 GLN  HN     89 GLY  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1228, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  88 GLN  HN     89 GLY  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1228, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  88 GLN  HN     89 GLY  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1228, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  88 GLN  HN     89 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1228, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  88 GLN  HN     89 GLY  HA3      5.70
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1231, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  88 GLN  HN     89 GLY  HA3      5.70
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1231, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  88 GLN  HN     89 GLY  HA3      5.70
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1231, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  88 GLN  HA     88 GLN  HB2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1215, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  88 GLN  HA     88 GLN  HB3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1216, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  88 GLN  HA     88 GLN  HNE1     5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1223, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  88 GLN  HA     88 GLN  HNE1     5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1223, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  88 GLN  HA     88 GLN  HNE1     5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1223, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  88 GLN  HA     88 GLN  HG3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1219, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  88 GLN  HA     88 GLN  HG3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1219, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  88 GLN  HA     88 GLN  HG3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1219, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  88 GLN  HA     89 GLY  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1228, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  88 GLN  HA     89 GLY  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1228, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  88 GLN  HB2    88 GLN  HNE2     5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1224, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  88 GLN  HB2    88 GLN  HNE2     5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1224, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  88 GLN  HB2    88 GLN  HNE2     5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1224, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  88 GLN  HB3    88 GLN  HB2      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1215, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  88 GLN  HB3    88 GLN  HG2      2.90
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1218, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  88 GLN  HB3    88 GLN  HG2      2.90
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1218, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  88 GLN  HB3    88 GLN  HG2      2.90
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1218, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  88 GLN  HB3    89 GLY  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  88 GLN  HB3    89 GLY  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  88 GLN  HB3    89 GLY  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  88 GLN  HB3    89 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  88 GLN  HNE1   88 GLN  HNE2     2.64
 &rst
  ixpk= 0, nxpk= 0, iat=1223,1224, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
#  88 GLN  HNE1   89 GLY  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1223,1228, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  88 GLN  HNE1   89 GLY  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1223,1228, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  88 GLN  HNE1   89 GLY  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1223,1228, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  88 GLN  HG2    88 GLN  HNE2     5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  88 GLN  HG3    88 GLN  HNE1     4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1223, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  88 GLN  HG3    88 GLN  HNE2     5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1224, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  89 GLY  HN     89 GLY  HA2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1230, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  89 GLY  HN     89 GLY  HA3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1231, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  89 GLY  HN     90 HIG  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  89 GLY  HN     90 HIG  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  89 GLY  HN     90 HIG  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  89 GLY  HA2    90 HIG  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1235, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  89 GLY  HA2    90 HIG  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1235, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  89 GLY  HA2    90 HIG  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1235, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  89 GLY  HA3    89 GLY  HA2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1230, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  89 GLY  HA3    90 HIG  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1235, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  89 GLY  HA3    90 HIG  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1235, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  89 GLY  HA3    90 HIG  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1235, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  90 HIG  HN     91 LEU  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1252, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  90 HIG  HN     91 LEU  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1252, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  90 HIG  HN     91 LEU  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1252, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  90 HIG  HA     91 LEU  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1252, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  90 HIG  HA     91 LEU  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1252, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  90 HIG  HA     91 LEU  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1252, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  90 HIG  HA     91 LEU  HB2      5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1256, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  90 HIG  HA     91 LEU  HB2      5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1256, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  90 HIG  HA     91 LEU  HB2      5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1256, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  90 HIG  HA     91 LEU  QD1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1261,1262,1263,
 &end
#
#  90 HIG  HA     91 LEU  QD1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1261,1262,1263,
 &end
#
#  90 HIG  HA     91 LEU  QD1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1261,1262,1263,
 &end
#
#  90 HIG  HA     92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  90 HIG  HA     92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  90 HIG  HA     92 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1271, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  91 LEU  HN     91 LEU  HA       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1254, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  91 LEU  HN     91 LEU  HB2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1256, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  91 LEU  HN     91 LEU  HB2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1256, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  91 LEU  HN     91 LEU  HB2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1256, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  91 LEU  HN     91 LEU  HB3      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1257, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  91 LEU  HN     91 LEU  HB3      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1257, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  91 LEU  HN     91 LEU  HB3      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1257, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  91 LEU  HN     91 LEU  HG       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1259, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  91 LEU  HN     91 LEU  HG       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1259, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  91 LEU  HN     91 LEU  HG       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1259, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  91 LEU  HN     91 LEU  QD1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1261,1262,1263,
 &end
#
#  91 LEU  HN     91 LEU  QD1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1261,1262,1263,
 &end
#
#  91 LEU  HN     91 LEU  QD1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1261,1262,1263,
 &end
#
#  91 LEU  HN     92 GLY  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1271, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  91 LEU  HN     92 GLY  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1271, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  91 LEU  HN     92 GLY  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1271, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  91 LEU  HA     91 LEU  HB2      3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1256, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  91 LEU  HA     91 LEU  HB3      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1257, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  91 LEU  HA     91 LEU  QD1      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1261,1262,1263,
 &end
#
#  91 LEU  HA     91 LEU  QD1      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1261,1262,1263,
 &end
#
#  91 LEU  HA     91 LEU  QD1      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1261,1262,1263,
 &end
#
#  91 LEU  HA     91 LEU  QD2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1265,1266,1267,
 &end
#
#  91 LEU  HA     91 LEU  QD2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1265,1266,1267,
 &end
#
#  91 LEU  HA     91 LEU  QD2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1265,1266,1267,
 &end
#
#  91 LEU  HA     92 GLY  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1271, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  91 LEU  HA     93 ASM  HN       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1278, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  91 LEU  HA     93 ASM  HN       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1278, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  91 LEU  HA     93 ASM  HN       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1278, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  91 LEU  HA    113 ARG  HE       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1576, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  91 LEU  HA    113 ARG  HE       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1576, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  91 LEU  HA    113 ARG  HE       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1576, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  91 LEU  HB2    91 LEU  HB3      3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1256,1257, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  91 LEU  HB2    91 LEU  QD1      3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1261,1262,1263,
 &end
#
#  91 LEU  HB2    91 LEU  QD1      3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1261,1262,1263,
 &end
#
#  91 LEU  HB2    91 LEU  QD1      3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1261,1262,1263,
 &end
#
#  91 LEU  HB2    92 GLY  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=1256,1271, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  91 LEU  HB2    92 GLY  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=1256,1271, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  91 LEU  HB2    92 GLY  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=1256,1271, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  91 LEU  HB3    91 LEU  QD2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1265,1266,1267,
 &end
#
#  91 LEU  HG     91 LEU  QD2      3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1259,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1265,1266,1267,
 &end
#
#  91 LEU  QD1    91 LEU  QD2      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1261,1262,1263,
 igr2=1265,1266,1267,
 &end
#
#  92 GLY  HN     92 GLY  HA2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1273, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  92 GLY  HN     92 GLY  HA3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1274, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  92 GLY  HN     93 ASM  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1278, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  92 GLY  HN     93 ASM  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1278, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  92 GLY  HN     93 ASM  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1278, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  92 GLY  HA2    93 ASM  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=1273,1278, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  92 GLY  HA2    94 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1299,1300,1301,
 &end
#
#  92 GLY  HA2    94 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1299,1300,1301,
 &end
#
#  92 GLY  HA2    94 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1299,1300,1301,
 &end
#
#  92 GLY  HA3    93 ASM  HN       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1278, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  92 GLY  HA3    94 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1299,1300,1301,
 &end
#
#  92 GLY  HA3    94 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1299,1300,1301,
 &end
#
#  92 GLY  HA3    94 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1299,1300,1301,
 &end
#
#  93 ASM  HN     93 ASM  HA       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1280, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  93 ASM  HN     94 LEU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1290, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  93 ASM  HN     94 LEU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1290, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  93 ASM  HN     94 LEU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1290, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  93 ASM  HN     94 LEU  QD1      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1299,1300,1301,
 &end
#
#  93 ASM  HN     94 LEU  QD1      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1299,1300,1301,
 &end
#
#  93 ASM  HN     94 LEU  QD1      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1299,1300,1301,
 &end
#
#  93 ASM  HN    113 ARG  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1567, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  93 ASM  HN    113 ARG  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1567, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  93 ASM  HN    113 ARG  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1567, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  93 ASM  HA     94 LEU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1290, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  93 ASM  HA     94 LEU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1290, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  93 ASM  HA     94 LEU  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1290, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  93 ASM  HA     94 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  93 ASM  HA     94 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  93 ASM  HA     94 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1299,1300,1301,
 &end
#
#  93 ASM  HA     94 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1299,1300,1301,
 &end
#
#  93 ASM  HA     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  93 ASM  HA     94 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HN     94 LEU  HA       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1292, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  94 LEU  HN     94 LEU  HB2      4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1294, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  94 LEU  HN     94 LEU  HB3      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1295, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  94 LEU  HN     94 LEU  HG       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1297, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  94 LEU  HN     94 LEU  HG       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1297, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  94 LEU  HN     94 LEU  HG       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1297, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  94 LEU  HN     94 LEU  QD1      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1299,1300,1301,
 &end
#
#  94 LEU  HN     94 LEU  QD1      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1299,1300,1301,
 &end
#
#  94 LEU  HN     94 LEU  QD1      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1299,1300,1301,
 &end
#
#  94 LEU  HN     94 LEU  QD2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HN     94 LEU  QD2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HN     94 LEU  QD2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HN     95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HN     95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HN     95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HN     95 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1311, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HN     95 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1311, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HN     95 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1311, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HA     94 LEU  HB2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1294, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  94 LEU  HA     94 LEU  HB3      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1295, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  94 LEU  HA     94 LEU  QD1      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1299,1300,1301,
 &end
#
#  94 LEU  HA     94 LEU  QD1      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1299,1300,1301,
 &end
#
#  94 LEU  HA     94 LEU  QD1      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1299,1300,1301,
 &end
#
#  94 LEU  HA     94 LEU  QD2      5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HA     94 LEU  QD2      5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HA     94 LEU  QD2      5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HA     95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HA     95 PRO  HD3      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1311, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  94 LEU  HA     95 PRO  HG2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1313, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  94 LEU  HA     95 PRO  HG2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1313, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  94 LEU  HA     95 PRO  HG2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1313, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  94 LEU  HA    111 ALA  QB       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2=1543,1544,1545,
 &end
#
#  94 LEU  HA    111 ALA  QB       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2=1543,1544,1545,
 &end
#
#  94 LEU  HA    111 ALA  QB       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2=1543,1544,1545,
 &end
#
#  94 LEU  HB2    94 LEU  QD1      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1299,1300,1301,
 &end
#
#  94 LEU  HB2    94 LEU  QD2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HB2    94 LEU  QD2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HB2    94 LEU  QD2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HB2    95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB2    95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB2    95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB2    95 PRO  HD3      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1311, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  94 LEU  HB2    95 PRO  HD3      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1311, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  94 LEU  HB2    95 PRO  HD3      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1311, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  94 LEU  HB2   111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1541, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB2   111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1541, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB2   111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1541, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB3    94 LEU  HB2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1294, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  94 LEU  HB3    94 LEU  QD1      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1299,1300,1301,
 &end
#
#  94 LEU  HB3    94 LEU  QD2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HB3    94 LEU  QD2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HB3    94 LEU  QD2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  HB3    95 PRO  HD2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1310, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  94 LEU  HB3    95 PRO  HD2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1310, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  94 LEU  HB3    95 PRO  HD2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1310, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  94 LEU  HB3    95 PRO  HD3      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1311, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  94 LEU  HB3    95 PRO  HD3      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1311, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  94 LEU  HB3    95 PRO  HD3      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1311, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  94 LEU  HB3    95 PRO  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1313, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB3    95 PRO  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1313, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB3    95 PRO  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1313, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB3   111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1541, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB3   111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1541, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HB3   111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1541, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  94 LEU  HG     94 LEU  QD1      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1299,1300,1301,
 &end
#
#  94 LEU  QD1    94 LEU  QD2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1299,1300,1301,
 igr2=1303,1304,1305,
 &end
#
#  94 LEU  QD1    95 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HD2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HD2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HD2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HD3      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HD3      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HD3      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1    95 PRO  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   111 ALA  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   111 ALA  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   111 ALA  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   111 ALA  QB       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1299,1300,1301,
 igr2=1543,1544,1545,
 &end
#
#  94 LEU  QD1   111 ALA  QB       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1299,1300,1301,
 igr2=1543,1544,1545,
 &end
#
#  94 LEU  QD1   111 ALA  QB       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1299,1300,1301,
 igr2=1543,1544,1545,
 &end
#
#  94 LEU  QD1   112 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   112 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   112 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   113 ARG  HN       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   113 ARG  HN       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   113 ARG  HN       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   113 ARG  HB3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   113 ARG  HB3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   113 ARG  HB3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   114 LEU  HG       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   114 LEU  HG       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   114 LEU  HG       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1299,1300,1301,
 &end
#
#  94 LEU  QD1   114 LEU  QD1      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1299,1300,1301,
 igr2=1596,1597,1598,
 &end
#
#  94 LEU  QD1   114 LEU  QD1      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1299,1300,1301,
 igr2=1596,1597,1598,
 &end
#
#  94 LEU  QD1   114 LEU  QD1      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1299,1300,1301,
 igr2=1596,1597,1598,
 &end
#
#  94 LEU  QD1   114 LEU  QD2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1299,1300,1301,
 igr2=1600,1601,1602,
 &end
#
#  94 LEU  QD1   114 LEU  QD2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1299,1300,1301,
 igr2=1600,1601,1602,
 &end
#
#  94 LEU  QD1   114 LEU  QD2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1299,1300,1301,
 igr2=1600,1601,1602,
 &end
#
#  94 LEU  QD2    94 LEU  HG       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2    95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2    95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2    95 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2    95 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2    95 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2    95 PRO  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   109 VAL  QG2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr1=1303,1304,1305,
 igr2=1519,1520,1521,
 &end
#
#  94 LEU  QD2   109 VAL  QG2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr1=1303,1304,1305,
 igr2=1519,1520,1521,
 &end
#
#  94 LEU  QD2   109 VAL  QG2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr1=1303,1304,1305,
 igr2=1519,1520,1521,
 &end
#
#  94 LEU  QD2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   111 ALA  HA       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   111 ALA  HA       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   111 ALA  HA       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   111 ALA  QB       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1=1303,1304,1305,
 igr2=1543,1544,1545,
 &end
#
#  94 LEU  QD2   111 ALA  QB       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1=1303,1304,1305,
 igr2=1543,1544,1545,
 &end
#
#  94 LEU  QD2   111 ALA  QB       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1=1303,1304,1305,
 igr2=1543,1544,1545,
 &end
#
#  94 LEU  QD2   114 LEU  QD2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=1303,1304,1305,
 igr2=1600,1601,1602,
 &end
#
#  94 LEU  QD2   114 LEU  QD2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=1303,1304,1305,
 igr2=1600,1601,1602,
 &end
#
#  94 LEU  QD2   114 LEU  QD2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=1303,1304,1305,
 igr2=1600,1601,1602,
 &end
#
#  94 LEU  QD2   125 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   125 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   125 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   125 LEU  QD1      6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
 igr1=1303,1304,1305,
 igr2=1776,1777,1778,
 &end
#
#  94 LEU  QD2   125 LEU  QD1      6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
 igr1=1303,1304,1305,
 igr2=1776,1777,1778,
 &end
#
#  94 LEU  QD2   125 LEU  QD1      6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
 igr1=1303,1304,1305,
 igr2=1776,1777,1778,
 &end
#
#  94 LEU  QD2   125 LEU  QD2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1303,1304,1305,
 igr2=1780,1781,1782,
 &end
#
#  94 LEU  QD2   125 LEU  QD2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1303,1304,1305,
 igr2=1780,1781,1782,
 &end
#
#  94 LEU  QD2   125 LEU  QD2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1303,1304,1305,
 igr2=1780,1781,1782,
 &end
#
#  94 LEU  QD2   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  94 LEU  QD2   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1303,1304,1305,
 &end
#
#  95 PRO  HA     95 PRO  HB2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1319,1316, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  95 PRO  HA     96 VAL  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1319,1323, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  95 PRO  HA     96 VAL  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1319,1323, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  95 PRO  HA     96 VAL  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1319,1323, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  95 PRO  HB2    95 PRO  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1317, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  95 PRO  HB2    96 VAL  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1323, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  95 PRO  HB2    96 VAL  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1323, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  95 PRO  HB2    96 VAL  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1323, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  95 PRO  HB2    96 VAL  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1325, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  95 PRO  HB2    96 VAL  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1325, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  95 PRO  HB2    96 VAL  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1325, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  95 PRO  HB2   109 VAL  QG1      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HB2   109 VAL  QG1      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HB2   109 VAL  QG1      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HB2   110 THR  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1525, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  95 PRO  HB2   110 THR  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1525, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  95 PRO  HB2   110 THR  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1525, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  95 PRO  HB3    95 PRO  HA       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1319, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  95 PRO  HB3    96 VAL  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1323, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  95 PRO  HB3    96 VAL  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1323, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  95 PRO  HB3    96 VAL  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1323, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  95 PRO  HB3   109 VAL  HA       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  95 PRO  HB3   109 VAL  HA       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  95 PRO  HB3   109 VAL  HA       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  95 PRO  HB3   110 THR  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1525, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  95 PRO  HB3   110 THR  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1525, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  95 PRO  HB3   110 THR  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1525, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  95 PRO  HD2    95 PRO  HA       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1319, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  95 PRO  HD2    95 PRO  HD3      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1311, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  95 PRO  HD2    95 PRO  HG2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1313, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  95 PRO  HD2    96 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1323, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2    96 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1323, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2    96 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1323, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2   109 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2   109 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2   109 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2   109 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HD2   109 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HD2   109 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HD2   110 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1525, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2   110 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1525, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2   110 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1525, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2   111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1541, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2   111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1541, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2   111 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1541, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD2   111 ALA  QB       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2=1543,1544,1545,
 &end
#
#  95 PRO  HD2   111 ALA  QB       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2=1543,1544,1545,
 &end
#
#  95 PRO  HD2   111 ALA  QB       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2=1543,1544,1545,
 &end
#
#  95 PRO  HD3    95 PRO  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1316, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HD3    95 PRO  HB3      5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1317, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  95 PRO  HD3    95 PRO  HG2      6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1313, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  95 PRO  HD3   109 VAL  HB       5.88
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1513, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  95 PRO  HD3   109 VAL  HB       5.88
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1513, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  95 PRO  HD3   109 VAL  HB       5.88
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1513, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  95 PRO  HD3   109 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HD3   109 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HD3   109 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HD3   109 VAL  QG2      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2=1519,1520,1521,
 &end
#
#  95 PRO  HD3   109 VAL  QG2      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2=1519,1520,1521,
 &end
#
#  95 PRO  HD3   109 VAL  QG2      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2=1519,1520,1521,
 &end
#
#  95 PRO  HD3   110 THR  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1525, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  95 PRO  HD3   110 THR  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1525, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  95 PRO  HD3   110 THR  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1525, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  95 PRO  HD3   113 ARG  HN       5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1563, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  95 PRO  HD3   113 ARG  HN       5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1563, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  95 PRO  HD3   113 ARG  HN       5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1563, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  95 PRO  HG2   109 VAL  HB       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1513, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  95 PRO  HG2   109 VAL  HB       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1513, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  95 PRO  HG2   109 VAL  HB       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1513, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  95 PRO  HG2   109 VAL  QG2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1519,1520,1521,
 &end
#
#  95 PRO  HG2   109 VAL  QG2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1519,1520,1521,
 &end
#
#  95 PRO  HG2   109 VAL  QG2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1519,1520,1521,
 &end
#
#  95 PRO  HG2   110 THR  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1525, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  95 PRO  HG2   110 THR  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1525, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  95 PRO  HG2   110 THR  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1525, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  95 PRO  HG2   110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HG2   110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HG2   110 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  95 PRO  HG3    95 PRO  HB2      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1316, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  95 PRO  HG3    95 PRO  HD3      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1311, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  95 PRO  HG3    96 VAL  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1323, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  95 PRO  HG3    96 VAL  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1323, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  95 PRO  HG3    96 VAL  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1323, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  95 PRO  HG3   109 VAL  QG1      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HG3   109 VAL  QG1      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HG3   109 VAL  QG1      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1515,1516,1517,
 &end
#
#  95 PRO  HG3   110 THR  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1525, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  95 PRO  HG3   110 THR  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1525, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  95 PRO  HG3   110 THR  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1525, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  96 VAL  HN     96 VAL  HA       4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1325, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  96 VAL  HN     96 VAL  HB       4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1327, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  96 VAL  HN     96 VAL  HB       4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1327, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  96 VAL  HN     96 VAL  HB       4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1327, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  96 VAL  HN     96 VAL  QG1      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1329,1330,1331,
 &end
#
#  96 VAL  HN     96 VAL  QG1      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1329,1330,1331,
 &end
#
#  96 VAL  HN     96 VAL  QG1      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1329,1330,1331,
 &end
#
#  96 VAL  HN     96 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1333,1334,1335,
 &end
#
#  96 VAL  HN     96 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1333,1334,1335,
 &end
#
#  96 VAL  HN     96 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1333,1334,1335,
 &end
#
#  96 VAL  HN     97 LEU  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1339, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  96 VAL  HN     97 LEU  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1339, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  96 VAL  HN     97 LEU  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1339, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  96 VAL  HN    132 ASP  HB3      6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1874, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  96 VAL  HN    132 ASP  HB3      6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1874, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  96 VAL  HN    132 ASP  HB3      6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1874, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  96 VAL  HA     96 VAL  HB       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1327, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  96 VAL  HA     96 VAL  QG1      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=1329,1330,1331,
 &end
#
#  96 VAL  HA     96 VAL  QG1      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=1329,1330,1331,
 &end
#
#  96 VAL  HA     96 VAL  QG1      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=1329,1330,1331,
 &end
#
#  96 VAL  HA     96 VAL  QG2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1333,1334,1335,
 &end
#
#  96 VAL  HA     96 VAL  QG2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1333,1334,1335,
 &end
#
#  96 VAL  HA     96 VAL  QG2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1333,1334,1335,
 &end
#
#  96 VAL  HA     97 LEU  HN       3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1339, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  96 VAL  HA     97 LEU  HN       3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1339, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  96 VAL  HA     97 LEU  HN       3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1339, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  96 VAL  HA     97 LEU  HB2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1343, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  96 VAL  HA     97 LEU  HB2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1343, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  96 VAL  HA     97 LEU  HB2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1343, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  96 VAL  HA     97 LEU  HB3      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1344, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  96 VAL  HA     97 LEU  HB3      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1344, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  96 VAL  HA     97 LEU  HB3      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1344, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  96 VAL  HA    132 ASP  HA       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1871, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  96 VAL  HA    132 ASP  HA       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1871, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  96 VAL  HA    132 ASP  HA       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1871, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  96 VAL  HB     96 VAL  QG1      3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1329,1330,1331,
 &end
#
#  96 VAL  HB     96 VAL  QG2      3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1333,1334,1335,
 &end
#
#  96 VAL  HB     97 LEU  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1339, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  96 VAL  HB     97 LEU  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1339, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  96 VAL  HB     97 LEU  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1339, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  96 VAL  HB     97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  96 VAL  HB     97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  96 VAL  HB     97 LEU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1343, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  96 VAL  HB     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1344, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  96 VAL  HB     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1344, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  96 VAL  HB     97 LEU  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1344, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  96 VAL  QG1    97 LEU  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1    97 LEU  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1    97 LEU  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1    98 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1    98 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1    98 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1   132 ASP  HB2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1   132 ASP  HB2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1   132 ASP  HB2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1   133 ASN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1   133 ASN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG1   133 ASN  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1329,1330,1331,
 &end
#
#  96 VAL  QG2    96 VAL  QG1      3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1333,1334,1335,
 igr2=1329,1330,1331,
 &end
#
#  96 VAL  QG2    97 LEU  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2    97 LEU  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2    97 LEU  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2    98 VAL  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2    98 VAL  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2    98 VAL  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2    98 VAL  QG1      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1333,1334,1335,
 igr2=1364,1365,1366,
 &end
#
#  96 VAL  QG2    98 VAL  QG1      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1333,1334,1335,
 igr2=1364,1365,1366,
 &end
#
#  96 VAL  QG2    98 VAL  QG1      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1333,1334,1335,
 igr2=1364,1365,1366,
 &end
#
#  96 VAL  QG2   132 ASP  HB2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2   132 ASP  HB2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2   132 ASP  HB2      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2   132 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1874, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2   132 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1874, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1333,1334,1335,
 &end
#
#  96 VAL  QG2   132 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1874, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1333,1334,1335,
 &end
#
#  97 LEU  HN     97 LEU  HB2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1343, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  97 LEU  HN     97 LEU  HB2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1343, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  97 LEU  HN     97 LEU  HB2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1343, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  97 LEU  HN     97 LEU  HB3      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1344, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  97 LEU  HN     97 LEU  HB3      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1344, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  97 LEU  HN     97 LEU  HB3      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1344, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  97 LEU  HN     97 LEU  QD1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1348,1349,1350,
 &end
#
#  97 LEU  HN     97 LEU  QD1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1348,1349,1350,
 &end
#
#  97 LEU  HN     97 LEU  QD1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1348,1349,1350,
 &end
#
#  97 LEU  HN    127 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1809,1810,1811,
 &end
#
#  97 LEU  HN    127 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1809,1810,1811,
 &end
#
#  97 LEU  HN    127 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1809,1810,1811,
 &end
#
#  97 LEU  HA     97 LEU  HB2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1343, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  97 LEU  HA     97 LEU  HB3      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1344, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  97 LEU  HA     97 LEU  HG       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1346, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  97 LEU  HA     97 LEU  QD1      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1348,1349,1350,
 &end
#
#  97 LEU  HA     97 LEU  QD1      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1348,1349,1350,
 &end
#
#  97 LEU  HA     97 LEU  QD1      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1348,1349,1350,
 &end
#
#  97 LEU  HA     97 LEU  QD2      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1352,1353,1354,
 &end
#
#  97 LEU  HA     97 LEU  QD2      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1352,1353,1354,
 &end
#
#  97 LEU  HA     97 LEU  QD2      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1352,1353,1354,
 &end
#
#  97 LEU  HA     98 VAL  HN       3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1358, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  97 LEU  HA     98 VAL  HN       3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1358, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  97 LEU  HA     98 VAL  HN       3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1358, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  97 LEU  HB2    97 LEU  QD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1352,1353,1354,
 &end
#
#  97 LEU  HB2    97 LEU  QD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1352,1353,1354,
 &end
#
#  97 LEU  HB2    97 LEU  QD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1352,1353,1354,
 &end
#
#  97 LEU  HB2    98 VAL  HN       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1343,1358, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  97 LEU  HB2    98 VAL  HN       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1343,1358, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  97 LEU  HB2    98 VAL  HN       5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1343,1358, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  97 LEU  HB3    97 LEU  HB2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1343, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  97 LEU  HB3    97 LEU  HG       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1346, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  97 LEU  HB3    97 LEU  QD2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1352,1353,1354,
 &end
#
#  97 LEU  HB3    97 LEU  QD2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1352,1353,1354,
 &end
#
#  97 LEU  HB3    97 LEU  QD2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1352,1353,1354,
 &end
#
#  97 LEU  HB3    98 VAL  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1358, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  97 LEU  HB3    98 VAL  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1358, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  97 LEU  HB3    98 VAL  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1358, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  97 LEU  HG     97 LEU  QD2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1346,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1352,1353,1354,
 &end
#
#  97 LEU  QD1    97 LEU  HG       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1346, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    98 VAL  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    98 VAL  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    98 VAL  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    98 VAL  HA       5.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    98 VAL  HA       5.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    98 VAL  HA       5.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    98 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    98 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    98 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    99 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    99 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    99 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    99 VAL  HA       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1376, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    99 VAL  HA       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1376, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1    99 VAL  HA       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1376, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   105 ALA  HA       5.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   105 ALA  HA       5.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   105 ALA  HA       5.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   105 ALA  QB       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1348,1349,1350,
 igr2=1460,1461,1462,
 &end
#
#  97 LEU  QD1   105 ALA  QB       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1348,1349,1350,
 igr2=1460,1461,1462,
 &end
#
#  97 LEU  QD1   105 ALA  QB       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1348,1349,1350,
 igr2=1460,1461,1462,
 &end
#
#  97 LEU  QD1   106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HB2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HB2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HB2      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HB3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HB3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HB3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1487, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1487, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1487, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1488, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1488, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   107 GLU  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1488, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD1   109 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1348,1349,1350,
 &end
#
#  97 LEU  QD2    97 LEU  QD1      3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1352,1353,1354,
 igr2=1348,1349,1350,
 &end
#
#  97 LEU  QD2   127 ILE  HA       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1805, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1=1352,1353,1354,
 &end
#
#  97 LEU  QD2   127 ILE  HA       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1805, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1=1352,1353,1354,
 &end
#
#  97 LEU  QD2   127 ILE  HA       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1805, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1=1352,1353,1354,
 &end
#
#  97 LEU  QD2   127 ILE  HB       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1352,1353,1354,
 &end
#
#  97 LEU  QD2   127 ILE  HB       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1352,1353,1354,
 &end
#
#  97 LEU  QD2   127 ILE  HB       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1352,1353,1354,
 &end
#
#  97 LEU  QD2   127 ILE  QD1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1352,1353,1354,
 igr2=1816,1817,1818,
 &end
#
#  97 LEU  QD2   127 ILE  QD1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1352,1353,1354,
 igr2=1816,1817,1818,
 &end
#
#  97 LEU  QD2   127 ILE  QD1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1352,1353,1354,
 igr2=1816,1817,1818,
 &end
#
#  97 LEU  QD2   127 ILE  QG2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1352,1353,1354,
 igr2=1809,1810,1811,
 &end
#
#  97 LEU  QD2   127 ILE  QG2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1352,1353,1354,
 igr2=1809,1810,1811,
 &end
#
#  97 LEU  QD2   127 ILE  QG2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1352,1353,1354,
 igr2=1809,1810,1811,
 &end
#
#  98 VAL  HN     98 VAL  HA       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1360, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  98 VAL  HN     98 VAL  HB       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1362, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  98 VAL  HN     98 VAL  HB       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1362, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  98 VAL  HN     98 VAL  HB       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1362, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  98 VAL  HN     98 VAL  QG1      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1364,1365,1366,
 &end
#
#  98 VAL  HN     98 VAL  QG1      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1364,1365,1366,
 &end
#
#  98 VAL  HN     98 VAL  QG1      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1364,1365,1366,
 &end
#
#  98 VAL  HN     98 VAL  QG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1368,1369,1370,
 &end
#
#  98 VAL  HN     98 VAL  QG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1368,1369,1370,
 &end
#
#  98 VAL  HN     98 VAL  QG2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1368,1369,1370,
 &end
#
#  98 VAL  HN     99 VAL  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1374, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  98 VAL  HN     99 VAL  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1374, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  98 VAL  HN     99 VAL  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1374, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  98 VAL  HN     99 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1380,1381,1382,
 &end
#
#  98 VAL  HN     99 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1380,1381,1382,
 &end
#
#  98 VAL  HN     99 VAL  QG1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1380,1381,1382,
 &end
#
#  98 VAL  HN    105 ALA  QB       5.97
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2=1460,1461,1462,
 &end
#
#  98 VAL  HN    105 ALA  QB       5.97
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2=1460,1461,1462,
 &end
#
#  98 VAL  HN    105 ALA  QB       5.97
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2=1460,1461,1462,
 &end
#
#  98 VAL  HN    107 GLU  HB2      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  98 VAL  HN    107 GLU  HB2      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  98 VAL  HN    107 GLU  HB2      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  98 VAL  HA     98 VAL  HB       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1362, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  98 VAL  HA     98 VAL  QG1      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1364,1365,1366,
 &end
#
#  98 VAL  HA     98 VAL  QG1      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1364,1365,1366,
 &end
#
#  98 VAL  HA     98 VAL  QG1      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1364,1365,1366,
 &end
#
#  98 VAL  HA     98 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1368,1369,1370,
 &end
#
#  98 VAL  HA     98 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1368,1369,1370,
 &end
#
#  98 VAL  HA     98 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1368,1369,1370,
 &end
#
#  98 VAL  HA     99 VAL  HN       3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1374, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  98 VAL  HA     99 VAL  HN       3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1374, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  98 VAL  HA     99 VAL  HN       3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1374, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  98 VAL  HB     98 VAL  QG2      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1362,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1368,1369,1370,
 &end
#
#  98 VAL  HB     99 VAL  HN       6.04
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1374, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  98 VAL  HB     99 VAL  HN       6.04
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1374, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  98 VAL  HB     99 VAL  HN       6.04
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1374, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  98 VAL  HB    107 GLU  HN       5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1480, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  98 VAL  HB    107 GLU  HN       5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1480, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  98 VAL  HB    107 GLU  HN       5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1480, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  98 VAL  QG1    98 VAL  QG2      3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1364,1365,1366,
 igr2=1368,1369,1370,
 &end
#
#  98 VAL  QG1    99 VAL  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1364,1365,1366,
 &end
#
#  98 VAL  QG1    99 VAL  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1364,1365,1366,
 &end
#
#  98 VAL  QG1    99 VAL  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1364,1365,1366,
 &end
#
#  98 VAL  QG2    99 VAL  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1368,1369,1370,
 &end
#
#  98 VAL  QG2    99 VAL  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1368,1369,1370,
 &end
#
#  98 VAL  QG2    99 VAL  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1368,1369,1370,
 &end
#
#  98 VAL  QG2   100 ASN  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1368,1369,1370,
 &end
#
#  98 VAL  QG2   100 ASN  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1368,1369,1370,
 &end
#
#  98 VAL  QG2   100 ASN  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1368,1369,1370,
 &end
#
#  99 VAL  HN     99 VAL  HB       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  99 VAL  HN     99 VAL  HB       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  99 VAL  HN     99 VAL  HB       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  99 VAL  HN     99 VAL  QG1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1380,1381,1382,
 &end
#
#  99 VAL  HN     99 VAL  QG1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1380,1381,1382,
 &end
#
#  99 VAL  HN     99 VAL  QG1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1380,1381,1382,
 &end
#
#  99 VAL  HN     99 VAL  QG2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1384,1385,1386,
 &end
#
#  99 VAL  HN     99 VAL  QG2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1384,1385,1386,
 &end
#
#  99 VAL  HN     99 VAL  QG2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1384,1385,1386,
 &end
#
#  99 VAL  HN    105 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  HN    105 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  HN    105 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  HN    107 GLU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1374,1484, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HN    107 GLU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1374,1484, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HN    107 GLU  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1374,1484, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA     99 VAL  HB       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1378, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  99 VAL  HA     99 VAL  QG1      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1380,1381,1382,
 &end
#
#  99 VAL  HA     99 VAL  QG1      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1380,1381,1382,
 &end
#
#  99 VAL  HA     99 VAL  QG1      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1380,1381,1382,
 &end
#
#  99 VAL  HA     99 VAL  QG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1384,1385,1386,
 &end
#
#  99 VAL  HA     99 VAL  QG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1384,1385,1386,
 &end
#
#  99 VAL  HA     99 VAL  QG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1384,1385,1386,
 &end
#
#  99 VAL  HA    100 ASN  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1390, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  99 VAL  HA    100 ASN  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1390, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  99 VAL  HA    100 ASN  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1390, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  99 VAL  HA    100 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1392, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    100 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1392, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    100 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1392, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    100 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1394, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    100 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1394, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    100 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1394, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    100 ASN  HB3      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1395, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  99 VAL  HA    100 ASN  HB3      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1395, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  99 VAL  HA    100 ASN  HB3      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1395, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  99 VAL  HA    104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1456, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1456, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1456, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  99 VAL  HA    105 ALA  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1458, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  99 VAL  HA    105 ALA  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1458, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  99 VAL  HA    105 ALA  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1458, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  99 VAL  HA    105 ALA  QB       3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  HA    105 ALA  QB       3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  HA    105 ALA  QB       3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  HA    106 THR  HN       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1466, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  99 VAL  HA    106 THR  HN       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1466, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  99 VAL  HA    106 THR  HN       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1466, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  99 VAL  HB     99 VAL  QG1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1380,1381,1382,
 &end
#
#  99 VAL  HB    100 ASN  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1390, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  99 VAL  HB    100 ASN  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1390, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  99 VAL  HB    100 ASN  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1390, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  99 VAL  QG1    99 VAL  QG2      3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1380,1381,1382,
 igr2=1384,1385,1386,
 &end
#
#  99 VAL  QG1   100 ASN  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1380,1381,1382,
 &end
#
#  99 VAL  QG1   100 ASN  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1380,1381,1382,
 &end
#
#  99 VAL  QG1   100 ASN  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1380,1381,1382,
 &end
#
#  99 VAL  QG1   105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1380,1381,1382,
 &end
#
#  99 VAL  QG1   105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1380,1381,1382,
 &end
#
#  99 VAL  QG1   105 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1380,1381,1382,
 &end
#
#  99 VAL  QG1   105 ALA  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1380,1381,1382,
 &end
#
#  99 VAL  QG1   105 ALA  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1380,1381,1382,
 &end
#
#  99 VAL  QG1   105 ALA  HA       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1380,1381,1382,
 &end
#
#  99 VAL  QG1   105 ALA  QB       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1380,1381,1382,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  QG1   105 ALA  QB       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1380,1381,1382,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  QG1   105 ALA  QB       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1380,1381,1382,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  QG2    99 VAL  HB       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   100 ASN  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   100 ASN  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   100 ASN  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   100 ASN  HA       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1392, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   100 ASN  HA       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1392, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   100 ASN  HA       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1392, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   100 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1394, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   100 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1394, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   100 ASN  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1394, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   102 ASP  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1418, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   102 ASP  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1418, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   102 ASP  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1418, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   103 GLY  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   103 GLY  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   103 GLY  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   103 GLY  HA2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1432, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   103 GLY  HA2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1432, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   103 GLY  HA2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1432, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   103 GLY  HA3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   103 GLY  HA3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   103 GLY  HA3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   104 ILE  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   104 ILE  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   104 ILE  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   104 ILE  HA       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   104 ILE  HA       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   104 ILE  HA       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   105 ALA  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   105 ALA  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   105 ALA  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   105 ALA  QB       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1384,1385,1386,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  QG2   105 ALA  QB       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1384,1385,1386,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  QG2   105 ALA  QB       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1384,1385,1386,
 igr2=1460,1461,1462,
 &end
#
#  99 VAL  QG2   106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1384,1385,1386,
 &end
#
#  99 VAL  QG2   106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1384,1385,1386,
 &end
#
# 100 ASN  HN    100 ASN  HA       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1392, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 100 ASN  HN    100 ASN  HB2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1394, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 100 ASN  HN    100 ASN  HB3      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1395, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 100 ASN  HN    100 ASN  HB3      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1395, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 100 ASN  HN    100 ASN  HB3      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1395, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 100 ASN  HN    100 ASN  HD21     5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1399, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 100 ASN  HN    100 ASN  HD21     5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1399, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 100 ASN  HN    100 ASN  HD21     5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1399, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 100 ASN  HN    100 ASN  HD22     5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1400, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 100 ASN  HN    100 ASN  HD22     5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1400, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 100 ASN  HN    100 ASN  HD22     5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1400, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 100 ASN  HN    101 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HN    101 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HN    101 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HN    103 GLY  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1430, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 100 ASN  HN    103 GLY  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1430, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 100 ASN  HN    103 GLY  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1430, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 100 ASN  HN    104 ILE  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1437, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 100 ASN  HN    104 ILE  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1437, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 100 ASN  HN    104 ILE  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1437, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 100 ASN  HN    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HN    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HN    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HN    104 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1443,1444,1445,
 &end
#
# 100 ASN  HN    104 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1443,1444,1445,
 &end
#
# 100 ASN  HN    104 ILE  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1443,1444,1445,
 &end
#
# 100 ASN  HN    105 ALA  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1456, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 100 ASN  HN    105 ALA  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1456, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 100 ASN  HN    105 ALA  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1456, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 100 ASN  HN    105 ALA  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1458, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 100 ASN  HN    105 ALA  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1458, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 100 ASN  HN    105 ALA  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1458, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 100 ASN  HN    105 ALA  QB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1460,1461,1462,
 &end
#
# 100 ASN  HN    105 ALA  QB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1460,1461,1462,
 &end
#
# 100 ASN  HN    105 ALA  QB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1460,1461,1462,
 &end
#
# 100 ASN  HN    106 THR  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1466, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 100 ASN  HN    106 THR  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1466, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 100 ASN  HN    106 THR  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1466, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 100 ASN  HN    106 THR  QG2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HN    106 THR  QG2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HN    106 THR  QG2      5.93
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HA    100 ASN  HB2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1394, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 100 ASN  HA    100 ASN  HB3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1395, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 100 ASN  HA    100 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1400, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HA    100 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1400, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HA    100 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1400, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HA    101 ASN  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1404, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 100 ASN  HA    101 ASN  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1404, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 100 ASN  HA    101 ASN  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1404, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 100 ASN  HA    101 ASN  HB3      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1409, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 100 ASN  HA    101 ASN  HB3      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1409, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 100 ASN  HA    101 ASN  HB3      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1409, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 100 ASN  HA    101 ASN  HD21     5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1413, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 100 ASN  HA    101 ASN  HD21     5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1413, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 100 ASN  HA    101 ASN  HD21     5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1413, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 100 ASN  HA    102 ASP  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1418, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 100 ASN  HA    102 ASP  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1418, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 100 ASN  HA    102 ASP  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1418, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 100 ASN  HA    106 THR  QG2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1392,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HA    106 THR  QG2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1392,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HA    106 THR  QG2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1392,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HB2   100 ASN  HD21     4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1399, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 100 ASN  HB2   100 ASN  HD22     5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 100 ASN  HB2   101 ASN  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1404, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 100 ASN  HB2   101 ASN  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1404, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 100 ASN  HB2   101 ASN  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1404, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 100 ASN  HB2   101 ASN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1409, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HB2   101 ASN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1409, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HB2   101 ASN  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1409, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HB2   101 ASN  HD21     4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1413, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 100 ASN  HB2   101 ASN  HD21     4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1413, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 100 ASN  HB2   101 ASN  HD21     4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1413, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 100 ASN  HB2   102 ASP  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1418, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 100 ASN  HB2   102 ASP  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1418, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 100 ASN  HB2   102 ASP  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1418, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 100 ASN  HB2   104 ILE  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1437, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
# 100 ASN  HB2   104 ILE  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1437, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
# 100 ASN  HB2   104 ILE  HN       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1437, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
# 100 ASN  HB2   104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HB2   104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HB2   104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HB3   100 ASN  HB2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1394, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 100 ASN  HB3   100 ASN  HD21     4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1399, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 100 ASN  HB3   100 ASN  HD21     4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1399, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 100 ASN  HB3   100 ASN  HD21     4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1399, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 100 ASN  HB3   100 ASN  HD22     4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1400, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 100 ASN  HB3   101 ASN  HN       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1404, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 100 ASN  HB3   101 ASN  HN       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1404, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 100 ASN  HB3   101 ASN  HN       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1404, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 100 ASN  HB3   101 ASN  HD21     4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1413, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 100 ASN  HB3   101 ASN  HD21     4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1413, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 100 ASN  HB3   101 ASN  HD21     4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1413, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 100 ASN  HB3   101 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1414, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HB3   101 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1414, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HB3   101 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1414, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HB3   102 ASP  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1418, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 100 ASN  HB3   102 ASP  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1418, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 100 ASN  HB3   102 ASP  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1418, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 100 ASN  HB3   104 ILE  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1437, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 100 ASN  HB3   104 ILE  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1437, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 100 ASN  HB3   104 ILE  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1437, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 100 ASN  HB3   106 THR  QG2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HB3   106 THR  QG2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HB3   106 THR  QG2      5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HD21  100 ASN  HD22     3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1400, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 100 ASN  HD21  101 ASN  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1404, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 100 ASN  HD21  101 ASN  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1404, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 100 ASN  HD21  101 ASN  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1404, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 100 ASN  HD21  102 ASP  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1418, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 100 ASN  HD21  102 ASP  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1418, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 100 ASN  HD21  102 ASP  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1418, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 100 ASN  HD21  103 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD21  103 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD21  103 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD21  104 ILE  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1437, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 100 ASN  HD21  104 ILE  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1437, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 100 ASN  HD21  104 ILE  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1437, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 100 ASN  HD21  104 ILE  HA       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1439, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 100 ASN  HD21  104 ILE  HA       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1439, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 100 ASN  HD21  104 ILE  HA       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1439, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 100 ASN  HD21  104 ILE  HB       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1441, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 100 ASN  HD21  104 ILE  HB       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1441, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 100 ASN  HD21  104 ILE  HB       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1441, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 100 ASN  HD21  104 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1447, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD21  104 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1447, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD21  104 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1447, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD21  104 ILE  HG13     5.90
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1448, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 100 ASN  HD21  104 ILE  HG13     5.90
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1448, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 100 ASN  HD21  104 ILE  HG13     5.90
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1448, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 100 ASN  HD21  104 ILE  QG2      5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1443,1444,1445,
 &end
#
# 100 ASN  HD21  104 ILE  QG2      5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1443,1444,1445,
 &end
#
# 100 ASN  HD21  104 ILE  QG2      5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1443,1444,1445,
 &end
#
# 100 ASN  HD21  106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1466, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD21  106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1466, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD21  106 THR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1466, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD21  106 THR  QG2      5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HD21  106 THR  QG2      5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HD21  106 THR  QG2      5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HD22  101 ASN  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 100 ASN  HD22  101 ASN  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 100 ASN  HD22  101 ASN  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 100 ASN  HD22  101 ASN  HD21     4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1413, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 100 ASN  HD22  101 ASN  HD21     4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1413, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 100 ASN  HD22  101 ASN  HD21     4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1413, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 100 ASN  HD22  102 ASP  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1418, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 100 ASN  HD22  102 ASP  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1418, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 100 ASN  HD22  102 ASP  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1418, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 100 ASN  HD22  102 ASP  HA       3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1420, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 100 ASN  HD22  102 ASP  HA       3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1420, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 100 ASN  HD22  102 ASP  HA       3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1420, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 100 ASN  HD22  102 ASP  HB3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1423, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 100 ASN  HD22  102 ASP  HB3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1423, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 100 ASN  HD22  102 ASP  HB3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1423, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 100 ASN  HD22  103 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD22  103 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD22  103 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD22  104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD22  104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD22  104 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1437, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD22  104 ILE  HB       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1441, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 100 ASN  HD22  104 ILE  HB       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1441, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 100 ASN  HD22  104 ILE  HB       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1441, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 100 ASN  HD22  104 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1447, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD22  104 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1447, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD22  104 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1447, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 100 ASN  HD22  104 ILE  QD1      5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=1450,1451,1452,
 &end
#
# 100 ASN  HD22  104 ILE  QD1      5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=1450,1451,1452,
 &end
#
# 100 ASN  HD22  104 ILE  QD1      5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=1450,1451,1452,
 &end
#
# 100 ASN  HD22  104 ILE  QG2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1443,1444,1445,
 &end
#
# 100 ASN  HD22  104 ILE  QG2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1443,1444,1445,
 &end
#
# 100 ASN  HD22  104 ILE  QG2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1443,1444,1445,
 &end
#
# 100 ASN  HD22  106 THR  QG2      5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HD22  106 THR  QG2      5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1472,1473,1474,
 &end
#
# 100 ASN  HD22  106 THR  QG2      5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1472,1473,1474,
 &end
#
# 101 ASN  HN    101 ASN  HA       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1406, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 101 ASN  HN    101 ASN  HB2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1408, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 101 ASN  HN    101 ASN  HB2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1408, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 101 ASN  HN    101 ASN  HB2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1408, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 101 ASN  HN    101 ASN  HB3      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1409, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 101 ASN  HN    101 ASN  HB3      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1409, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 101 ASN  HN    101 ASN  HB3      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1409, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 101 ASN  HN    101 ASN  HD21     5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1413, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 101 ASN  HN    101 ASN  HD21     5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1413, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 101 ASN  HN    101 ASN  HD21     5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1413, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 101 ASN  HN    101 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1414, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 101 ASN  HN    101 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1414, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 101 ASN  HN    101 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1414, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 101 ASN  HN    102 ASP  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1418, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 101 ASN  HN    102 ASP  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1418, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 101 ASN  HN    102 ASP  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1418, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 101 ASN  HN    103 GLY  HN       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1430, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 101 ASN  HN    103 GLY  HN       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1430, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 101 ASN  HN    103 GLY  HN       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1430, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 101 ASN  HN    104 ILE  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1437, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 101 ASN  HN    104 ILE  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1437, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 101 ASN  HN    104 ILE  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1437, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 101 ASN  HN    106 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1472,1473,1474,
 &end
#
# 101 ASN  HN    106 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1472,1473,1474,
 &end
#
# 101 ASN  HN    106 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1472,1473,1474,
 &end
#
# 101 ASN  HA    101 ASN  HB2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1408, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 101 ASN  HA    101 ASN  HB3      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1409, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 101 ASN  HA    101 ASN  HD21     5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1413, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 101 ASN  HA    101 ASN  HD21     5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1413, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 101 ASN  HA    101 ASN  HD21     5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1413, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 101 ASN  HA    102 ASP  HN       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1418, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 101 ASN  HA    102 ASP  HB2      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 101 ASN  HA    102 ASP  HB2      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 101 ASN  HA    102 ASP  HB2      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 101 ASN  HA    103 GLY  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1430, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 101 ASN  HA    103 GLY  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1430, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 101 ASN  HA    103 GLY  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1430, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 101 ASN  HB2   101 ASN  HD21     4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1408,1413, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 101 ASN  HB2   101 ASN  HD21     4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1408,1413, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 101 ASN  HB2   101 ASN  HD21     4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1408,1413, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 101 ASN  HB2   102 ASP  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1408,1418, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 101 ASN  HB2   102 ASP  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1408,1418, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 101 ASN  HB2   102 ASP  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1408,1418, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 101 ASN  HB3   101 ASN  HB2      2.83
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1408, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 101 ASN  HB3   101 ASN  HD21     4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1413, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 101 ASN  HB3   101 ASN  HD21     4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1413, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 101 ASN  HB3   101 ASN  HD21     4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1413, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 101 ASN  HB3   101 ASN  HD22     4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1414, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 101 ASN  HB3   102 ASP  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1418, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 101 ASN  HB3   102 ASP  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1418, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 101 ASN  HB3   102 ASP  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1418, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 101 ASN  HD21  101 ASN  HD22     2.67
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1414, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 101 ASN  HD21  102 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1418, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 101 ASN  HD21  102 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1418, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 101 ASN  HD21  102 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1418, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 101 ASN  HD21  103 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 101 ASN  HD21  103 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 101 ASN  HD21  103 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1430, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 101 ASN  HD22  102 ASP  HB3      5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1414,1423, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 101 ASN  HD22  102 ASP  HB3      5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1414,1423, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 101 ASN  HD22  102 ASP  HB3      5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1414,1423, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 102 ASP  HN    102 ASP  HA       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1420, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 102 ASP  HN    102 ASP  HB2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1422, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 102 ASP  HN    102 ASP  HB2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1422, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 102 ASP  HN    102 ASP  HB2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1422, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 102 ASP  HN    102 ASP  HB3      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1423, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 102 ASP  HN    102 ASP  HB3      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1423, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 102 ASP  HN    102 ASP  HB3      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1423, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 102 ASP  HN    103 GLY  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1430, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 102 ASP  HN    103 GLY  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1430, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 102 ASP  HN    103 GLY  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1430, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 102 ASP  HN    103 GLY  HA3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 ASP  HN    103 GLY  HA3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 ASP  HN    103 GLY  HA3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 ASP  HN    104 ILE  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1437, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 102 ASP  HN    104 ILE  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1437, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 102 ASP  HN    104 ILE  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1437, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 102 ASP  HN    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 102 ASP  HN    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 102 ASP  HN    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 102 ASP  HN    104 ILE  HG12     5.93
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1447, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
# 102 ASP  HN    104 ILE  HG12     5.93
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1447, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
# 102 ASP  HN    104 ILE  HG12     5.93
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1447, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
# 102 ASP  HN    104 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1450,1451,1452,
 &end
#
# 102 ASP  HN    104 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1450,1451,1452,
 &end
#
# 102 ASP  HN    104 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1450,1451,1452,
 &end
#
# 102 ASP  HA    102 ASP  HB2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1422, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 102 ASP  HA    102 ASP  HB3      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1423, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 102 ASP  HA    103 GLY  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1430, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 102 ASP  HB2   103 GLY  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1430, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 102 ASP  HB2   103 GLY  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1430, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 102 ASP  HB2   103 GLY  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1430, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 102 ASP  HB2   104 ILE  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1437, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 102 ASP  HB2   104 ILE  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1437, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 102 ASP  HB2   104 ILE  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1437, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 102 ASP  HB2   104 ILE  HG12     6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1447, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
# 102 ASP  HB2   104 ILE  HG12     6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1447, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
# 102 ASP  HB2   104 ILE  HG12     6.01
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1447, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
# 102 ASP  HB2   104 ILE  QD1      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1450,1451,1452,
 &end
#
# 102 ASP  HB2   104 ILE  QD1      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1450,1451,1452,
 &end
#
# 102 ASP  HB2   104 ILE  QD1      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1450,1451,1452,
 &end
#
# 102 ASP  HB3   103 GLY  HN       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1430, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 102 ASP  HB3   103 GLY  HN       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1430, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 102 ASP  HB3   103 GLY  HN       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1430, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 102 ASP  HB3   104 ILE  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1437, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 102 ASP  HB3   104 ILE  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1437, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 102 ASP  HB3   104 ILE  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1437, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 102 ASP  HB3   104 ILE  HB       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1441, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 102 ASP  HB3   104 ILE  HB       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1441, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 102 ASP  HB3   104 ILE  HB       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1441, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 102 ASP  HB3   104 ILE  QD1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1450,1451,1452,
 &end
#
# 102 ASP  HB3   104 ILE  QD1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1450,1451,1452,
 &end
#
# 102 ASP  HB3   104 ILE  QD1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1450,1451,1452,
 &end
#
# 103 GLY  HN    103 GLY  HA2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1432, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 103 GLY  HN    103 GLY  HA3      3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1433, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 103 GLY  HN    104 ILE  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1437, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 103 GLY  HN    104 ILE  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1437, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 103 GLY  HN    104 ILE  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1437, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 103 GLY  HN    104 ILE  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1437, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 103 GLY  HN    104 ILE  HA       5.63
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1439, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
# 103 GLY  HN    104 ILE  HA       5.63
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1439, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
# 103 GLY  HN    104 ILE  HA       5.63
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1439, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
# 103 GLY  HN    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 103 GLY  HN    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 103 GLY  HN    104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 103 GLY  HN    104 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1447, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 103 GLY  HN    104 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1447, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 103 GLY  HN    104 ILE  HG12     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1447, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 103 GLY  HN    104 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1450,1451,1452,
 &end
#
# 103 GLY  HN    104 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1450,1451,1452,
 &end
#
# 103 GLY  HN    104 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1450,1451,1452,
 &end
#
# 103 GLY  HA2   104 ILE  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1437, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 103 GLY  HA2   104 ILE  HN       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1437, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 103 GLY  HA2   104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 103 GLY  HA2   104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 103 GLY  HA2   104 ILE  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1441, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 103 GLY  HA3   103 GLY  HA2      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1432, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 103 GLY  HA3   104 ILE  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1437, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 104 ILE  HN    104 ILE  HA       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1439, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 104 ILE  HN    104 ILE  HB       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1441, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 104 ILE  HN    104 ILE  HB       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1441, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 104 ILE  HN    104 ILE  HB       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1441, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 104 ILE  HN    104 ILE  HG12     4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1447, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 104 ILE  HN    104 ILE  HG12     4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1447, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 104 ILE  HN    104 ILE  HG12     4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1447, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 104 ILE  HN    104 ILE  HG13     4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1448, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 104 ILE  HN    104 ILE  HG13     4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1448, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 104 ILE  HN    104 ILE  HG13     4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1448, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 104 ILE  HN    104 ILE  QD1      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  HN    104 ILE  QD1      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  HN    104 ILE  QD1      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  HN    104 ILE  QG2      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1443,1444,1445,
 &end
#
# 104 ILE  HN    104 ILE  QG2      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1443,1444,1445,
 &end
#
# 104 ILE  HN    104 ILE  QG2      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1443,1444,1445,
 &end
#
# 104 ILE  HN    105 ALA  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1456, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 104 ILE  HN    105 ALA  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1456, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 104 ILE  HN    105 ALA  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1456, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 104 ILE  HN    105 ALA  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1456, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 104 ILE  HA    104 ILE  HB       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1441, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 104 ILE  HA    104 ILE  HG12     4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1447, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 104 ILE  HA    104 ILE  HG13     4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1448, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 104 ILE  HA    104 ILE  HG13     4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1448, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 104 ILE  HA    104 ILE  HG13     4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1448, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 104 ILE  HA    104 ILE  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  HA    104 ILE  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  HA    104 ILE  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  HA    104 ILE  QG2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1443,1444,1445,
 &end
#
# 104 ILE  HA    104 ILE  QG2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1443,1444,1445,
 &end
#
# 104 ILE  HA    104 ILE  QG2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1443,1444,1445,
 &end
#
# 104 ILE  HA    105 ALA  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1456, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 104 ILE  HA    105 ALA  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 104 ILE  HA    105 ALA  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 104 ILE  HA    105 ALA  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 104 ILE  HA    105 ALA  QB       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1460,1461,1462,
 &end
#
# 104 ILE  HA    105 ALA  QB       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1460,1461,1462,
 &end
#
# 104 ILE  HA    105 ALA  QB       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1460,1461,1462,
 &end
#
# 104 ILE  HB    104 ILE  HG12     5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1447, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 104 ILE  HB    104 ILE  HG13     4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1448, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 104 ILE  HB    104 ILE  QD1      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  HB    104 ILE  QD1      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  HB    104 ILE  QD1      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  HB    105 ALA  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1456, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 104 ILE  HB    105 ALA  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1456, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 104 ILE  HB    105 ALA  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1456, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 104 ILE  HB    105 ALA  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1456, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 104 ILE  HG12  104 ILE  QD1      3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1447,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  HG12  105 ALA  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1447,1456, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 104 ILE  HG12  105 ALA  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1447,1456, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 104 ILE  HG12  105 ALA  HN       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1447,1456, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 104 ILE  HG13  104 ILE  HG12     3.09
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1447, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 104 ILE  HG13  104 ILE  QD1      3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1450,1451,1452,
 &end
#
# 104 ILE  QG2   104 ILE  HG12     4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   104 ILE  HG12     4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   104 ILE  HG12     4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   104 ILE  HG13     3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   104 ILE  HG13     3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   104 ILE  HG13     3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   105 ALA  HN       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   105 ALA  HN       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   105 ALA  HN       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   106 THR  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   106 THR  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   106 THR  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   106 THR  HB       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1470, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   106 THR  HB       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1470, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1443,1444,1445,
 &end
#
# 104 ILE  QG2   106 THR  HB       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1470, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1443,1444,1445,
 &end
#
# 105 ALA  HN    105 ALA  HA       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1456,1458, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 105 ALA  HN    105 ALA  QB       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1460,1461,1462,
 &end
#
# 105 ALA  HN    105 ALA  QB       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1460,1461,1462,
 &end
#
# 105 ALA  HN    105 ALA  QB       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1460,1461,1462,
 &end
#
# 105 ALA  HN    106 THR  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1456,1466, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 105 ALA  HN    106 THR  HN       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=1456,1466, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
# 105 ALA  HN    106 THR  HN       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=1456,1466, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
# 105 ALA  HN    106 THR  HN       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=1456,1466, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
# 105 ALA  HA    106 THR  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1466, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 105 ALA  HA    106 THR  HN       3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1466, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 105 ALA  HA    106 THR  HN       3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1466, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 105 ALA  HA    106 THR  HN       3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1466, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 105 ALA  HA    107 GLU  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1480, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 105 ALA  HA    107 GLU  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1480, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 105 ALA  HA    107 GLU  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1480, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 105 ALA  QB    106 THR  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1460,1461,1462,
 &end
#
# 105 ALA  QB    105 ALA  HA       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1460,1461,1462,
 &end
#
# 105 ALA  QB    106 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1468, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1460,1461,1462,
 &end
#
# 105 ALA  QB    106 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1468, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1460,1461,1462,
 &end
#
# 105 ALA  QB    106 THR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1468, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1460,1461,1462,
 &end
#
# 105 ALA  QB    107 GLU  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1460,1461,1462,
 &end
#
# 105 ALA  QB    107 GLU  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1460,1461,1462,
 &end
#
# 105 ALA  QB    107 GLU  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1460,1461,1462,
 &end
#
# 106 THR  HN    106 THR  HA       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1468, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 106 THR  HN    106 THR  HB       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1470, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 106 THR  HN    106 THR  QG2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1472,1473,1474,
 &end
#
# 106 THR  HN    106 THR  QG2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1472,1473,1474,
 &end
#
# 106 THR  HN    106 THR  QG2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1472,1473,1474,
 &end
#
# 106 THR  HN    107 GLU  HN       3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1480, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 106 THR  HN    107 GLU  HN       3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1480, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 106 THR  HN    107 GLU  HN       3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1480, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 106 THR  HN    107 GLU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1480, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 106 THR  HN    107 GLU  HB2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1484, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 106 THR  HN    107 GLU  HB2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1484, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 106 THR  HN    107 GLU  HB2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1484, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 106 THR  HN    107 GLU  HB3      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1485, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 106 THR  HN    107 GLU  HB3      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1485, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 106 THR  HN    107 GLU  HB3      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1485, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 106 THR  HN    107 GLU  HG2      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1487, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
# 106 THR  HN    107 GLU  HG2      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1487, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
# 106 THR  HN    107 GLU  HG2      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1487, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
# 106 THR  HN    107 GLU  HG3      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1488, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 106 THR  HN    107 GLU  HG3      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1488, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 106 THR  HN    107 GLU  HG3      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1488, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 106 THR  HA    106 THR  HB       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1470, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 106 THR  HA    106 THR  QG2      3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1472,1473,1474,
 &end
#
# 106 THR  HA    106 THR  QG2      3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1472,1473,1474,
 &end
#
# 106 THR  HA    106 THR  QG2      3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1472,1473,1474,
 &end
#
# 106 THR  HA    107 GLU  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1480, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 106 THR  HA    107 GLU  HN       4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1480, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 106 THR  HB    107 GLU  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1480, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 106 THR  HB    107 GLU  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1480, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 106 THR  HB    107 GLU  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1480, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 106 THR  HB    107 GLU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1480, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 106 THR  HB    107 GLU  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1488, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 106 THR  HB    107 GLU  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1488, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 106 THR  HB    107 GLU  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1488, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 106 THR  QG2   106 THR  HB       3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1470, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1472,1473,1474,
 &end
#
# 106 THR  QG2   107 GLU  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1472,1473,1474,
 &end
#
# 106 THR  QG2   107 GLU  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1472,1473,1474,
 &end
#
# 106 THR  QG2   107 GLU  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1472,1473,1474,
 &end
#
# 106 THR  QG2   107 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1472,1473,1474,
 &end
#
# 106 THR  QG2   107 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1472,1473,1474,
 &end
#
# 106 THR  QG2   107 GLU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1472,1473,1474,
 &end
#
# 107 GLU  HN    107 GLU  HA       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1482, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 107 GLU  HN    107 GLU  HB2      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1484, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 107 GLU  HN    107 GLU  HB2      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1484, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 107 GLU  HN    107 GLU  HB2      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1484, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 107 GLU  HN    107 GLU  HB3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1485, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 107 GLU  HN    107 GLU  HB3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1485, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 107 GLU  HN    107 GLU  HB3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1485, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 107 GLU  HN    107 GLU  HG2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1487, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 107 GLU  HN    107 GLU  HG2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1487, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 107 GLU  HN    107 GLU  HG2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1487, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 107 GLU  HN    107 GLU  HG3      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1488, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 107 GLU  HN    107 GLU  HG3      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1488, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 107 GLU  HN    107 GLU  HG3      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1488, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 107 GLU  HN    108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1505, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 107 GLU  HN    108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1505, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 107 GLU  HN    108 PRO  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1505, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 107 GLU  HN    108 PRO  HD3      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1497, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 107 GLU  HA    107 GLU  HB2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1484, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 107 GLU  HA    107 GLU  HB3      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1485, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 107 GLU  HA    107 GLU  HG2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1487, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 107 GLU  HA    107 GLU  HG2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1487, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 107 GLU  HA    107 GLU  HG2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1487, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 107 GLU  HA    107 GLU  HG3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1488, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 107 GLU  HA    108 PRO  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1505, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 107 GLU  HA    108 PRO  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1505, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 107 GLU  HA    108 PRO  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1505, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 107 GLU  HA    108 PRO  HG2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1499, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 107 GLU  HA    108 PRO  HG2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1499, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 107 GLU  HA    108 PRO  HG2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1499, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 107 GLU  HA    108 PRO  HG3      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1500, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 107 GLU  HA    108 PRO  HG3      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1500, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 107 GLU  HA    108 PRO  HG3      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1500, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 107 GLU  HB2   107 GLU  HB3      2.84
 &rst
  ixpk= 0, nxpk= 0, iat=1484,1485, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 107 GLU  HB3   108 PRO  HD3      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1497, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 107 GLU  HB3   108 PRO  HD3      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1497, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 107 GLU  HG2   107 GLU  HG3      2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1487,1488, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 108 PRO  HA    108 PRO  HG2      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1499, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
# 108 PRO  HA    109 VAL  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1509, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 108 PRO  HA    109 VAL  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1509, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 108 PRO  HA    109 VAL  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1509, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 108 PRO  HA    109 VAL  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1509, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 108 PRO  HA    109 VAL  QG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1519,1520,1521,
 &end
#
# 108 PRO  HA    109 VAL  QG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1519,1520,1521,
 &end
#
# 108 PRO  HA    109 VAL  QG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1519,1520,1521,
 &end
#
# 108 PRO  HB2   108 PRO  HA       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1505, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 108 PRO  HB2   108 PRO  HB3      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1503, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 108 PRO  HB2   109 VAL  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1509, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 108 PRO  HB2   109 VAL  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1509, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 108 PRO  HB2   109 VAL  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1509, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 108 PRO  HB2   109 VAL  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1509, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 108 PRO  HB2   109 VAL  HA       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1511, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 108 PRO  HB2   109 VAL  HA       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1511, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 108 PRO  HB2   109 VAL  HA       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1502,1511, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 108 PRO  HB3   108 PRO  HA       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1505, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 108 PRO  HB3   108 PRO  HD2      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 108 PRO  HB3   108 PRO  HD3      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1497, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 108 PRO  HB3   109 VAL  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1509, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 108 PRO  HB3   109 VAL  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1509, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 108 PRO  HB3   109 VAL  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1509, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 108 PRO  HD2   108 PRO  HD3      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1496,1497, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 108 PRO  HD3   109 VAL  QG1      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1515,1516,1517,
 &end
#
# 108 PRO  HD3   109 VAL  QG1      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1515,1516,1517,
 &end
#
# 108 PRO  HG3   108 PRO  HA       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1500,1505, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 108 PRO  HG3   108 PRO  HD2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1500,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 109 VAL  HN    109 VAL  HA       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1511, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 109 VAL  HN    109 VAL  HB       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1513, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 109 VAL  HN    109 VAL  QG2      3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1519,1520,1521,
 &end
#
# 109 VAL  HN    109 VAL  QG2      3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1519,1520,1521,
 &end
#
# 109 VAL  HN    109 VAL  QG2      3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1519,1520,1521,
 &end
#
# 109 VAL  HN    110 THR  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1525, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 109 VAL  HN    110 THR  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1525, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 109 VAL  HN    110 THR  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1525, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 109 VAL  HN    110 THR  HN       6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1525, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 109 VAL  HN    110 THR  HA       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1527, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
# 109 VAL  HN    110 THR  HA       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1527, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
# 109 VAL  HN    110 THR  HA       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1527, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
# 109 VAL  HA    109 VAL  HB       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1513, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 109 VAL  HA    109 VAL  QG1      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1511,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1515,1516,1517,
 &end
#
# 109 VAL  HA    109 VAL  QG1      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1511,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1515,1516,1517,
 &end
#
# 109 VAL  HA    109 VAL  QG1      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1511,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1515,1516,1517,
 &end
#
# 109 VAL  HA    109 VAL  QG2      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1511,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1519,1520,1521,
 &end
#
# 109 VAL  HA    110 THR  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1525, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 109 VAL  HA    110 THR  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1525, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 109 VAL  HA    110 THR  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1525, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 109 VAL  HA    110 THR  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1525, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 109 VAL  HA    110 THR  HB       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1529, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 109 VAL  HA    110 THR  HB       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1529, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 109 VAL  HA    110 THR  HB       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1529, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 109 VAL  HB    109 VAL  QG2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1513,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1519,1520,1521,
 &end
#
# 109 VAL  HB    110 THR  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1513,1525, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 109 VAL  HB    110 THR  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1513,1525, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 109 VAL  HB    110 THR  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1513,1525, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 109 VAL  HB    110 THR  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1513,1525, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 109 VAL  HB    110 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1513,1529, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 109 VAL  HB    110 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1513,1529, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 109 VAL  HB    110 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1513,1529, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 109 VAL  QG1   109 VAL  HB       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1513, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1515,1516,1517,
 &end
#
# 109 VAL  QG1   110 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1515,1516,1517,
 &end
#
# 109 VAL  QG1   110 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1515,1516,1517,
 &end
#
# 109 VAL  QG1   110 THR  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1515,1516,1517,
 &end
#
# 109 VAL  QG2   110 THR  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1519,1520,1521,
 &end
#
# 109 VAL  QG2   110 THR  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1519,1520,1521,
 &end
#
# 109 VAL  QG2   110 THR  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1519,1520,1521,
 &end
#
# 109 VAL  QG2   110 THR  HA       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1519,1520,1521,
 &end
#
# 109 VAL  QG2   110 THR  HA       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1519,1520,1521,
 &end
#
# 109 VAL  QG2   110 THR  HA       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1519,1520,1521,
 &end
#
# 109 VAL  QG2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1519,1520,1521,
 &end
#
# 109 VAL  QG2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1519,1520,1521,
 &end
#
# 109 VAL  QG2   111 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1519,1520,1521,
 &end
#
# 110 THR  HN    110 THR  HA       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1525,1527, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 110 THR  HN    110 THR  HB       3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1525,1529, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 110 THR  HN    110 THR  HB       3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1525,1529, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 110 THR  HN    110 THR  HB       3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1525,1529, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 110 THR  HN    110 THR  QG2      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1531,1532,1533,
 &end
#
# 110 THR  HN    110 THR  QG2      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1531,1532,1533,
 &end
#
# 110 THR  HN    110 THR  QG2      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1531,1532,1533,
 &end
#
# 110 THR  HN    111 ALA  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1525,1539, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 110 THR  HN    111 ALA  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=1525,1539, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 110 THR  HN    111 ALA  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=1525,1539, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 110 THR  HN    111 ALA  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=1525,1539, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 110 THR  HN    111 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1543,1544,1545,
 &end
#
# 110 THR  HN    111 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1543,1544,1545,
 &end
#
# 110 THR  HN    111 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1543,1544,1545,
 &end
#
# 110 THR  HA    110 THR  HB       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1527,1529, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 110 THR  HA    110 THR  QG2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1531,1532,1533,
 &end
#
# 110 THR  HA    110 THR  QG2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1531,1532,1533,
 &end
#
# 110 THR  HA    110 THR  QG2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1531,1532,1533,
 &end
#
# 110 THR  HA    111 ALA  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1527,1539, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 110 THR  HA    111 ALA  HN       3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1527,1539, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 110 THR  HA    111 ALA  HN       3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1527,1539, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 110 THR  HA    111 ALA  HN       3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1527,1539, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 110 THR  HA    111 ALA  QB       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1543,1544,1545,
 &end
#
# 110 THR  HA    111 ALA  QB       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1543,1544,1545,
 &end
#
# 110 THR  HA    111 ALA  QB       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1543,1544,1545,
 &end
#
# 110 THR  HB    111 ALA  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1529,1539, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 110 THR  HB    111 ALA  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1529,1539, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 110 THR  HB    111 ALA  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1529,1539, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 110 THR  HB    111 ALA  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1529,1539, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 110 THR  HB    111 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1543,1544,1545,
 &end
#
# 110 THR  HB    111 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1543,1544,1545,
 &end
#
# 110 THR  HB    111 ALA  QB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1543,1544,1545,
 &end
#
# 110 THR  HB    112 PRO  QG       5.65
 &rst
  ixpk= 0, nxpk= 0, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1553,1554,
 &end
#
# 110 THR  HB    112 PRO  QG       5.65
 &rst
  ixpk= 0, nxpk= 0, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1553,1554,
 &end
#
# 110 THR  HB    112 PRO  QG       5.65
 &rst
  ixpk= 0, nxpk= 0, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1553,1554,
 &end
#
# 110 THR  QG2   110 THR  HB       3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   111 ALA  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   111 ALA  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   111 ALA  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   111 ALA  HA       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   111 ALA  HA       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   111 ALA  HA       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   112 PRO  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   112 PRO  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   112 PRO  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   112 PRO  HD2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   112 PRO  HD2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   112 PRO  HD2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   112 PRO  HD3      5.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   112 PRO  HD3      5.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   112 PRO  HD3      5.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1=1531,1532,1533,
 &end
#
# 110 THR  QG2   112 PRO  QG       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
 igr1=1531,1532,1533,
 igr2=1553,1554,
 &end
#
# 110 THR  QG2   112 PRO  QG       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
 igr1=1531,1532,1533,
 igr2=1553,1554,
 &end
#
# 110 THR  QG2   112 PRO  QG       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
 igr1=1531,1532,1533,
 igr2=1553,1554,
 &end
#
# 111 ALA  HN    111 ALA  HA       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1539,1541, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 111 ALA  HN    111 ALA  QB       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1539,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1543,1544,1545,
 &end
#
# 111 ALA  HN    111 ALA  QB       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1539,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1543,1544,1545,
 &end
#
# 111 ALA  HN    111 ALA  QB       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1539,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1543,1544,1545,
 &end
#
# 111 ALA  HN    114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1539,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 111 ALA  HN    114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1539,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 111 ALA  HN    114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1539,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 111 ALA  HA    112 PRO  HA       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1559, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 111 ALA  HA    112 PRO  HA       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1559, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 111 ALA  HA    112 PRO  HA       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1559, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 111 ALA  HA    112 PRO  QG       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1553,1554,
 &end
#
# 111 ALA  HA    112 PRO  QG       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1553,1554,
 &end
#
# 111 ALA  HA    112 PRO  QG       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1553,1554,
 &end
#
# 111 ALA  HA    113 ARG  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1563, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 111 ALA  HA    113 ARG  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1563, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 111 ALA  HA    113 ARG  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1563, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 111 ALA  HA    114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 111 ALA  HA    114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 111 ALA  HA    114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 111 ALA  QB    111 ALA  HA       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1543,1544,1545,
 &end
#
# 111 ALA  QB    113 ARG  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1543,1544,1545,
 &end
#
# 111 ALA  QB    113 ARG  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1543,1544,1545,
 &end
#
# 111 ALA  QB    113 ARG  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1543,1544,1545,
 &end
#
# 111 ALA  QB    114 LEU  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1543,1544,1545,
 &end
#
# 111 ALA  QB    114 LEU  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1543,1544,1545,
 &end
#
# 111 ALA  QB    114 LEU  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1543,1544,1545,
 &end
#
# 111 ALA  QB    114 LEU  QD2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1543,1544,1545,
 igr2=1600,1601,1602,
 &end
#
# 111 ALA  QB    114 LEU  QD2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1543,1544,1545,
 igr2=1600,1601,1602,
 &end
#
# 111 ALA  QB    114 LEU  QD2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1543,1544,1545,
 igr2=1600,1601,1602,
 &end
#
# 112 PRO  HA    113 ARG  HN       3.50  (#)
 &rst
  ixpk= 0, nxpk= 0, iat=1559,1563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 112 PRO  HA    113 ARG  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1559,1563, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 112 PRO  HA    114 LEU  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1559,1587, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 112 PRO  HA    114 LEU  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1559,1587, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 112 PRO  HA    114 LEU  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1559,1587, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 112 PRO  HA    115 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1619,1620,
 &end
#
# 112 PRO  HA    115 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1619,1620,
 &end
#
# 112 PRO  HA    115 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1619,1620,
 &end
#
# 112 PRO  HB2   112 PRO  HA       3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1559, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 112 PRO  HB2   112 PRO  HD3      4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1551, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 112 PRO  HB2   112 PRO  QG       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1553,1554,
 &end
#
# 112 PRO  HB2   113 ARG  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1563, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 112 PRO  HB2   113 ARG  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1563, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 112 PRO  HB3   112 PRO  HA       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1559, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 112 PRO  HB3   112 PRO  HB2      3.11
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1556, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 112 PRO  HB3   112 PRO  QG       2.96
 &rst
  ixpk= 0, nxpk= 0, iat=1557,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=1553,1554,
 &end
#
# 112 PRO  HB3   113 ARG  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1563, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 112 PRO  HB3   113 ARG  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1563, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 112 PRO  HB3   113 ARG  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1563, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 112 PRO  HD2   112 PRO  QG       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1553,1554,
 &end
#
# 112 PRO  HD2   113 ARG  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1550,1563, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 112 PRO  HD2   113 ARG  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1550,1563, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 112 PRO  HD2   113 ARG  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1550,1563, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 112 PRO  HD2   114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1550,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 112 PRO  HD2   114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1550,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 112 PRO  HD2   114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1550,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 112 PRO  HD3   112 PRO  HA       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1559, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 112 PRO  HD3   112 PRO  HB3      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1557, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 112 PRO  HD3   114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 112 PRO  HD3   114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 112 PRO  HD3   114 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 112 PRO  QG    112 PRO  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1553,1554,
 &end
#
# 112 PRO  QG    112 PRO  HD3      3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=1553,1554,
 &end
#
# 112 PRO  QG    113 ARG  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1553,1554,
 &end
#
# 112 PRO  QG    113 ARG  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1553,1554,
 &end
#
# 112 PRO  QG    113 ARG  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1553,1554,
 &end
#
# 113 ARG  HN    113 ARG  HA       4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1565, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 113 ARG  HN    113 ARG  HB2      5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1567, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 113 ARG  HN    113 ARG  HB3      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1568, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 113 ARG  HN    113 ARG  HB3      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1568, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 113 ARG  HN    113 ARG  HB3      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1568, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 113 ARG  HN    113 ARG  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1573, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HN    113 ARG  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1573, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HN    113 ARG  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1573, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HN    113 ARG  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1574, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HN    113 ARG  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1574, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HN    113 ARG  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1574, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HN    113 ARG  HE       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1576, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 113 ARG  HN    113 ARG  HE       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1576, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 113 ARG  HN    113 ARG  HE       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1576, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 113 ARG  HN    113 ARG  HG2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1570, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 113 ARG  HN    113 ARG  HG2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1570, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 113 ARG  HN    113 ARG  HG2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1570, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 113 ARG  HN    113 ARG  HG3      5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1571, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
# 113 ARG  HN    113 ARG  HG3      5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1571, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
# 113 ARG  HN    113 ARG  HG3      5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1571, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
# 113 ARG  HN    114 LEU  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1587, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 113 ARG  HN    114 LEU  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1587, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 113 ARG  HN    114 LEU  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1587, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 113 ARG  HN    114 LEU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1587, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 113 ARG  HN    114 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1589, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HN    114 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1589, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HN    114 LEU  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1589, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HN    114 LEU  HG       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1594, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 113 ARG  HN    114 LEU  HG       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1594, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 113 ARG  HN    114 LEU  HG       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1594, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 113 ARG  HN    114 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1596,1597,1598,
 &end
#
# 113 ARG  HN    114 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1596,1597,1598,
 &end
#
# 113 ARG  HN    114 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1563,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1596,1597,1598,
 &end
#
# 113 ARG  HN    114 LEU  QD2      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1563,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HN    114 LEU  QD2      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1563,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HN    114 LEU  QD2      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1563,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HA    113 ARG  HD2      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1573, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
# 113 ARG  HA    113 ARG  HD2      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1573, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
# 113 ARG  HA    113 ARG  HD2      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1573, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
# 113 ARG  HA    113 ARG  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1574, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HA    113 ARG  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1574, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HA    113 ARG  HD3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1574, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HA    113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1576, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HA    113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1576, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HA    113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1576, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HA    113 ARG  HG2      5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1570, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 113 ARG  HA    113 ARG  HG3      4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1571, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 113 ARG  HA    114 LEU  HN       3.50  (#)
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 113 ARG  HA    114 LEU  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1587, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 113 ARG  HA    114 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1565,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HA    114 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1565,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HA    114 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1565,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HB2   113 ARG  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1573, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HB2   113 ARG  HD3      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1574, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 113 ARG  HB2   113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1576, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HB2   113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1576, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HB2   113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1576, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HB2   113 ARG  HG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1570, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 113 ARG  HB2   113 ARG  HG3      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1571, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 113 ARG  HB2   114 LEU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1587, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 113 ARG  HB2   114 LEU  QD2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1567,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HB2   114 LEU  QD2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1567,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HB2   114 LEU  QD2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1567,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HB3   113 ARG  HB2      3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1567, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 113 ARG  HB3   113 ARG  HD3      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 113 ARG  HB3   113 ARG  HE       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1576, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
# 113 ARG  HB3   113 ARG  HE       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1576, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
# 113 ARG  HB3   113 ARG  HE       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1576, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
# 113 ARG  HB3   114 LEU  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1587, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 113 ARG  HB3   114 LEU  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1587, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 113 ARG  HB3   114 LEU  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1587, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 113 ARG  HD2   113 ARG  HE       5.59
 &rst
  ixpk= 0, nxpk= 0, iat=1573,1576, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
# 113 ARG  HD2   113 ARG  NH2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1582,1583,
 &end
#
# 113 ARG  HD2   114 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HD2   114 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HD2   114 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HD3   113 ARG  HD2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1574,1573, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 113 ARG  HD3   113 ARG  HE       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1574,1576, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 113 ARG  HD3   113 ARG  NH2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1582,1583,
 &end
#
# 113 ARG  HD3   113 ARG  NH2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1582,1583,
 &end
#
# 113 ARG  HE    114 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1576,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HE    114 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1576,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HE    114 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1576,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HG2   113 ARG  HD2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1573, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 113 ARG  HG2   113 ARG  HD3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1574, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 113 ARG  HG2   113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1576, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 113 ARG  HG2   114 LEU  QD2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HG2   114 LEU  QD2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HG2   114 LEU  QD2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1600,1601,1602,
 &end
#
# 113 ARG  HG3   113 ARG  HD2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1571,1573, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 113 ARG  HG3   113 ARG  HD3      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1571,1574, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 113 ARG  HG3   113 ARG  HE       5.64
 &rst
  ixpk= 0, nxpk= 0, iat=1571,1576, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
# 113 ARG  NH2   113 ARG  HE       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1=1582,1583,
 &end
#
# 113 ARG  NH2   113 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1582,1583,
 &end
#
# 113 ARG  NH2   113 ARG  NH2      5.55
#This appears to be self-referential: ignoring
#
# 114 LEU  HN    114 LEU  HA       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1589, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 114 LEU  HN    114 LEU  HB2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1591, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 114 LEU  HN    114 LEU  HB2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1591, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 114 LEU  HN    114 LEU  HB2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1591, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 114 LEU  HN    114 LEU  HB3      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1592, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 114 LEU  HN    114 LEU  HB3      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1592, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 114 LEU  HN    114 LEU  HB3      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1592, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 114 LEU  HN    114 LEU  HG       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1594, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 114 LEU  HN    114 LEU  HG       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1594, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 114 LEU  HN    114 LEU  HG       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1594, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 114 LEU  HN    114 LEU  QD1      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1596,1597,1598,
 &end
#
# 114 LEU  HN    114 LEU  QD1      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1596,1597,1598,
 &end
#
# 114 LEU  HN    114 LEU  QD1      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1596,1597,1598,
 &end
#
# 114 LEU  HN    114 LEU  QD2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1600,1601,1602,
 &end
#
# 114 LEU  HN    114 LEU  QD2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1600,1601,1602,
 &end
#
# 114 LEU  HN    114 LEU  QD2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1600,1601,1602,
 &end
#
# 114 LEU  HN    115 LYS  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1606, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 114 LEU  HN    115 LYS  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1606, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 114 LEU  HN    115 LYS  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1606, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 114 LEU  HN    115 LYS  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1606, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 114 LEU  HN    116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 114 LEU  HN    116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 114 LEU  HN    116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 114 LEU  HA    114 LEU  HB2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1591, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 114 LEU  HA    114 LEU  HB3      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1592, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 114 LEU  HA    114 LEU  HG       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 114 LEU  HA    114 LEU  HG       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 114 LEU  HA    114 LEU  HG       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 114 LEU  HA    114 LEU  QD1      4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1596,1597,1598,
 &end
#
# 114 LEU  HA    114 LEU  QD1      4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1596,1597,1598,
 &end
#
# 114 LEU  HA    114 LEU  QD1      4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1596,1597,1598,
 &end
#
# 114 LEU  HA    114 LEU  QD2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1600,1601,1602,
 &end
#
# 114 LEU  HA    114 LEU  QD2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1600,1601,1602,
 &end
#
# 114 LEU  HA    114 LEU  QD2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1600,1601,1602,
 &end
#
# 114 LEU  HA    115 LYS  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1606, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 114 LEU  HA    115 LYS  HN       3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1606, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 114 LEU  HA    115 LYS  HN       3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1606, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 114 LEU  HA    115 LYS  HN       3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1606, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 114 LEU  HA    116 SER  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1628, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 114 LEU  HA    116 SER  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1628, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 114 LEU  HA    116 SER  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1628, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 114 LEU  HB2   114 LEU  HB3      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1592, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 114 LEU  HB2   114 LEU  QD2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1591,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1600,1601,1602,
 &end
#
# 114 LEU  HB2   115 LYS  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1606, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 114 LEU  HB2   115 LYS  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1606, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 114 LEU  HB2   115 LYS  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1606, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 114 LEU  HB2   115 LYS  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1606, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 114 LEU  HB2   116 SER  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1628, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 114 LEU  HB2   116 SER  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1628, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 114 LEU  HB2   116 SER  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1628, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 114 LEU  HB3   114 LEU  QD1      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1592,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1596,1597,1598,
 &end
#
# 114 LEU  HB3   114 LEU  QD1      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1592,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1596,1597,1598,
 &end
#
# 114 LEU  HB3   114 LEU  QD1      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1592,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1596,1597,1598,
 &end
#
# 114 LEU  HB3   115 LYS  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1606, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 114 LEU  HB3   115 LYS  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1606, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 114 LEU  HB3   115 LYS  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1606, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 114 LEU  HB3   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 114 LEU  HB3   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 114 LEU  HB3   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 114 LEU  HG    114 LEU  QD2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1600,1601,1602,
 &end
#
# 114 LEU  HG    115 LYS  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1606, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 114 LEU  HG    115 LYS  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1606, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 114 LEU  HG    115 LYS  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1606, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 114 LEU  QD1   115 LYS  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1596,1597,1598,
 &end
#
# 114 LEU  QD1   115 LYS  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1596,1597,1598,
 &end
#
# 114 LEU  QD1   115 LYS  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1596,1597,1598,
 &end
#
# 114 LEU  QD1   115 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1596,1597,1598,
 &end
#
# 114 LEU  QD1   115 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1596,1597,1598,
 &end
#
# 114 LEU  QD1   115 LYS  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1596,1597,1598,
 &end
#
# 114 LEU  QD1   116 SER  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1596,1597,1598,
 &end
#
# 114 LEU  QD1   116 SER  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1596,1597,1598,
 &end
#
# 114 LEU  QD1   116 SER  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1596,1597,1598,
 &end
#
# 114 LEU  QD2   114 LEU  QD1      2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=1600,1601,1602,
 igr2=1596,1597,1598,
 &end
#
# 114 LEU  QD2   115 LYS  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1600,1601,1602,
 &end
#
# 114 LEU  QD2   115 LYS  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1600,1601,1602,
 &end
#
# 114 LEU  QD2   115 LYS  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1600,1601,1602,
 &end
#
# 114 LEU  QD2   116 SER  HN       5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1=1600,1601,1602,
 &end
#
# 114 LEU  QD2   116 SER  HN       5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1=1600,1601,1602,
 &end
#
# 114 LEU  QD2   116 SER  HN       5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1=1600,1601,1602,
 &end
#
# 115 LYS  HN    115 LYS  HA       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1608, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 115 LYS  HN    115 LYS  HB2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1610, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 115 LYS  HN    115 LYS  HB2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1610, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 115 LYS  HN    115 LYS  HB2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1610, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 115 LYS  HN    115 LYS  HB3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1611, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 115 LYS  HN    115 LYS  HB3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1611, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 115 LYS  HN    115 LYS  HB3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1611, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 115 LYS  HN    115 LYS  HG2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1613, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 115 LYS  HN    115 LYS  HG2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1613, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 115 LYS  HN    115 LYS  HG2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1613, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 115 LYS  HN    115 LYS  QD       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1616,1617,
 &end
#
# 115 LYS  HN    115 LYS  QD       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1616,1617,
 &end
#
# 115 LYS  HN    115 LYS  QD       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1616,1617,
 &end
#
# 115 LYS  HN    115 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1619,1620,
 &end
#
# 115 LYS  HN    115 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1619,1620,
 &end
#
# 115 LYS  HN    115 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1619,1620,
 &end
#
# 115 LYS  HN    116 SER  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1628, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 115 LYS  HN    116 SER  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1628, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 115 LYS  HN    116 SER  HN       3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1628, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 115 LYS  HN    116 SER  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1628, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 115 LYS  HN    116 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1630, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 115 LYS  HN    116 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1630, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 115 LYS  HN    116 SER  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1630, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 115 LYS  HN    116 SER  HB2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1632, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 115 LYS  HN    116 SER  HB2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1632, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 115 LYS  HN    116 SER  HB2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1632, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 115 LYS  HN    116 SER  HB3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1633, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 115 LYS  HN    116 SER  HB3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1633, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 115 LYS  HN    116 SER  HB3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1633, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 115 LYS  HN    119 GLU  QG       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1677,1678,
 &end
#
# 115 LYS  HN    119 GLU  QG       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1677,1678,
 &end
#
# 115 LYS  HN    119 GLU  QG       5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1677,1678,
 &end
#
# 115 LYS  HA    115 LYS  HB2      4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1610, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 115 LYS  HA    115 LYS  HB3      3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1611, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 115 LYS  HA    115 LYS  HG2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1613, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 115 LYS  HA    115 LYS  HG2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1613, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 115 LYS  HA    115 LYS  HG2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1613, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 115 LYS  HA    115 LYS  HG3      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1614, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 115 LYS  HA    115 LYS  HG3      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1614, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 115 LYS  HA    115 LYS  HG3      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1614, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 115 LYS  HA    115 LYS  QD       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1616,1617,
 &end
#
# 115 LYS  HA    115 LYS  QD       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1616,1617,
 &end
#
# 115 LYS  HA    115 LYS  QD       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1616,1617,
 &end
#
# 115 LYS  HA    115 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1619,1620,
 &end
#
# 115 LYS  HA    115 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1619,1620,
 &end
#
# 115 LYS  HA    115 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1619,1620,
 &end
#
# 115 LYS  HA    116 SER  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1628, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 115 LYS  HA    116 SER  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1628, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 115 LYS  HB2   115 LYS  HG2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1610,1613, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 115 LYS  HB2   115 LYS  QE       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1619,1620,
 &end
#
# 115 LYS  HB2   115 LYS  QE       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1619,1620,
 &end
#
# 115 LYS  HB2   115 LYS  QE       5.61
 &rst
  ixpk= 0, nxpk= 0, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1619,1620,
 &end
#
# 115 LYS  HB2   116 SER  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1610,1628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 115 LYS  HB2   116 SER  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1610,1628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 115 LYS  HB2   116 SER  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1610,1628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 115 LYS  HB2   116 SER  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1610,1628, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 115 LYS  HB3   115 LYS  HB2      2.85
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1610, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 115 LYS  HB3   116 SER  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1628, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 115 LYS  HB3   116 SER  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1628, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 115 LYS  HB3   116 SER  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1628, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 115 LYS  HG2   115 LYS  QD       3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2=1616,1617,
 &end
#
# 115 LYS  HG2   115 LYS  QD       3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2=1616,1617,
 &end
#
# 115 LYS  HG2   115 LYS  QD       3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2=1616,1617,
 &end
#
# 115 LYS  HG2   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 115 LYS  HG2   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 115 LYS  HG2   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 115 LYS  HG3   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 115 LYS  HG3   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 115 LYS  HG3   116 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 115 LYS  QD    115 LYS  QE       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1616,1617,
 igr2=1619,1620,
 &end
#
# 116 SER  HN    116 SER  HA       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1630, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 116 SER  HN    116 SER  HB2      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1632, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 116 SER  HN    116 SER  HB2      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1632, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 116 SER  HN    116 SER  HB2      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1632, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 116 SER  HN    116 SER  HB3      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1633, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 116 SER  HN    116 SER  HB3      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1633, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 116 SER  HN    116 SER  HB3      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1633, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 116 SER  HN    117 LEU  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1639, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 116 SER  HN    117 LEU  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1639, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 116 SER  HN    117 LEU  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1639, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 116 SER  HN    119 GLU  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1670, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 116 SER  HN    119 GLU  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1670, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 116 SER  HN    119 GLU  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1670, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 116 SER  HN    119 GLU  QG       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1628,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1677,1678,
 &end
#
# 116 SER  HN    119 GLU  QG       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1628,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1677,1678,
 &end
#
# 116 SER  HN    119 GLU  QG       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1628,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1677,1678,
 &end
#
# 116 SER  HA    116 SER  HB2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1632, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 116 SER  HA    116 SER  HB3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1633, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 116 SER  HA    117 LEU  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1639, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 116 SER  HA    117 LEU  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1639, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 116 SER  HA    117 LEU  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1639, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 116 SER  HA    117 LEU  HA       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1641, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 116 SER  HA    117 LEU  HA       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1641, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 116 SER  HA    117 LEU  HA       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1641, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 116 SER  HA    117 LEU  HB2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1643, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 116 SER  HA    117 LEU  HB2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1643, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 116 SER  HA    117 LEU  HB2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1643, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 116 SER  HA    117 LEU  QD1      5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1630,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2=1648,1649,1650,
 &end
#
# 116 SER  HA    117 LEU  QD1      5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1630,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2=1648,1649,1650,
 &end
#
# 116 SER  HA    117 LEU  QD1      5.86
 &rst
  ixpk= 0, nxpk= 0, iat=1630,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2=1648,1649,1650,
 &end
#
# 116 SER  HA    117 LEU  QD2      5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1630,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2=1652,1653,1654,
 &end
#
# 116 SER  HA    117 LEU  QD2      5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1630,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2=1652,1653,1654,
 &end
#
# 116 SER  HA    117 LEU  QD2      5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1630,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2=1652,1653,1654,
 &end
#
# 116 SER  HA    118 ASP  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1658, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 116 SER  HA    118 ASP  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1658, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 116 SER  HA    118 ASP  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1658, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 116 SER  HB2   117 LEU  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1639, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 116 SER  HB2   117 LEU  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1639, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 116 SER  HB2   117 LEU  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1639, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 116 SER  HB2   117 LEU  HB2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1643, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 116 SER  HB2   117 LEU  HB2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1643, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 116 SER  HB2   117 LEU  HB2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1643, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 116 SER  HB2   117 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1652,1653,1654,
 &end
#
# 116 SER  HB2   117 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1652,1653,1654,
 &end
#
# 116 SER  HB2   117 LEU  QD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1652,1653,1654,
 &end
#
# 116 SER  HB2   118 ASP  HN       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1658, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 116 SER  HB2   118 ASP  HN       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1658, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 116 SER  HB2   118 ASP  HN       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1658, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 116 SER  HB2   118 ASP  QB       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1662,1663,
 &end
#
# 116 SER  HB2   118 ASP  QB       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1662,1663,
 &end
#
# 116 SER  HB2   118 ASP  QB       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1662,1663,
 &end
#
# 116 SER  HB2   119 GLU  HN       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1670, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 116 SER  HB2   119 GLU  HN       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1670, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 116 SER  HB2   119 GLU  HN       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1670, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 116 SER  HB2   119 GLU  QG       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1677,1678,
 &end
#
# 116 SER  HB2   119 GLU  QG       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1677,1678,
 &end
#
# 116 SER  HB2   119 GLU  QG       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1677,1678,
 &end
#
# 116 SER  HB3   116 SER  HB2      3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1632, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 116 SER  HB3   117 LEU  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1639, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 116 SER  HB3   117 LEU  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1639, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 116 SER  HB3   117 LEU  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1639, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 116 SER  HB3   118 ASP  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1658, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 116 SER  HB3   118 ASP  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1658, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 116 SER  HB3   118 ASP  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1658, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 116 SER  HB3   118 ASP  QB       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2=1662,1663,
 &end
#
# 116 SER  HB3   118 ASP  QB       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2=1662,1663,
 &end
#
# 116 SER  HB3   118 ASP  QB       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2=1662,1663,
 &end
#
# 116 SER  HB3   119 GLU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1670, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 116 SER  HB3   119 GLU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1670, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 116 SER  HB3   119 GLU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1670, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 116 SER  HB3   119 GLU  QG       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1677,1678,
 &end
#
# 116 SER  HB3   119 GLU  QG       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1677,1678,
 &end
#
# 116 SER  HB3   119 GLU  QG       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1677,1678,
 &end
#
# 117 LEU  HN    117 LEU  HA       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1641, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 117 LEU  HN    117 LEU  HB2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1643, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 117 LEU  HN    117 LEU  HB2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1643, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 117 LEU  HN    117 LEU  HB2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1643, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 117 LEU  HN    117 LEU  HB3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1644, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 117 LEU  HN    117 LEU  HB3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1644, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 117 LEU  HN    117 LEU  HB3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1644, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 117 LEU  HN    117 LEU  HG       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1646, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 117 LEU  HN    117 LEU  HG       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1646, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 117 LEU  HN    117 LEU  HG       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1646, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 117 LEU  HN    117 LEU  QD2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1652,1653,1654,
 &end
#
# 117 LEU  HN    117 LEU  QD2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1652,1653,1654,
 &end
#
# 117 LEU  HN    117 LEU  QD2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1652,1653,1654,
 &end
#
# 117 LEU  HN    118 ASP  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1658, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 117 LEU  HN    118 ASP  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1658, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 117 LEU  HN    118 ASP  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1658, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 117 LEU  HN    118 ASP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1660, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HN    118 ASP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1660, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HN    118 ASP  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1660, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HN    118 ASP  QB       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1662,1663,
 &end
#
# 117 LEU  HN    118 ASP  QB       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1662,1663,
 &end
#
# 117 LEU  HN    118 ASP  QB       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1662,1663,
 &end
#
# 117 LEU  HN    119 GLU  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1670, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 117 LEU  HN    119 GLU  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1670, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 117 LEU  HN    119 GLU  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1670, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 117 LEU  HN    120 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1685, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HN    120 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1685, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HN    120 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1685, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HN    120 VAL  QG2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1695,1696,1697,
 &end
#
# 117 LEU  HN    120 VAL  QG2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1695,1696,1697,
 &end
#
# 117 LEU  HN    120 VAL  QG2      5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2=1695,1696,1697,
 &end
#
# 117 LEU  HA    117 LEU  HB2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1643, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 117 LEU  HA    117 LEU  HB3      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1644, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 117 LEU  HA    117 LEU  HG       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1646, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 117 LEU  HA    117 LEU  HG       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1646, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 117 LEU  HA    117 LEU  HG       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1646, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 117 LEU  HA    117 LEU  QD1      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1648,1649,1650,
 &end
#
# 117 LEU  HA    117 LEU  QD1      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1648,1649,1650,
 &end
#
# 117 LEU  HA    117 LEU  QD1      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1648,1649,1650,
 &end
#
# 117 LEU  HA    119 GLU  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1670, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 117 LEU  HA    119 GLU  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1670, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 117 LEU  HA    119 GLU  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1670, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 117 LEU  HA    119 GLU  QG       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1677,1678,
 &end
#
# 117 LEU  HA    119 GLU  QG       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1677,1678,
 &end
#
# 117 LEU  HA    119 GLU  QG       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1677,1678,
 &end
#
# 117 LEU  HA    120 VAL  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1685, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 117 LEU  HA    120 VAL  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1685, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 117 LEU  HA    120 VAL  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1685, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 117 LEU  HA    120 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1689, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HA    120 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1689, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HA    120 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1689, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HA    120 VAL  QG1      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1691,1692,1693,
 &end
#
# 117 LEU  HA    120 VAL  QG1      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1691,1692,1693,
 &end
#
# 117 LEU  HA    120 VAL  QG1      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1691,1692,1693,
 &end
#
# 117 LEU  HA    120 VAL  QG2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1695,1696,1697,
 &end
#
# 117 LEU  HA    120 VAL  QG2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1695,1696,1697,
 &end
#
# 117 LEU  HA    120 VAL  QG2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1695,1696,1697,
 &end
#
# 117 LEU  HA    121 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1701, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HA    121 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1701, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HA    121 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1701, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HB2   117 LEU  HB3      3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1644, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 117 LEU  HB2   117 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1648,1649,1650,
 &end
#
# 117 LEU  HB2   117 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1648,1649,1650,
 &end
#
# 117 LEU  HB2   117 LEU  QD1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1648,1649,1650,
 &end
#
# 117 LEU  HB2   117 LEU  QD2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1652,1653,1654,
 &end
#
# 117 LEU  HB2   117 LEU  QD2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1652,1653,1654,
 &end
#
# 117 LEU  HB2   117 LEU  QD2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1652,1653,1654,
 &end
#
# 117 LEU  HB2   118 ASP  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1658, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 117 LEU  HB2   118 ASP  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1658, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 117 LEU  HB2   118 ASP  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1658, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 117 LEU  HB2   119 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1670, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HB2   119 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1670, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HB2   119 GLU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1670, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 117 LEU  HB3   117 LEU  QD1      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1644,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1648,1649,1650,
 &end
#
# 117 LEU  HB3   117 LEU  QD1      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1644,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1648,1649,1650,
 &end
#
# 117 LEU  HB3   117 LEU  QD1      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1644,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1648,1649,1650,
 &end
#
# 117 LEU  HB3   118 ASP  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1658, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 117 LEU  HB3   118 ASP  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1658, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 117 LEU  HB3   118 ASP  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1658, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 117 LEU  HG    117 LEU  QD2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1652,1653,1654,
 &end
#
# 117 LEU  HG    118 ASP  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1646,1658, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
# 117 LEU  HG    118 ASP  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1646,1658, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
# 117 LEU  HG    118 ASP  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1646,1658, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
# 117 LEU  QD1   117 LEU  HG       3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1648,1649,1650,
 &end
#
# 117 LEU  QD1   118 ASP  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1=1648,1649,1650,
 &end
#
# 117 LEU  QD1   118 ASP  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1=1648,1649,1650,
 &end
#
# 117 LEU  QD1   118 ASP  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1=1648,1649,1650,
 &end
#
# 117 LEU  QD1   120 VAL  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1648,1649,1650,
 &end
#
# 117 LEU  QD1   120 VAL  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1648,1649,1650,
 &end
#
# 117 LEU  QD1   120 VAL  HN       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1648,1649,1650,
 &end
#
# 117 LEU  QD2   118 ASP  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1652,1653,1654,
 &end
#
# 117 LEU  QD2   118 ASP  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1652,1653,1654,
 &end
#
# 117 LEU  QD2   118 ASP  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1652,1653,1654,
 &end
#
# 118 ASP  HN    118 ASP  HA       3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1660, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 118 ASP  HN    118 ASP  QB       3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1662,1663,
 &end
#
# 118 ASP  HN    118 ASP  QB       3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1662,1663,
 &end
#
# 118 ASP  HN    118 ASP  QB       3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1662,1663,
 &end
#
# 118 ASP  HN    119 GLU  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1670, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 118 ASP  HN    119 GLU  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1670, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 118 ASP  HN    119 GLU  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1670, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 118 ASP  HN    119 GLU  QG       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1677,1678,
 &end
#
# 118 ASP  HN    119 GLU  QG       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1677,1678,
 &end
#
# 118 ASP  HN    119 GLU  QG       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1677,1678,
 &end
#
# 118 ASP  HN    120 VAL  HN       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1685, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 118 ASP  HN    120 VAL  HN       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1685, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 118 ASP  HN    120 VAL  HN       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1685, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 118 ASP  HN    120 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1695,1696,1697,
 &end
#
# 118 ASP  HN    120 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1695,1696,1697,
 &end
#
# 118 ASP  HN    120 VAL  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1695,1696,1697,
 &end
#
# 118 ASP  HN    121 LYS  HN       5.85
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1701, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
# 118 ASP  HN    121 LYS  HN       5.85
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1701, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
# 118 ASP  HN    121 LYS  HN       5.85
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1701, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
# 118 ASP  HN    121 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1714,1715,
 &end
#
# 118 ASP  HN    121 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1714,1715,
 &end
#
# 118 ASP  HN    121 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1714,1715,
 &end
#
# 118 ASP  HA    118 ASP  QB       3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1662,1663,
 &end
#
# 118 ASP  HA    120 VAL  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1685, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 118 ASP  HA    120 VAL  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1685, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 118 ASP  HA    120 VAL  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1685, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 118 ASP  HA    121 LYS  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1701, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 118 ASP  HA    121 LYS  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1701, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 118 ASP  HA    121 LYS  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1701, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 118 ASP  HA    121 LYS  HG2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1708, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 118 ASP  HA    121 LYS  HG2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1708, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 118 ASP  HA    121 LYS  HG2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1708, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 118 ASP  HA    121 LYS  HG3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1709, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 118 ASP  HA    121 LYS  HG3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1709, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 118 ASP  HA    121 LYS  HG3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1660,1709, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 118 ASP  HA    121 LYS  QB       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1705,1706,
 &end
#
# 118 ASP  HA    121 LYS  QB       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1705,1706,
 &end
#
# 118 ASP  HA    121 LYS  QB       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1705,1706,
 &end
#
# 118 ASP  HA    121 LYS  QD       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1711,1712,
 &end
#
# 118 ASP  HA    121 LYS  QD       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1711,1712,
 &end
#
# 118 ASP  HA    121 LYS  QD       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1711,1712,
 &end
#
# 118 ASP  HA    121 LYS  QE       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1714,1715,
 &end
#
# 118 ASP  HA    121 LYS  QE       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1714,1715,
 &end
#
# 118 ASP  HA    121 LYS  QE       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1714,1715,
 &end
#
# 118 ASP  QB    119 GLU  HN       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1662,1663,
 &end
#
# 118 ASP  QB    119 GLU  HN       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1662,1663,
 &end
#
# 118 ASP  QB    119 GLU  HN       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1662,1663,
 &end
#
# 118 ASP  QB    119 GLU  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1662,1663,
 &end
#
# 118 ASP  QB    119 GLU  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1662,1663,
 &end
#
# 118 ASP  QB    119 GLU  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1662,1663,
 &end
#
# 118 ASP  QB    121 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1662,1663,
 &end
#
# 118 ASP  QB    121 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1662,1663,
 &end
#
# 118 ASP  QB    121 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1662,1663,
 &end
#
# 118 ASP  QB    121 LYS  QD       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1662,1663,
 igr2=1711,1712,
 &end
#
# 118 ASP  QB    121 LYS  QD       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1662,1663,
 igr2=1711,1712,
 &end
#
# 118 ASP  QB    121 LYS  QD       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1662,1663,
 igr2=1711,1712,
 &end
#
# 118 ASP  QB    121 LYS  QE       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1662,1663,
 igr2=1714,1715,
 &end
#
# 118 ASP  QB    121 LYS  QE       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1662,1663,
 igr2=1714,1715,
 &end
#
# 118 ASP  QB    121 LYS  QE       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1662,1663,
 igr2=1714,1715,
 &end
#
# 119 GLU  HN    119 GLU  HA       3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1672, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 119 GLU  HN    119 GLU  HB2      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1674, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 119 GLU  HN    119 GLU  HB3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1675, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 119 GLU  HN    119 GLU  HB3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1675, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 119 GLU  HN    119 GLU  HB3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1675, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 119 GLU  HN    119 GLU  QG       3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2=1677,1678,
 &end
#
# 119 GLU  HN    119 GLU  QG       3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2=1677,1678,
 &end
#
# 119 GLU  HN    119 GLU  QG       3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2=1677,1678,
 &end
#
# 119 GLU  HN    120 VAL  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1685, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 119 GLU  HN    120 VAL  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1685, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 119 GLU  HN    120 VAL  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1685, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 119 GLU  HN    120 VAL  QG1      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1691,1692,1693,
 &end
#
# 119 GLU  HN    120 VAL  QG1      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1691,1692,1693,
 &end
#
# 119 GLU  HN    120 VAL  QG1      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1691,1692,1693,
 &end
#
# 119 GLU  HN    120 VAL  QG2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=1695,1696,1697,
 &end
#
# 119 GLU  HN    120 VAL  QG2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=1695,1696,1697,
 &end
#
# 119 GLU  HN    120 VAL  QG2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=1695,1696,1697,
 &end
#
# 119 GLU  HN    121 LYS  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1701, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 119 GLU  HN    121 LYS  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1701, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 119 GLU  HN    121 LYS  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1701, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 119 GLU  HA    119 GLU  HB2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1674, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 119 GLU  HA    119 GLU  HB3      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1675, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 119 GLU  HA    119 GLU  QG       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1677,1678,
 &end
#
# 119 GLU  HA    119 GLU  QG       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1677,1678,
 &end
#
# 119 GLU  HA    119 GLU  QG       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1677,1678,
 &end
#
# 119 GLU  HA    120 VAL  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1685, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 119 GLU  HA    120 VAL  QG1      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2=1691,1692,1693,
 &end
#
# 119 GLU  HA    120 VAL  QG1      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2=1691,1692,1693,
 &end
#
# 119 GLU  HA    120 VAL  QG1      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2=1691,1692,1693,
 &end
#
# 119 GLU  HA    121 LYS  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1701, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 119 GLU  HA    121 LYS  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1701, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 119 GLU  HA    121 LYS  HN       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1701, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 119 GLU  HA    121 LYS  QE       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1714,1715,
 &end
#
# 119 GLU  HA    121 LYS  QE       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1714,1715,
 &end
#
# 119 GLU  HA    121 LYS  QE       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1714,1715,
 &end
#
# 119 GLU  HB2   120 VAL  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1685, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 119 GLU  HB2   120 VAL  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1685, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 119 GLU  HB2   120 VAL  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1685, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 119 GLU  HB3   119 GLU  QG       3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1675,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1677,1678,
 &end
#
# 119 GLU  HB3   120 VAL  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1685, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 119 GLU  HB3   120 VAL  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1685, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 119 GLU  HB3   120 VAL  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1685, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 119 GLU  HB3   120 VAL  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1687, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 119 GLU  HB3   120 VAL  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1687, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 119 GLU  HB3   120 VAL  HA       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1687, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 120 VAL  HN    120 VAL  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1687, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 120 VAL  HN    120 VAL  HB       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1689, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 120 VAL  HN    120 VAL  QG1      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1691,1692,1693,
 &end
#
# 120 VAL  HN    120 VAL  QG1      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1691,1692,1693,
 &end
#
# 120 VAL  HN    120 VAL  QG1      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1691,1692,1693,
 &end
#
# 120 VAL  HN    120 VAL  QG2      3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1695,1696,1697,
 &end
#
# 120 VAL  HN    120 VAL  QG2      3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1695,1696,1697,
 &end
#
# 120 VAL  HN    120 VAL  QG2      3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1695,1696,1697,
 &end
#
# 120 VAL  HN    121 LYS  HN       3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1701, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 120 VAL  HN    121 LYS  HN       3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1701, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 120 VAL  HN    121 LYS  HN       3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1701, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 120 VAL  HN    121 LYS  HA       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1703, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 120 VAL  HN    121 LYS  HA       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1703, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 120 VAL  HN    121 LYS  HA       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1703, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 120 VAL  HN    121 LYS  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1709, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HN    121 LYS  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1709, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HN    121 LYS  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1709, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HN    121 LYS  QB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1705,1706,
 &end
#
# 120 VAL  HN    121 LYS  QB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1705,1706,
 &end
#
# 120 VAL  HN    121 LYS  QB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1705,1706,
 &end
#
# 120 VAL  HN    121 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1714,1715,
 &end
#
# 120 VAL  HN    121 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1714,1715,
 &end
#
# 120 VAL  HN    121 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1714,1715,
 &end
#
# 120 VAL  HN    122 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1723, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HN    122 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1723, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HN    122 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1723, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HN    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 120 VAL  HN    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 120 VAL  HN    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 120 VAL  HA    120 VAL  HB       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1689, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 120 VAL  HA    120 VAL  QG1      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1691,1692,1693,
 &end
#
# 120 VAL  HA    120 VAL  QG1      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1691,1692,1693,
 &end
#
# 120 VAL  HA    120 VAL  QG1      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1691,1692,1693,
 &end
#
# 120 VAL  HA    121 LYS  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1701, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 120 VAL  HA    123 LYS  HB2      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1739, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 120 VAL  HA    123 LYS  HB2      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1739, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 120 VAL  HA    123 LYS  HB2      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1739, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 120 VAL  HA    123 LYS  HE3      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1749, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
# 120 VAL  HA    123 LYS  HE3      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1749, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
# 120 VAL  HA    123 LYS  HE3      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1749, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
# 120 VAL  HA    123 LYS  HG3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1743, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 120 VAL  HA    123 LYS  HG3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1743, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 120 VAL  HA    123 LYS  HG3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1743, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 120 VAL  HB    121 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1701, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HB    121 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1701, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HB    121 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1701, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HB    123 LYS  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1735, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 120 VAL  HB    123 LYS  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1735, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 120 VAL  HB    123 LYS  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1735, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 120 VAL  HB    153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1689,2151, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HB    153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1689,2151, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HB    153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1689,2151, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 120 VAL  HB    153 ILE  QD1      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=2164,2165,2166,
 &end
#
# 120 VAL  HB    153 ILE  QD1      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=2164,2165,2166,
 &end
#
# 120 VAL  HB    153 ILE  QD1      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=2164,2165,2166,
 &end
#
# 120 VAL  HB    153 ILE  QG2      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=2157,2158,2159,
 &end
#
# 120 VAL  HB    153 ILE  QG2      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=2157,2158,2159,
 &end
#
# 120 VAL  HB    153 ILE  QG2      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=2157,2158,2159,
 &end
#
# 120 VAL  QG1   120 VAL  HB       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   120 VAL  QG2      3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1691,1692,1693,
 igr2=1695,1696,1697,
 &end
#
# 120 VAL  QG1   121 LYS  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   121 LYS  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   121 LYS  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   122 ASP  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   122 ASP  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   122 ASP  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   123 LYS  HE2      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   123 LYS  HE2      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   123 LYS  HE2      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   123 LYS  HE3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   123 LYS  HE3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG1   123 LYS  HE3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1691,1692,1693,
 &end
#
# 120 VAL  QG2   120 VAL  HB       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1695,1696,1697,
 &end
#
# 120 VAL  QG2   121 LYS  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1695,1696,1697,
 &end
#
# 120 VAL  QG2   121 LYS  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1695,1696,1697,
 &end
#
# 120 VAL  QG2   121 LYS  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1695,1696,1697,
 &end
#
# 120 VAL  QG2   153 ILE  QD1      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1695,1696,1697,
 igr2=2164,2165,2166,
 &end
#
# 120 VAL  QG2   153 ILE  QD1      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1695,1696,1697,
 igr2=2164,2165,2166,
 &end
#
# 120 VAL  QG2   153 ILE  QD1      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1695,1696,1697,
 igr2=2164,2165,2166,
 &end
#
# 121 LYS  HN    121 LYS  HA       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1703, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 121 LYS  HN    121 LYS  HG2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 121 LYS  HN    121 LYS  HG2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 121 LYS  HN    121 LYS  HG2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 121 LYS  HN    121 LYS  HG3      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1709, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 121 LYS  HN    121 LYS  HG3      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1709, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 121 LYS  HN    121 LYS  HG3      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1709, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 121 LYS  HN    121 LYS  QB       3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1705,1706,
 &end
#
# 121 LYS  HN    121 LYS  QB       3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1705,1706,
 &end
#
# 121 LYS  HN    121 LYS  QB       3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1705,1706,
 &end
#
# 121 LYS  HN    121 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1714,1715,
 &end
#
# 121 LYS  HN    121 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1714,1715,
 &end
#
# 121 LYS  HN    121 LYS  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1714,1715,
 &end
#
# 121 LYS  HN    122 ASP  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1723, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 121 LYS  HN    122 ASP  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1723, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 121 LYS  HN    122 ASP  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1723, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 121 LYS  HN    123 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1735, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HN    123 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1735, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HN    123 LYS  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1735, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HN    123 LYS  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1743, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HN    123 LYS  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1743, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HN    123 LYS  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1743, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HN    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 121 LYS  HN    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 121 LYS  HN    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 121 LYS  HA    121 LYS  HG2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1708, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 121 LYS  HA    121 LYS  HG3      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1709, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 121 LYS  HA    121 LYS  QB       3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1703,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1705,1706,
 &end
#
# 121 LYS  HA    122 ASP  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1723, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 121 LYS  HA    122 ASP  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1723, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 121 LYS  HA    122 ASP  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1723, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 121 LYS  HA    123 LYS  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1735, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 121 LYS  HA    123 LYS  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1735, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 121 LYS  HA    123 LYS  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1735, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 121 LYS  HA    153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1703,2151, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HA    153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1703,2151, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HA    153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1703,2151, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HA    153 ILE  QG2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1703,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=2157,2158,2159,
 &end
#
# 121 LYS  HA    153 ILE  QG2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1703,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=2157,2158,2159,
 &end
#
# 121 LYS  HA    153 ILE  QG2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1703,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=2157,2158,2159,
 &end
#
# 121 LYS  HG2   121 LYS  QE       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1708,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1714,1715,
 &end
#
# 121 LYS  HG2   122 ASP  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1723, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 121 LYS  HG2   122 ASP  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1723, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 121 LYS  HG2   122 ASP  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1723, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 121 LYS  HG2   122 ASP  HB2      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1727, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 121 LYS  HG2   122 ASP  HB2      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1727, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 121 LYS  HG2   122 ASP  HB2      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1727, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 121 LYS  HG2   122 ASP  HB3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1728, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
# 121 LYS  HG2   122 ASP  HB3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1728, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
# 121 LYS  HG2   122 ASP  HB3      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1708,1728, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
# 121 LYS  HG3   121 LYS  HG2      3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1709,1708, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 121 LYS  HG3   121 LYS  QE       3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1709,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1714,1715,
 &end
#
# 121 LYS  HG3   121 LYS  QE       3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1709,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1714,1715,
 &end
#
# 121 LYS  HG3   121 LYS  QE       3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1709,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1714,1715,
 &end
#
# 121 LYS  HG3   122 ASP  HN       5.96
 &rst
  ixpk= 0, nxpk= 0, iat=1709,1723, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
# 121 LYS  HG3   122 ASP  HN       5.96
 &rst
  ixpk= 0, nxpk= 0, iat=1709,1723, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
# 121 LYS  HG3   122 ASP  HN       5.96
 &rst
  ixpk= 0, nxpk= 0, iat=1709,1723, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
# 121 LYS  HG3   122 ASP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1709,1727, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HG3   122 ASP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1709,1727, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HG3   122 ASP  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1709,1727, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 121 LYS  HG3   122 ASP  HB3      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1709,1728, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 121 LYS  HG3   122 ASP  HB3      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1709,1728, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 121 LYS  HG3   122 ASP  HB3      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1709,1728, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 121 LYS  QB    121 LYS  HG2      2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1=1705,1706,
 &end
#
# 121 LYS  QB    121 LYS  HG2      2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1=1705,1706,
 &end
#
# 121 LYS  QB    121 LYS  HG2      2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1=1705,1706,
 &end
#
# 121 LYS  QB    121 LYS  QE       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1705,1706,
 igr2=1714,1715,
 &end
#
# 121 LYS  QB    121 LYS  QE       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1705,1706,
 igr2=1714,1715,
 &end
#
# 121 LYS  QB    121 LYS  QE       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1705,1706,
 igr2=1714,1715,
 &end
#
# 121 LYS  QB    122 ASP  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1705,1706,
 &end
#
# 121 LYS  QB    122 ASP  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1705,1706,
 &end
#
# 121 LYS  QB    122 ASP  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1705,1706,
 &end
#
# 121 LYS  QD    121 LYS  QE       3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1=1711,1712,
 igr2=1714,1715,
 &end
#
# 121 LYS  QD    121 LYS  QE       3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1=1711,1712,
 igr2=1714,1715,
 &end
#
# 121 LYS  QD    121 LYS  QE       3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1=1711,1712,
 igr2=1714,1715,
 &end
#
# 121 LYS  QD    122 ASP  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1711,1712,
 &end
#
# 121 LYS  QD    122 ASP  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1711,1712,
 &end
#
# 121 LYS  QD    122 ASP  HN       6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1711,1712,
 &end
#
# 121 LYS  QE    122 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1714,1715,
 &end
#
# 121 LYS  QE    122 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1714,1715,
 &end
#
# 121 LYS  QE    122 ASP  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1714,1715,
 &end
#
# 122 ASP  HN    122 ASP  HA       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1725, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 122 ASP  HN    122 ASP  HB2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1727, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 122 ASP  HN    122 ASP  HB2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1727, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 122 ASP  HN    122 ASP  HB2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1727, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 122 ASP  HN    122 ASP  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1728, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 122 ASP  HN    122 ASP  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1728, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 122 ASP  HN    122 ASP  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1728, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 122 ASP  HN    123 LYS  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1735, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 122 ASP  HN    123 LYS  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1735, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 122 ASP  HN    123 LYS  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1735, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 122 ASP  HN    123 LYS  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1737, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 122 ASP  HN    123 LYS  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1737, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 122 ASP  HN    123 LYS  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1737, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 122 ASP  HN    123 LYS  HB2      5.96
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1739, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
# 122 ASP  HN    123 LYS  HB2      5.96
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1739, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
# 122 ASP  HN    123 LYS  HB2      5.96
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1739, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
# 122 ASP  HN    123 LYS  HG2      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1742, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
# 122 ASP  HN    123 LYS  HG2      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1742, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
# 122 ASP  HN    123 LYS  HG2      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1742, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
# 122 ASP  HN    123 LYS  HG3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1743, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 122 ASP  HN    123 LYS  HG3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1743, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 122 ASP  HN    123 LYS  HG3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1743, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 122 ASP  HN    123 LYS  QD       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1745,1746,
 &end
#
# 122 ASP  HN    123 LYS  QD       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1745,1746,
 &end
#
# 122 ASP  HN    123 LYS  QD       5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1745,1746,
 &end
#
# 122 ASP  HN    153 ILE  HB       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1723,2155, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 122 ASP  HN    153 ILE  HB       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1723,2155, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 122 ASP  HN    153 ILE  HB       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1723,2155, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 122 ASP  HN    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 122 ASP  HN    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 122 ASP  HN    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 122 ASP  HN    153 ILE  QG2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=2157,2158,2159,
 &end
#
# 122 ASP  HN    153 ILE  QG2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=2157,2158,2159,
 &end
#
# 122 ASP  HN    153 ILE  QG2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=2157,2158,2159,
 &end
#
# 122 ASP  HA    122 ASP  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1727, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 122 ASP  HA    122 ASP  HB3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1728, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 122 ASP  HA    123 LYS  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1735, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 122 ASP  HA    123 LYS  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1735, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 122 ASP  HA    123 LYS  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1735, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 122 ASP  HB2   123 LYS  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1727,1735, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 122 ASP  HB2   123 LYS  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1727,1735, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 122 ASP  HB2   123 LYS  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1727,1735, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 122 ASP  HB3   122 ASP  HB2      2.93
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1727, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 122 ASP  HB3   123 LYS  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1735, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 122 ASP  HB3   123 LYS  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1735, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 122 ASP  HB3   123 LYS  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1735, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 123 LYS  HN    123 LYS  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1737, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 123 LYS  HN    123 LYS  HB2      3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1739, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 123 LYS  HN    123 LYS  HB2      3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1739, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 123 LYS  HN    123 LYS  HB2      3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1739, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 123 LYS  HN    123 LYS  HB3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1740, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 123 LYS  HN    123 LYS  HB3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1740, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 123 LYS  HN    123 LYS  HB3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1740, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 123 LYS  HN    123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HN    123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HN    123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HN    123 LYS  HG2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1742, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 123 LYS  HN    123 LYS  HG2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1742, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 123 LYS  HN    123 LYS  HG2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1742, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 123 LYS  HN    123 LYS  HG3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1743, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 123 LYS  HN    123 LYS  HG3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1743, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 123 LYS  HN    123 LYS  HG3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1743, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 123 LYS  HN    123 LYS  QD       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1745,1746,
 &end
#
# 123 LYS  HN    123 LYS  QD       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1745,1746,
 &end
#
# 123 LYS  HN    123 LYS  QD       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1745,1746,
 &end
#
# 123 LYS  HN    124 ALA  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1757, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 123 LYS  HN    124 ALA  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1757, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 123 LYS  HN    124 ALA  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1757, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 123 LYS  HN    124 ALA  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1757, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 123 LYS  HN    125 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1776,1777,1778,
 &end
#
# 123 LYS  HN    125 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1776,1777,1778,
 &end
#
# 123 LYS  HN    125 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1776,1777,1778,
 &end
#
# 123 LYS  HN    152 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HN    152 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HN    152 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HN    152 VAL  QG1      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=2141,2142,2143,
 &end
#
# 123 LYS  HN    152 VAL  QG1      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=2141,2142,2143,
 &end
#
# 123 LYS  HN    152 VAL  QG1      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=2141,2142,2143,
 &end
#
# 123 LYS  HN    153 ILE  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2151, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 123 LYS  HN    153 ILE  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2151, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 123 LYS  HN    153 ILE  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2151, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 123 LYS  HN    153 ILE  HB       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2155, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 123 LYS  HN    153 ILE  HB       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2155, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 123 LYS  HN    153 ILE  HB       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2155, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 123 LYS  HN    153 ILE  HG12     5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2161, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 123 LYS  HN    153 ILE  HG12     5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2161, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 123 LYS  HN    153 ILE  HG12     5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1735,2161, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 123 LYS  HN    153 ILE  QD1      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=2164,2165,2166,
 &end
#
# 123 LYS  HN    153 ILE  QD1      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=2164,2165,2166,
 &end
#
# 123 LYS  HN    153 ILE  QD1      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=2164,2165,2166,
 &end
#
# 123 LYS  HN    153 ILE  QG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=2157,2158,2159,
 &end
#
# 123 LYS  HN    153 ILE  QG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=2157,2158,2159,
 &end
#
# 123 LYS  HN    153 ILE  QG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=2157,2158,2159,
 &end
#
# 123 LYS  HA    123 LYS  HB2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1739, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 123 LYS  HA    123 LYS  HB3      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1740, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 123 LYS  HA    123 LYS  HG2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1742, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 123 LYS  HA    123 LYS  HG2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1742, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 123 LYS  HA    123 LYS  HG2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1742, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 123 LYS  HA    123 LYS  HG3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1743, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 123 LYS  HA    123 LYS  HG3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1743, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 123 LYS  HA    123 LYS  HG3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1743, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 123 LYS  HA    123 LYS  QD       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1737,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1745,1746,
 &end
#
# 123 LYS  HA    123 LYS  QD       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1737,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1745,1746,
 &end
#
# 123 LYS  HA    123 LYS  QD       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1737,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1745,1746,
 &end
#
# 123 LYS  HA    124 ALA  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1757, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 123 LYS  HA    124 ALA  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1757, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 123 LYS  HA    124 ALA  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1757, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 123 LYS  HA    124 ALA  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1757, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 123 LYS  HB2   123 LYS  HG3      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1743, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 123 LYS  HB2   124 ALA  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1757, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 123 LYS  HB2   124 ALA  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1757, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 123 LYS  HB2   124 ALA  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1757, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 123 LYS  HB2   124 ALA  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1757, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 123 LYS  HB2   125 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1767, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HB2   125 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1767, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HB2   125 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1767, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HB3   123 LYS  HE2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1740,1748, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 123 LYS  HB3   123 LYS  HE2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1740,1748, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 123 LYS  HB3   123 LYS  HE2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1740,1748, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 123 LYS  HB3   123 LYS  HG3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1740,1743, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 123 LYS  HB3   123 LYS  QD       2.96
 &rst
  ixpk= 0, nxpk= 0, iat=1740,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=1745,1746,
 &end
#
# 123 LYS  HB3   123 LYS  QD       2.96
 &rst
  ixpk= 0, nxpk= 0, iat=1740,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=1745,1746,
 &end
#
# 123 LYS  HB3   123 LYS  QD       2.96
 &rst
  ixpk= 0, nxpk= 0, iat=1740,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=1745,1746,
 &end
#
# 123 LYS  HB3   124 ALA  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1740,1757, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 123 LYS  HB3   124 ALA  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1740,1757, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 123 LYS  HB3   124 ALA  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1740,1757, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 123 LYS  HE2   123 LYS  HE3      3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1749, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 123 LYS  HE2   124 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1757, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HE2   124 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1757, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HE2   124 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1757, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  HG2   123 LYS  HE2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1742,1748, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 123 LYS  HG2   123 LYS  HE2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1742,1748, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 123 LYS  HG2   123 LYS  HE2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1742,1748, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 123 LYS  HG2   123 LYS  HE3      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1742,1749, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 123 LYS  HG3   123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1743,1748, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 123 LYS  QD    123 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1745,1746,
 &end
#
# 123 LYS  QD    124 ALA  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1745,1746,
 &end
#
# 123 LYS  QD    124 ALA  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1745,1746,
 &end
#
# 123 LYS  QD    124 ALA  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1745,1746,
 &end
#
# 124 ALA  HN    124 ALA  HA       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1757,1759, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 124 ALA  HN    124 ALA  QB       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1761,1762,1763,
 &end
#
# 124 ALA  HN    124 ALA  QB       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1761,1762,1763,
 &end
#
# 124 ALA  HN    124 ALA  QB       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1761,1762,1763,
 &end
#
# 124 ALA  HN    125 LEU  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1757,1767, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 124 ALA  HN    125 LEU  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1757,1767, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 124 ALA  HN    125 LEU  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1757,1767, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 124 ALA  HN    125 LEU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1757,1767, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 124 ALA  HN    152 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1757,2137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 124 ALA  HN    152 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1757,2137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 124 ALA  HN    152 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1757,2137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 124 ALA  HN    153 ILE  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1757,2151, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 124 ALA  HN    153 ILE  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1757,2151, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 124 ALA  HN    153 ILE  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1757,2151, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 124 ALA  HN    153 ILE  QD1      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2=2164,2165,2166,
 &end
#
# 124 ALA  HN    153 ILE  QD1      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2=2164,2165,2166,
 &end
#
# 124 ALA  HN    153 ILE  QD1      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2=2164,2165,2166,
 &end
#
# 124 ALA  HA    125 LEU  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1767, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 124 ALA  HA    125 LEU  HN       3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1767, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 124 ALA  HA    125 LEU  HN       3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1767, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 124 ALA  HA    125 LEU  HN       3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1767, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 124 ALA  HA    125 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1776,1777,1778,
 &end
#
# 124 ALA  HA    125 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1776,1777,1778,
 &end
#
# 124 ALA  HA    125 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1776,1777,1778,
 &end
#
# 124 ALA  HA    126 MET  QE       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1797,1798,1799,
 &end
#
# 124 ALA  HA    126 MET  QE       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1797,1798,1799,
 &end
#
# 124 ALA  HA    126 MET  QE       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1797,1798,1799,
 &end
#
# 124 ALA  HA    152 VAL  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1759,2135, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 124 ALA  HA    152 VAL  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1759,2135, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 124 ALA  HA    152 VAL  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1759,2135, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 124 ALA  HA    152 VAL  HA       3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1759,2137, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 124 ALA  HA    152 VAL  HA       3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1759,2137, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 124 ALA  HA    152 VAL  HA       3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1759,2137, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 124 ALA  HA    152 VAL  QG1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=2141,2142,2143,
 &end
#
# 124 ALA  HA    152 VAL  QG1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=2141,2142,2143,
 &end
#
# 124 ALA  HA    152 VAL  QG1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=2141,2142,2143,
 &end
#
# 124 ALA  HA    152 VAL  QG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=2145,2146,2147,
 &end
#
# 124 ALA  HA    152 VAL  QG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=2145,2146,2147,
 &end
#
# 124 ALA  HA    152 VAL  QG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=2145,2146,2147,
 &end
#
# 124 ALA  HA    153 ILE  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1759,2151, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 124 ALA  HA    153 ILE  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1759,2151, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 124 ALA  HA    153 ILE  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1759,2151, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 124 ALA  QB    125 LEU  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    124 ALA  HA       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1759, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    125 LEU  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    125 LEU  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    125 LEU  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    126 MET  QE       3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1761,1762,1763,
 igr2=1797,1798,1799,
 &end
#
# 124 ALA  QB    126 MET  QE       3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1761,1762,1763,
 igr2=1797,1798,1799,
 &end
#
# 124 ALA  QB    126 MET  QE       3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1761,1762,1763,
 igr2=1797,1798,1799,
 &end
#
# 124 ALA  QB    151 GLY  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    151 GLY  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    151 GLY  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    152 VAL  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    152 VAL  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    152 VAL  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    152 VAL  HA       4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    152 VAL  HA       4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    152 VAL  HA       4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    152 VAL  QG1      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=1761,1762,1763,
 igr2=2141,2142,2143,
 &end
#
# 124 ALA  QB    152 VAL  QG1      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=1761,1762,1763,
 igr2=2141,2142,2143,
 &end
#
# 124 ALA  QB    152 VAL  QG1      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=1761,1762,1763,
 igr2=2141,2142,2143,
 &end
#
# 124 ALA  QB    153 ILE  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    153 ILE  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1761,1762,1763,
 &end
#
# 124 ALA  QB    153 ILE  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1761,1762,1763,
 &end
#
# 125 LEU  HN    125 LEU  HA       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1769, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 125 LEU  HN    125 LEU  HB2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1771, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 125 LEU  HN    125 LEU  HB2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1771, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 125 LEU  HN    125 LEU  HB2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1771, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 125 LEU  HN    125 LEU  HB3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1772, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 125 LEU  HN    125 LEU  HB3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1772, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 125 LEU  HN    125 LEU  HB3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1772, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 125 LEU  HN    125 LEU  HG       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1774, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 125 LEU  HN    125 LEU  HG       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1774, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 125 LEU  HN    125 LEU  HG       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1774, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 125 LEU  HN    125 LEU  QD1      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1776,1777,1778,
 &end
#
# 125 LEU  HN    125 LEU  QD1      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1776,1777,1778,
 &end
#
# 125 LEU  HN    125 LEU  QD1      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1776,1777,1778,
 &end
#
# 125 LEU  HN    125 LEU  QD2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1780,1781,1782,
 &end
#
# 125 LEU  HN    125 LEU  QD2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1780,1781,1782,
 &end
#
# 125 LEU  HN    125 LEU  QD2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1780,1781,1782,
 &end
#
# 125 LEU  HN    126 MET  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1786, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 125 LEU  HN    126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 125 LEU  HN    126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 125 LEU  HN    126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 125 LEU  HN    150 CYX  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2120, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 125 LEU  HN    150 CYX  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2120, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 125 LEU  HN    150 CYX  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2120, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 125 LEU  HN    151 GLY  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2128, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 125 LEU  HN    151 GLY  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2128, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 125 LEU  HN    151 GLY  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2128, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 125 LEU  HN    151 GLY  HA3      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2131, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 125 LEU  HN    151 GLY  HA3      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2131, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 125 LEU  HN    151 GLY  HA3      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2131, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 125 LEU  HN    152 VAL  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2135, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 125 LEU  HN    152 VAL  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2135, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 125 LEU  HN    152 VAL  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2135, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 125 LEU  HN    152 VAL  HA       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2137, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 125 LEU  HN    152 VAL  HA       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2137, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 125 LEU  HN    152 VAL  HA       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2137, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 125 LEU  HN    152 VAL  QG1      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=2141,2142,2143,
 &end
#
# 125 LEU  HN    152 VAL  QG1      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=2141,2142,2143,
 &end
#
# 125 LEU  HN    152 VAL  QG1      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=2141,2142,2143,
 &end
#
# 125 LEU  HN    152 VAL  QG2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=2145,2146,2147,
 &end
#
# 125 LEU  HN    152 VAL  QG2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=2145,2146,2147,
 &end
#
# 125 LEU  HN    152 VAL  QG2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=2145,2146,2147,
 &end
#
# 125 LEU  HN    153 ILE  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125 LEU  HN    153 ILE  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125 LEU  HN    153 ILE  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125 LEU  HN    153 ILE  HG12     4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2161, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 125 LEU  HN    153 ILE  HG12     4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2161, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 125 LEU  HN    153 ILE  HG12     4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1767,2161, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 125 LEU  HN    153 ILE  QD1      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=2164,2165,2166,
 &end
#
# 125 LEU  HN    153 ILE  QD1      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=2164,2165,2166,
 &end
#
# 125 LEU  HN    153 ILE  QD1      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=2164,2165,2166,
 &end
#
# 125 LEU  HA    125 LEU  HB2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1771, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 125 LEU  HA    125 LEU  HB3      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1772, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 125 LEU  HA    125 LEU  HG       6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1774, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 125 LEU  HA    125 LEU  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1776,1777,1778,
 &end
#
# 125 LEU  HA    125 LEU  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1776,1777,1778,
 &end
#
# 125 LEU  HA    125 LEU  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1776,1777,1778,
 &end
#
# 125 LEU  HA    125 LEU  QD2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1780,1781,1782,
 &end
#
# 125 LEU  HA    125 LEU  QD2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1780,1781,1782,
 &end
#
# 125 LEU  HA    125 LEU  QD2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1780,1781,1782,
 &end
#
# 125 LEU  HA    126 MET  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1786, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 125 LEU  HA    126 MET  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1786, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 125 LEU  HA    126 MET  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1786, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 125 LEU  HA    126 MET  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1786, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 125 LEU  HA    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 125 LEU  HA    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 125 LEU  HA    153 ILE  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2164,2165,2166,
 &end
#
# 125 LEU  HB2   125 LEU  QD2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1771,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1780,1781,1782,
 &end
#
# 125 LEU  HB2   125 LEU  QD2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1771,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1780,1781,1782,
 &end
#
# 125 LEU  HB2   125 LEU  QD2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1771,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1780,1781,1782,
 &end
#
# 125 LEU  HB2   126 MET  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1771,1786, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 125 LEU  HB2   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1771,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 125 LEU  HB2   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1771,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 125 LEU  HB2   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1771,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 125 LEU  HB2   151 GLY  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1771,2128, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 125 LEU  HB2   151 GLY  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1771,2128, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 125 LEU  HB2   151 GLY  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1771,2128, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 125 LEU  HB3   125 LEU  HB2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1772,1771, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 125 LEU  HB3   125 LEU  QD2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1772,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1780,1781,1782,
 &end
#
# 125 LEU  HB3   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1772,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 125 LEU  HB3   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1772,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 125 LEU  HB3   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1772,1786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 125 LEU  HB3   151 GLY  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=1772,2128, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
# 125 LEU  HB3   151 GLY  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=1772,2128, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
# 125 LEU  HB3   151 GLY  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=1772,2128, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
# 125 LEU  HG    126 MET  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1774,1786, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 125 LEU  HG    126 MET  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1774,1786, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 125 LEU  HG    126 MET  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=1774,1786, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 125 LEU  QD1   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1776,1777,1778,
 &end
#
# 125 LEU  QD1   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1776,1777,1778,
 &end
#
# 125 LEU  QD1   126 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1776,1777,1778,
 &end
#
# 125 LEU  QD1   151 GLY  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1=1776,1777,1778,
 &end
#
# 125 LEU  QD1   151 GLY  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1=1776,1777,1778,
 &end
#
# 125 LEU  QD1   151 GLY  HN       6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1=1776,1777,1778,
 &end
#
# 125 LEU  QD1   152 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1776,1777,1778,
 &end
#
# 125 LEU  QD1   152 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1776,1777,1778,
 &end
#
# 125 LEU  QD1   152 VAL  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1776,1777,1778,
 &end
#
# 125 LEU  QD2   125 LEU  HG       3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1780,1781,1782,
 &end
#
# 125 LEU  QD2   125 LEU  QD1      3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=1780,1781,1782,
 igr2=1776,1777,1778,
 &end
#
# 125 LEU  QD2   151 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1780,1781,1782,
 &end
#
# 125 LEU  QD2   151 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1780,1781,1782,
 &end
#
# 125 LEU  QD2   151 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1780,1781,1782,
 &end
#
# 125 LEU  QD2   151 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2131, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1780,1781,1782,
 &end
#
# 125 LEU  QD2   151 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2131, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1780,1781,1782,
 &end
#
# 125 LEU  QD2   151 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2131, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1780,1781,1782,
 &end
#
# 125 LEU  QD2   153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1780,1781,1782,
 &end
#
# 125 LEU  QD2   153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1780,1781,1782,
 &end
#
# 125 LEU  QD2   153 ILE  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1780,1781,1782,
 &end
#
# 125 LEU  QD2   153 ILE  QD1      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1780,1781,1782,
 igr2=2164,2165,2166,
 &end
#
# 125 LEU  QD2   153 ILE  QD1      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1780,1781,1782,
 igr2=2164,2165,2166,
 &end
#
# 125 LEU  QD2   153 ILE  QD1      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1780,1781,1782,
 igr2=2164,2165,2166,
 &end
#
# 126 MET  HN    126 MET  HA       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1788, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 126 MET  HN    126 MET  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1790, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 126 MET  HN    126 MET  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1790, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 126 MET  HN    126 MET  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1790, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 126 MET  HN    126 MET  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1791, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 126 MET  HN    126 MET  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1791, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 126 MET  HN    126 MET  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1791, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 126 MET  HN    126 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1793, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HN    126 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1793, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HN    126 MET  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1793, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HN    126 MET  QE       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1797,1798,1799,
 &end
#
# 126 MET  HN    126 MET  QE       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1797,1798,1799,
 &end
#
# 126 MET  HN    126 MET  QE       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1797,1798,1799,
 &end
#
# 126 MET  HN    127 ILE  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1803, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 126 MET  HN    127 ILE  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1803, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 126 MET  HN    127 ILE  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1803, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 126 MET  HN    127 ILE  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1803, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 126 MET  HN    150 CYX  HA       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1786,2120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 126 MET  HN    150 CYX  HA       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1786,2120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 126 MET  HN    150 CYX  HA       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1786,2120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 126 MET  HA    126 MET  HB2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1790, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 126 MET  HA    126 MET  HB3      5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1791, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 126 MET  HA    126 MET  HG2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1793, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 126 MET  HA    126 MET  HG2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1793, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 126 MET  HA    126 MET  HG2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1793, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 126 MET  HA    126 MET  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 126 MET  HA    127 ILE  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1803, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 126 MET  HA    127 ILE  HN       3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1803, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 126 MET  HA    127 ILE  HN       3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1803, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 126 MET  HA    127 ILE  HN       3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1803, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 126 MET  HA    127 ILE  HB       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1807, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 126 MET  HA    127 ILE  HB       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1807, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 126 MET  HA    127 ILE  HB       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1807, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 126 MET  HA    127 ILE  HG12     5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1813, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 126 MET  HA    127 ILE  HG12     5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1813, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 126 MET  HA    127 ILE  HG12     5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1813, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 126 MET  HA    127 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1814, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HA    127 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1814, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HA    127 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1814, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HA    150 CYX  HA       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1788,2120, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 126 MET  HA    150 CYX  HA       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1788,2120, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 126 MET  HA    150 CYX  HA       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1788,2120, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 126 MET  HA    150 CYX  HB2      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1788,2123, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 126 MET  HA    150 CYX  HB2      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1788,2123, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 126 MET  HA    150 CYX  HB2      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1788,2123, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 126 MET  HB2   126 MET  HB3      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 126 MET  HB2   126 MET  HG2      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1793, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 126 MET  HB2   126 MET  HG3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1794, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 126 MET  HB2   126 MET  QE       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1790,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1797,1798,1799,
 &end
#
# 126 MET  HB2   126 MET  QE       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1790,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1797,1798,1799,
 &end
#
# 126 MET  HB2   126 MET  QE       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1790,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1797,1798,1799,
 &end
#
# 126 MET  HB2   127 ILE  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1803, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 126 MET  HB2   127 ILE  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1803, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 126 MET  HB2   127 ILE  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1803, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 126 MET  HB2   127 ILE  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1803, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 126 MET  HB2   127 ILE  HA       5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1805, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 126 MET  HB2   127 ILE  HA       5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1805, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 126 MET  HB2   127 ILE  HA       5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1805, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 126 MET  HB2   148 TYR  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1790,2087, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 126 MET  HB2   148 TYR  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1790,2087, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 126 MET  HB2   148 TYR  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1790,2087, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 126 MET  HB2   149 ALA  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1790,2108, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 126 MET  HB2   149 ALA  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1790,2108, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 126 MET  HB2   149 ALA  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1790,2108, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 126 MET  HB3   126 MET  HG2      5.67
 &rst
  ixpk= 0, nxpk= 0, iat=1791,1793, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
# 126 MET  HB3   150 CYX  HA       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1791,2120, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 126 MET  HB3   150 CYX  HA       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1791,2120, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 126 MET  HB3   150 CYX  HA       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1791,2120, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 126 MET  HG2   126 MET  QE       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1793,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1797,1798,1799,
 &end
#
# 126 MET  HG2   126 MET  QE       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1793,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1797,1798,1799,
 &end
#
# 126 MET  HG2   126 MET  QE       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1793,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1797,1798,1799,
 &end
#
# 126 MET  HG2   149 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1793,2108, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG2   149 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1793,2108, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG2   149 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1793,2108, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG2   150 CYX  HA       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1793,2120, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 126 MET  HG2   150 CYX  HA       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1793,2120, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 126 MET  HG2   150 CYX  HA       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1793,2120, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 126 MET  HG2   150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1793,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG2   150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1793,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG2   150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1793,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG3   127 ILE  HN       5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1803, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 126 MET  HG3   127 ILE  HN       5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1803, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 126 MET  HG3   127 ILE  HN       5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1803, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 126 MET  HG3   150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1794,2118, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG3   150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1794,2118, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG3   150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1794,2118, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG3   150 CYX  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1794,2120, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG3   150 CYX  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1794,2120, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG3   150 CYX  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1794,2120, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 126 MET  HG3   150 CYX  HB2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1794,2123, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 126 MET  HG3   150 CYX  HB2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1794,2123, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 126 MET  HG3   150 CYX  HB2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1794,2123, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 126 MET  QE    150 CYX  HA       5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1797,1798,1799,
 &end
#
# 126 MET  QE    150 CYX  HA       5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1797,1798,1799,
 &end
#
# 126 MET  QE    150 CYX  HA       5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1797,1798,1799,
 &end
#
# 127 ILE  HN    127 ILE  HA       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1805, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 127 ILE  HN    127 ILE  HB       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1807, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 127 ILE  HN    127 ILE  HB       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1807, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 127 ILE  HN    127 ILE  HB       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1807, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 127 ILE  HN    127 ILE  HG12     4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1813, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 127 ILE  HN    127 ILE  HG12     4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1813, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 127 ILE  HN    127 ILE  HG12     4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1813, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 127 ILE  HN    127 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1814, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HN    127 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1814, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HN    127 ILE  HG13     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1814, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HN    127 ILE  QD1      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HN    127 ILE  QD1      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HN    127 ILE  QD1      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HN    127 ILE  QG2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1809,1810,1811,
 &end
#
# 127 ILE  HN    127 ILE  QG2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1809,1810,1811,
 &end
#
# 127 ILE  HN    127 ILE  QG2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1809,1810,1811,
 &end
#
# 127 ILE  HN    128 HID  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1822, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 127 ILE  HN    128 HID  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1822, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 127 ILE  HN    128 HID  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1803,1822, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 127 ILE  HN    148 TYR  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2087, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 127 ILE  HN    148 TYR  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2087, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 127 ILE  HN    148 TYR  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2087, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 127 ILE  HN    149 ALA  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2108, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 127 ILE  HN    149 ALA  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2108, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 127 ILE  HN    149 ALA  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2108, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 127 ILE  HN    150 CYX  HA       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2120, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 127 ILE  HN    150 CYX  HA       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2120, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 127 ILE  HN    150 CYX  HA       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2120, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 127 ILE  HN    150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HN    150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HN    150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HN    151 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2128, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HN    151 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2128, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HN    151 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1803,2128, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HA    127 ILE  HB       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1807, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 127 ILE  HA    127 ILE  HG12     5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1813, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 127 ILE  HA    127 ILE  HG13     4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1814, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 127 ILE  HA    127 ILE  QD1      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HA    127 ILE  QD1      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HA    127 ILE  QD1      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HA    127 ILE  QG2      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1809,1810,1811,
 &end
#
# 127 ILE  HA    127 ILE  QG2      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1809,1810,1811,
 &end
#
# 127 ILE  HA    127 ILE  QG2      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1809,1810,1811,
 &end
#
# 127 ILE  HA    128 HID  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1822, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 127 ILE  HA    128 HID  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1822, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 127 ILE  HA    128 HID  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1805,1822, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 127 ILE  HB    127 ILE  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HB    127 ILE  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HB    127 ILE  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HB    128 HID  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1807,1822, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HB    128 HID  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1807,1822, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HB    128 HID  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1807,1822, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HB    148 TYR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1807,2087, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HB    148 TYR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1807,2087, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HB    148 TYR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1807,2087, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HB    148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
# 127 ILE  HB    148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
# 127 ILE  HB    148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
# 127 ILE  HB    149 ALA  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1807,2108, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 127 ILE  HB    149 ALA  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1807,2108, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 127 ILE  HB    149 ALA  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1807,2108, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 127 ILE  HB    149 ALA  QB       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=2112,2113,2114,
 &end
#
# 127 ILE  HB    149 ALA  QB       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=2112,2113,2114,
 &end
#
# 127 ILE  HB    149 ALA  QB       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=2112,2113,2114,
 &end
#
# 127 ILE  HG12  127 ILE  QD1      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1813,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HG12  128 HID  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1813,1822, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HG12  128 HID  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1813,1822, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HG12  128 HID  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1813,1822, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HG13  127 ILE  HG12     4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1814,1813, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 127 ILE  HG13  127 ILE  QD1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1814,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  HG13  128 HID  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1814,1822, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  HG13  128 HID  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1814,1822, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 127 ILE  QD1   148 TYR  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2092, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   148 TYR  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2092, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   148 TYR  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2092, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   148 TYR  QD       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=1816,1817,1818,
 igr2=2095,2104,
 &end
#
# 127 ILE  QD1   148 TYR  QD       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=1816,1817,1818,
 igr2=2095,2104,
 &end
#
# 127 ILE  QD1   148 TYR  QD       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=1816,1817,1818,
 igr2=2095,2104,
 &end
#
# 127 ILE  QD1   149 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   149 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   149 ALA  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   149 ALA  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   149 ALA  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   149 ALA  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   149 ALA  QB       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1816,1817,1818,
 igr2=2112,2113,2114,
 &end
#
# 127 ILE  QD1   149 ALA  QB       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1816,1817,1818,
 igr2=2112,2113,2114,
 &end
#
# 127 ILE  QD1   149 ALA  QB       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1816,1817,1818,
 igr2=2112,2113,2114,
 &end
#
# 127 ILE  QD1   150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QD1   150 CYX  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1816,1817,1818,
 &end
#
# 127 ILE  QG2   127 ILE  HB       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1809,1810,1811,
 &end
#
# 127 ILE  QG2   127 ILE  QD1      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1809,1810,1811,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  QG2   127 ILE  QD1      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1809,1810,1811,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  QG2   127 ILE  QD1      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1809,1810,1811,
 igr2=1816,1817,1818,
 &end
#
# 127 ILE  QG2   128 HID  HN       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1809,1810,1811,
 &end
#
# 127 ILE  QG2   148 TYR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1809,1810,1811,
 &end
#
# 127 ILE  QG2   148 TYR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1809,1810,1811,
 &end
#
# 127 ILE  QG2   148 TYR  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1809,1810,1811,
 &end
#
# 127 ILE  QG2   148 TYR  HB3      5.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2092, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=1809,1810,1811,
 &end
#
# 127 ILE  QG2   148 TYR  HB3      5.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2092, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=1809,1810,1811,
 &end
#
# 127 ILE  QG2   148 TYR  HB3      5.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2092, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=1809,1810,1811,
 &end
#
# 127 ILE  QG2   148 TYR  QD       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1=1809,1810,1811,
 igr2=2095,2104,
 &end
#
# 127 ILE  QG2   148 TYR  QD       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1=1809,1810,1811,
 igr2=2095,2104,
 &end
#
# 127 ILE  QG2   148 TYR  QD       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1=1809,1810,1811,
 igr2=2095,2104,
 &end
#
# 127 ILE  QG2   149 ALA  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1809,1810,1811,
 &end
#
# 127 ILE  QG2   149 ALA  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1809,1810,1811,
 &end
#
# 127 ILE  QG2   149 ALA  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1809,1810,1811,
 &end
#
# 128 HID  HN    128 HID  HA       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1822,1824, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 128 HID  HA    129 VAL  HN       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1839, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 128 HID  HA    129 VAL  HN       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1839, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 128 HID  HA    129 VAL  HN       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1839, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 128 HID  HA    129 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1843, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 128 HID  HA    129 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1843, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 128 HID  HA    129 VAL  HB       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1843, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 128 HID  HA    130 GLY  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1855, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 128 HID  HA    130 GLY  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1855, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 128 HID  HA    130 GLY  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1855, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 128 HID  HA    147 ARG  HA       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1824,2065, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 128 HID  HA    147 ARG  HA       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1824,2065, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 128 HID  HA    147 ARG  HA       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1824,2065, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 128 HID  HA    148 TYR  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1824,2087, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 128 HID  HA    148 TYR  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1824,2087, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 128 HID  HA    148 TYR  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1824,2087, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 129 VAL  HN    129 VAL  HA       4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1839,1841, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 129 VAL  HN    129 VAL  HB       3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1839,1843, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 129 VAL  HN    129 VAL  HB       3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1839,1843, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 129 VAL  HN    129 VAL  HB       3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1839,1843, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 129 VAL  HN    129 VAL  QG1      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1845,1846,1847,
 &end
#
# 129 VAL  HN    129 VAL  QG1      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1845,1846,1847,
 &end
#
# 129 VAL  HN    129 VAL  QG1      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1845,1846,1847,
 &end
#
# 129 VAL  HN    129 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1849,1850,1851,
 &end
#
# 129 VAL  HN    129 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1849,1850,1851,
 &end
#
# 129 VAL  HN    129 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1849,1850,1851,
 &end
#
# 129 VAL  HN    130 GLY  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1839,1855, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 129 VAL  HN    130 GLY  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1839,1855, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 129 VAL  HN    130 GLY  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1839,1855, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 129 VAL  HN    146 THR  HB       5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2053, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
# 129 VAL  HN    146 THR  HB       5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2053, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
# 129 VAL  HN    146 THR  HB       5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2053, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
# 129 VAL  HN    146 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2055,2056,2057,
 &end
#
# 129 VAL  HN    146 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2055,2056,2057,
 &end
#
# 129 VAL  HN    146 THR  QG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2055,2056,2057,
 &end
#
# 129 VAL  HN    147 ARG  HA       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2065, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 129 VAL  HN    147 ARG  HA       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2065, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 129 VAL  HN    147 ARG  HA       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2065, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 129 VAL  HN    147 ARG  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2073,2074,
 &end
#
# 129 VAL  HN    147 ARG  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2073,2074,
 &end
#
# 129 VAL  HN    147 ARG  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2073,2074,
 &end
#
# 129 VAL  HN    148 TYR  HB2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2091, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 129 VAL  HN    148 TYR  HB2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2091, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 129 VAL  HN    148 TYR  HB2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2091, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 129 VAL  HN    148 TYR  HB3      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2092, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 129 VAL  HN    148 TYR  HB3      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2092, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 129 VAL  HN    148 TYR  HB3      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=1839,2092, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
# 129 VAL  HN    148 TYR  QD       5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=2095,2104,
 &end
#
# 129 VAL  HN    148 TYR  QD       5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=2095,2104,
 &end
#
# 129 VAL  HN    148 TYR  QD       5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1839,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=2095,2104,
 &end
#
# 129 VAL  HA    129 VAL  HB       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1841,1843, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 129 VAL  HA    129 VAL  QG1      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1845,1846,1847,
 &end
#
# 129 VAL  HA    129 VAL  QG1      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1845,1846,1847,
 &end
#
# 129 VAL  HA    129 VAL  QG1      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1845,1846,1847,
 &end
#
# 129 VAL  HA    129 VAL  QG2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1849,1850,1851,
 &end
#
# 129 VAL  HA    129 VAL  QG2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1849,1850,1851,
 &end
#
# 129 VAL  HA    129 VAL  QG2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1849,1850,1851,
 &end
#
# 129 VAL  HA    130 GLY  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1841,1855, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 129 VAL  HA    131 GLY  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat=1841,1862, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
# 129 VAL  HA    131 GLY  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat=1841,1862, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
# 129 VAL  HA    131 GLY  HN       5.73
 &rst
  ixpk= 0, nxpk= 0, iat=1841,1862, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
# 129 VAL  HA    148 TYR  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1841,2091, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 129 VAL  HA    148 TYR  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1841,2091, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 129 VAL  HA    148 TYR  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1841,2091, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 129 VAL  HA    148 TYR  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1841,2092, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 129 VAL  HA    148 TYR  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1841,2092, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 129 VAL  HA    148 TYR  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1841,2092, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 129 VAL  HA    148 TYR  QD       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2=2095,2104,
 &end
#
# 129 VAL  HA    148 TYR  QD       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2=2095,2104,
 &end
#
# 129 VAL  HA    148 TYR  QD       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2=2095,2104,
 &end
#
# 129 VAL  HB    129 VAL  QG1      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1845,1846,1847,
 &end
#
# 129 VAL  HB    130 GLY  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1855, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 129 VAL  HB    130 GLY  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1855, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 129 VAL  HB    130 GLY  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1855, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 129 VAL  HB    130 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1858, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 129 VAL  HB    130 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1858, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 129 VAL  HB    130 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1858, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 129 VAL  HB    146 THR  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1843,2049, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 129 VAL  HB    146 THR  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1843,2049, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 129 VAL  HB    146 THR  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1843,2049, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 129 VAL  HB    146 THR  HB       4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1843,2053, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 129 VAL  HB    146 THR  HB       4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1843,2053, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 129 VAL  HB    146 THR  HB       4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1843,2053, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 129 VAL  QG1   129 VAL  QG2      3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1=1845,1846,1847,
 igr2=1849,1850,1851,
 &end
#
# 129 VAL  QG1   130 GLY  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1855, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   130 GLY  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1855, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   130 GLY  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1855, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   131 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1862, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   131 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1862, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   131 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1862, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   146 THR  HB       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   146 THR  HB       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   146 THR  HB       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   148 TYR  HN       5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   148 TYR  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2091, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   148 TYR  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2091, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   148 TYR  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2091, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1845,1846,1847,
 &end
#
# 129 VAL  QG1   148 TYR  QD       3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1845,1846,1847,
 igr2=2095,2104,
 &end
#
# 129 VAL  QG1   148 TYR  QD       3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1845,1846,1847,
 igr2=2095,2104,
 &end
#
# 129 VAL  QG1   148 TYR  QD       3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1845,1846,1847,
 igr2=2095,2104,
 &end
#
# 129 VAL  QG2   129 VAL  HB       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   130 GLY  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1855, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   130 GLY  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1855, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   130 GLY  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1855, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   130 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   130 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   130 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   146 THR  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2049, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   146 THR  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2049, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   146 THR  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2049, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   146 THR  HB       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   146 THR  HB       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   146 THR  HB       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   147 ARG  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   147 ARG  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   147 ARG  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   147 ARG  QD       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=1849,1850,1851,
 igr2=2073,2074,
 &end
#
# 129 VAL  QG2   147 ARG  QD       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=1849,1850,1851,
 igr2=2073,2074,
 &end
#
# 129 VAL  QG2   147 ARG  QD       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=1849,1850,1851,
 igr2=2073,2074,
 &end
#
# 129 VAL  QG2   148 TYR  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   148 TYR  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   148 TYR  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   148 TYR  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2089, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   148 TYR  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2089, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   148 TYR  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2089, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   148 TYR  HB2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2091, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   148 TYR  HB2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2091, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   148 TYR  HB2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2091, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1849,1850,1851,
 &end
#
# 129 VAL  QG2   148 TYR  QD       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1849,1850,1851,
 igr2=2095,2104,
 &end
#
# 129 VAL  QG2   148 TYR  QD       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1849,1850,1851,
 igr2=2095,2104,
 &end
#
# 129 VAL  QG2   148 TYR  QD       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1849,1850,1851,
 igr2=2095,2104,
 &end
#
# 130 GLY  HN    130 GLY  HA2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1857, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 130 GLY  HN    130 GLY  HA3      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1858, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 130 GLY  HN    131 GLY  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1862, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 130 GLY  HN    131 GLY  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1862, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 130 GLY  HN    131 GLY  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1862, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 130 GLY  HN    131 GLY  HA2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1864, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 130 GLY  HN    131 GLY  HA2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1864, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 130 GLY  HN    131 GLY  HA2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1864, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 130 GLY  HN    144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    144 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2037, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    144 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2037, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    144 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2037, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    144 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2038, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    144 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2038, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    144 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2038, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    145 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2042, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    145 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2042, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    145 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2042, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    145 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2045, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    145 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2045, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    145 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2045, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HN    146 THR  HN       5.59
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2049, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
# 130 GLY  HN    146 THR  HN       5.59
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2049, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
# 130 GLY  HN    146 THR  HN       5.59
 &rst
  ixpk= 0, nxpk= 0, iat=1855,2049, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
# 130 GLY  HA2   130 GLY  HA3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1857,1858, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 130 GLY  HA2   131 GLY  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1857,1862, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 130 GLY  HA2   131 GLY  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1857,1862, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 130 GLY  HA2   131 GLY  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1857,1862, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 130 GLY  HA2   144 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1857,2038, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HA2   144 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1857,2038, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HA2   144 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1857,2038, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HA3   131 GLY  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1858,1862, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 130 GLY  HA3   144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1858,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HA3   144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1858,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 130 GLY  HA3   144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1858,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 131 GLY  HN    131 GLY  HA2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1862,1864, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 131 GLY  HN    131 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1862,1865, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 131 GLY  HN    132 ASP  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1862,1869, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 131 GLY  HN    132 ASP  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1862,1869, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 131 GLY  HN    132 ASP  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1862,1869, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 131 GLY  HA2   132 ASP  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1869, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 131 GLY  HA2   132 ASP  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1869, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 131 GLY  HA2   132 ASP  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1869, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 131 GLY  HA2   132 ASP  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1871, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 131 GLY  HA2   132 ASP  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1871, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 131 GLY  HA2   132 ASP  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1871, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 131 GLY  HA2   132 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1874, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 131 GLY  HA2   132 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1874, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 131 GLY  HA2   132 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1874, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 131 GLY  HA3   131 GLY  HA2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1865,1864, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 131 GLY  HA3   132 ASP  HN       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1865,1869, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 131 GLY  HA3   132 ASP  HN       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1865,1869, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 131 GLY  HA3   132 ASP  HN       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1865,1869, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 132 ASP  HN    132 ASP  HA       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1871, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 132 ASP  HN    132 ASP  HB2      4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1873, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 132 ASP  HN    132 ASP  HB2      4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1873, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 132 ASP  HN    132 ASP  HB2      4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1873, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 132 ASP  HN    132 ASP  HB3      4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1874, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 132 ASP  HN    133 ASN  HN       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1881, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
# 132 ASP  HN    133 ASN  HN       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1881, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
# 132 ASP  HN    133 ASN  HN       5.52
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1881, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
# 132 ASP  HN    134 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1895, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 132 ASP  HN    134 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1895, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 132 ASP  HN    134 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1895, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 132 ASP  HN    134 MET  HB3      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1900, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 132 ASP  HN    134 MET  HB3      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1900, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 132 ASP  HN    134 MET  HB3      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1869,1900, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 132 ASP  HN    134 MET  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1869,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1906,1907,1908,
 &end
#
# 132 ASP  HN    134 MET  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1869,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1906,1907,1908,
 &end
#
# 132 ASP  HN    134 MET  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1869,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1906,1907,1908,
 &end
#
# 132 ASP  HA    132 ASP  HB2      5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1873, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 132 ASP  HA    132 ASP  HB3      5.55
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1874, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
# 132 ASP  HA    133 ASN  HN       3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1881, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 132 ASP  HA    133 ASN  HN       3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1881, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 132 ASP  HA    133 ASN  HN       3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1881, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 132 ASP  HA    134 MET  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1895, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 132 ASP  HA    134 MET  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1895, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 132 ASP  HA    134 MET  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1895, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 132 ASP  HB2   132 ASP  HB3      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1874, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 132 ASP  HB2   133 ASN  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1881, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
# 132 ASP  HB2   133 ASN  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1881, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
# 132 ASP  HB2   133 ASN  HN       5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1881, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
# 132 ASP  HB2   133 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1883, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 132 ASP  HB2   133 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1883, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 132 ASP  HB2   133 ASN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1883, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 132 ASP  HB2   134 MET  QE       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1906,1907,1908,
 &end
#
# 132 ASP  HB2   134 MET  QE       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1906,1907,1908,
 &end
#
# 132 ASP  HB2   134 MET  QE       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1906,1907,1908,
 &end
#
# 132 ASP  HB3   133 ASN  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat=1874,1881, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 132 ASP  HB3   133 ASN  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat=1874,1881, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 132 ASP  HB3   133 ASN  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat=1874,1881, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 133 ASN  HN    133 ASN  HA       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1881,1883, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 133 ASN  HN    133 ASN  HB2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1881,1885, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 133 ASN  HN    133 ASN  HB3      4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1881,1886, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 133 ASN  HN    134 MET  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1881,1895, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 133 ASN  HN    134 MET  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1881,1895, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 133 ASN  HN    134 MET  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1881,1895, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 133 ASN  HN    134 MET  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1881,1897, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HN    134 MET  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1881,1897, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HN    134 MET  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1881,1897, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HA    133 ASN  HB2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1885, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 133 ASN  HA    133 ASN  HB3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1886, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 133 ASN  HA    133 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1891, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HA    133 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1891, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HA    133 ASN  HD22     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1891, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HA    134 MET  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1895, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 133 ASN  HB2   133 ASN  HB3      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1885,1886, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 133 ASN  HB2   134 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1885,1895, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HB2   134 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1885,1895, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HB2   134 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1885,1895, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HB2   135 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1885,1912, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HB2   135 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1885,1912, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HB2   135 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1885,1912, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HB3   133 ASN  HD21     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1886,1890, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HD21  133 ASN  HD22     2.64
 &rst
  ixpk= 0, nxpk= 0, iat=1890,1891, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
# 133 ASN  HD21  134 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1890,1895, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HD21  134 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1890,1895, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HD21  134 MET  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1890,1895, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HD21  134 MET  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1890,1897, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HD21  134 MET  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1890,1897, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HD21  134 MET  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1890,1897, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HD21  134 MET  QE       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1890,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1906,1907,1908,
 &end
#
# 133 ASN  HD21  134 MET  QE       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1890,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1906,1907,1908,
 &end
#
# 133 ASN  HD21  134 MET  QE       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1890,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1906,1907,1908,
 &end
#
# 133 ASN  HD22  134 MET  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1891,1897, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HD22  134 MET  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1891,1897, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 133 ASN  HD22  134 MET  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1891,1897, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HN    134 MET  HA       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1897, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 134 MET  HN    134 MET  HB2      5.32
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1899, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 134 MET  HN    134 MET  HB3      4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1900, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 134 MET  HN    134 MET  HG2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1902, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 134 MET  HN    134 MET  HG2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1902, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 134 MET  HN    134 MET  HG2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1902, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 134 MET  HN    134 MET  HG3      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1903, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 134 MET  HN    134 MET  HG3      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1903, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 134 MET  HN    134 MET  HG3      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1903, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 134 MET  HN    134 MET  QE       5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HN    134 MET  QE       5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HN    134 MET  QE       5.62
 &rst
  ixpk= 0, nxpk= 0, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HN    135 SER  HN       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1912, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 134 MET  HN    135 SER  HN       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1912, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 134 MET  HN    135 SER  HN       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1912, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 134 MET  HN    142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1895,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HN    142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1895,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HN    142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1895,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HN    142 GLY  HA3      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1895,2024, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 134 MET  HN    142 GLY  HA3      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1895,2024, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 134 MET  HN    142 GLY  HA3      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1895,2024, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 134 MET  HA    134 MET  HB2      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1897,1899, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 134 MET  HA    134 MET  HB3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1897,1900, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 134 MET  HA    134 MET  HG2      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1897,1902, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 134 MET  HA    134 MET  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1897,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HA    134 MET  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1897,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HA    134 MET  QE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1897,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HA    135 SER  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1897,1912, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 134 MET  HA    137 GLN  HNE2     5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1897,1948, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 134 MET  HA    137 GLN  HNE2     5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1897,1948, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 134 MET  HA    137 GLN  HNE2     5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1897,1948, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 134 MET  HA    142 GLY  HA2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1897,2023, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 134 MET  HA    142 GLY  HA2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1897,2023, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 134 MET  HA    142 GLY  HA2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1897,2023, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 134 MET  HA    142 GLY  HA3      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1897,2024, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 134 MET  HA    142 GLY  HA3      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1897,2024, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 134 MET  HA    142 GLY  HA3      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1897,2024, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 134 MET  HB2   134 MET  HG2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1899,1902, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 134 MET  HB2   134 MET  QE       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1899,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HB2   134 MET  QE       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1899,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HB2   134 MET  QE       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1899,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HB2   135 SER  HN       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1899,1912, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 134 MET  HB2   135 SER  HN       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1899,1912, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 134 MET  HB2   135 SER  HN       5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1899,1912, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 134 MET  HB2   142 GLY  HA2      5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1899,2023, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 134 MET  HB2   142 GLY  HA2      5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1899,2023, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 134 MET  HB2   142 GLY  HA2      5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1899,2023, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 134 MET  HB2   142 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1899,2024, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HB2   142 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1899,2024, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HB2   142 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1899,2024, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HB3   134 MET  HB2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1900,1899, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 134 MET  HB3   134 MET  HG2      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1900,1902, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 134 MET  HB3   135 SER  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1900,1912, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
# 134 MET  HB3   135 SER  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1900,1912, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
# 134 MET  HB3   135 SER  HN       5.95
 &rst
  ixpk= 0, nxpk= 0, iat=1900,1912, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
# 134 MET  HB3   142 GLY  HA2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1900,2023, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 134 MET  HB3   142 GLY  HA2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1900,2023, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 134 MET  HB3   142 GLY  HA2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1900,2023, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 134 MET  HB3   142 GLY  HA3      5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1900,2024, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
# 134 MET  HB3   142 GLY  HA3      5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1900,2024, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
# 134 MET  HB3   142 GLY  HA3      5.82
 &rst
  ixpk= 0, nxpk= 0, iat=1900,2024, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
# 134 MET  HG2   134 MET  QE       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HG2   134 MET  QE       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HG2   134 MET  QE       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HG2   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1902,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HG2   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1902,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HG2   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1902,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HG2   142 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1902,2024, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HG2   142 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1902,2024, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HG2   142 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1902,2024, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HG3   134 MET  HG2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1903,1902, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 134 MET  HG3   134 MET  QE       3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1903,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HG3   134 MET  QE       3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1903,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HG3   134 MET  QE       3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1903,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1906,1907,1908,
 &end
#
# 134 MET  HG3   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1903,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HG3   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1903,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  HG3   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1903,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 134 MET  QE    135 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1912, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1906,1907,1908,
 &end
#
# 134 MET  QE    135 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1912, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1906,1907,1908,
 &end
#
# 134 MET  QE    135 SER  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1912, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1906,1907,1908,
 &end
#
# 135 SER  HN    135 SER  HA       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1912,1914, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 135 SER  HN    135 SER  HB2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1912,1916, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 135 SER  HN    135 SER  HB2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1912,1916, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 135 SER  HN    135 SER  HB2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1912,1916, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 135 SER  HN    135 SER  HB3      4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1912,1917, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 135 SER  HN    135 SER  HB3      4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1912,1917, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 135 SER  HN    135 SER  HB3      4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1912,1917, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 135 SER  HN    136 ASP  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat=1912,1923, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 135 SER  HN    136 ASP  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat=1912,1923, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 135 SER  HN    136 ASP  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat=1912,1923, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 135 SER  HN    142 GLY  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1912,2021, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 135 SER  HN    142 GLY  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1912,2021, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 135 SER  HN    142 GLY  HN       5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1912,2021, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 135 SER  HN    142 GLY  HA2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1912,2023, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 135 SER  HN    142 GLY  HA2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1912,2023, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 135 SER  HN    142 GLY  HA2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=1912,2023, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 135 SER  HN    142 GLY  HA3      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1912,2024, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 135 SER  HN    142 GLY  HA3      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1912,2024, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 135 SER  HN    142 GLY  HA3      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1912,2024, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 135 SER  HA    135 SER  HB2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1916, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 135 SER  HA    135 SER  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1917, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 135 SER  HA    136 ASP  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1923, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 135 SER  HA    136 ASP  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1923, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 135 SER  HA    136 ASP  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1923, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 135 SER  HA    136 ASP  HA       5.67
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1925, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
# 135 SER  HA    136 ASP  HA       5.67
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1925, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
# 135 SER  HA    136 ASP  HA       5.67
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1925, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
# 135 SER  HA    136 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1928, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 135 SER  HA    136 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1928, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 135 SER  HA    136 ASP  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1928, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 135 SER  HA    137 GLN  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1935, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 135 SER  HA    137 GLN  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1935, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 135 SER  HA    137 GLN  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1914,1935, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 135 SER  HB2   135 SER  HB3      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1916,1917, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 135 SER  HB2   136 ASP  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1916,1923, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 135 SER  HB2   136 ASP  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1916,1923, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 135 SER  HB2   136 ASP  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1916,1923, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 135 SER  HB3   136 ASP  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1923, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 135 SER  HB3   136 ASP  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1923, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 135 SER  HB3   136 ASP  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1923, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 135 SER  HB3   137 GLN  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1935, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
# 135 SER  HB3   137 GLN  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1935, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
# 135 SER  HB3   137 GLN  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1935, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
# 136 ASP  HN    136 ASP  HA       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1925, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 136 ASP  HN    136 ASP  HB2      4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1927, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 136 ASP  HN    136 ASP  HB2      4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1927, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 136 ASP  HN    136 ASP  HB2      4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1927, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 136 ASP  HN    136 ASP  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1928, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 136 ASP  HN    136 ASP  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1928, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 136 ASP  HN    136 ASP  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1928, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 136 ASP  HN    137 GLN  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1935, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 136 ASP  HN    137 GLN  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1935, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 136 ASP  HN    137 GLN  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1935, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 136 ASP  HN    137 GLN  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1935, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 136 ASP  HN    137 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1937, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HN    137 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1937, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HN    137 GLN  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1937, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HN    137 GLN  HB3      5.57
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1940, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
# 136 ASP  HN    137 GLN  HB3      5.57
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1940, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
# 136 ASP  HN    137 GLN  HB3      5.57
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1940, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
# 136 ASP  HN    137 GLN  HNE2     5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1948, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 136 ASP  HN    137 GLN  HNE2     5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1948, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 136 ASP  HN    137 GLN  HNE2     5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1948, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 136 ASP  HN    137 GLN  HG3      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1943, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 136 ASP  HN    137 GLN  HG3      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1943, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 136 ASP  HN    137 GLN  HG3      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1943, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 136 ASP  HN    142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1923,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HN    142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1923,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HN    142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1923,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HA    136 ASP  HB2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1925,1927, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 136 ASP  HA    136 ASP  HB3      4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1925,1928, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 136 ASP  HA    137 GLN  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1925,1935, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 136 ASP  HA    137 GLN  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1925,1935, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 136 ASP  HA    137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1925,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HA    137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1925,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HA    137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1925,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HB2   137 GLN  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1935, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 136 ASP  HB2   137 GLN  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1935, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 136 ASP  HB2   137 GLN  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1935, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 136 ASP  HB2   137 GLN  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1935, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 136 ASP  HB2   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HB2   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HB2   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HB3   136 ASP  HB2      3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1927, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 136 ASP  HB3   137 GLN  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1935, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 136 ASP  HB3   137 GLN  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1935, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 136 ASP  HB3   137 GLN  HN       5.68
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1935, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 136 ASP  HB3   137 GLN  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1937, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 136 ASP  HB3   137 GLN  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1937, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 136 ASP  HB3   137 GLN  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1937, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 136 ASP  HB3   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HB3   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 136 ASP  HB3   137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1928,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HN    137 GLN  HA       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1937, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 137 GLN  HN    137 GLN  HB2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1939, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 137 GLN  HN    137 GLN  HB2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1939, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 137 GLN  HN    137 GLN  HB2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1939, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 137 GLN  HN    137 GLN  HB3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1940, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 137 GLN  HN    137 GLN  HB3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1940, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 137 GLN  HN    137 GLN  HB3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1940, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 137 GLN  HN    137 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1947, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HN    137 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1947, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HN    137 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1947, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HN    137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HN    137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HN    137 GLN  HNE2     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1948, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HN    137 GLN  HG2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1942, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 137 GLN  HN    137 GLN  HG2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1942, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 137 GLN  HN    137 GLN  HG2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1942, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 137 GLN  HN    137 GLN  HG3      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 137 GLN  HN    137 GLN  HG3      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 137 GLN  HN    137 GLN  HG3      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 137 GLN  HN    139 LYS  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1966, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 137 GLN  HN    139 LYS  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1966, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 137 GLN  HN    139 LYS  HN       5.92
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1966, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 137 GLN  HN    141 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1935,2002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HN    141 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1935,2002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HN    141 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1935,2002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HN    142 GLY  HN       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=1935,2021, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 137 GLN  HN    142 GLY  HN       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=1935,2021, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 137 GLN  HN    142 GLY  HN       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=1935,2021, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 137 GLN  HN    142 GLY  HA3      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1935,2024, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 137 GLN  HN    142 GLY  HA3      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1935,2024, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 137 GLN  HN    142 GLY  HA3      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1935,2024, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 137 GLN  HA    137 GLN  HB2      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1939, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 137 GLN  HA    137 GLN  HB3      4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1940, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 137 GLN  HA    137 GLN  HNE1     6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 137 GLN  HA    137 GLN  HNE1     6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 137 GLN  HA    137 GLN  HNE1     6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 137 GLN  HA    137 GLN  HG2      4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1942, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 137 GLN  HA    137 GLN  HG2      4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1942, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 137 GLN  HA    137 GLN  HG2      4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1942, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 137 GLN  HA    137 GLN  HG3      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1943, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 137 GLN  HA    137 GLN  HG3      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1943, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 137 GLN  HA    137 GLN  HG3      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1943, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 137 GLN  HA    138 PRO  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1957, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HA    138 PRO  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1957, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HA    138 PRO  HG3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1957, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HA    139 LYS  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1966, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 137 GLN  HA    139 LYS  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1966, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 137 GLN  HA    139 LYS  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1966, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 137 GLN  HB2   137 GLN  HB3      3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1940, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 137 GLN  HB2   137 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1947, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HB2   137 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1947, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HB2   137 GLN  HNE1     6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1947, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HB2   137 GLN  HG3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1943, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 137 GLN  HB2   138 PRO  HA       5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1962, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 137 GLN  HB2   138 PRO  HA       5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1962, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 137 GLN  HB2   138 PRO  HA       5.71
 &rst
  ixpk= 0, nxpk= 0, iat=1939,1962, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 137 GLN  HNE1  137 GLN  HNE2     2.64
 &rst
  ixpk= 0, nxpk= 0, iat=1947,1948, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
# 137 GLN  HNE1  143 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1947,2031, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HNE1  143 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1947,2031, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HNE1  143 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1947,2031, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 137 GLN  HG2   137 GLN  HNE1     5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1942,1947, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 137 GLN  HG2   137 GLN  HNE2     5.91
 &rst
  ixpk= 0, nxpk= 0, iat=1942,1948, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 137 GLN  HG3   137 GLN  HNE1     4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1943,1947, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 137 GLN  HG3   137 GLN  HNE2     5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1943,1948, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 138 PRO  HA    138 PRO  HB2      4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1962,1959, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 138 PRO  HA    138 PRO  HG3      5.79
 &rst
  ixpk= 0, nxpk= 0, iat=1962,1957, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
# 138 PRO  HA    139 LYS  HN       3.50  (#)
 &rst
  ixpk= 0, nxpk= 0, iat=1962,1966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 138 PRO  HA    139 LYS  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1962,1966, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 138 PRO  HB2   139 LYS  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=1959,1966, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 138 PRO  HB3   138 PRO  HA       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1960,1962, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 138 PRO  HB3   138 PRO  HD3      5.83
 &rst
  ixpk= 0, nxpk= 0, iat=1960,1954, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
# 138 PRO  HB3   139 LYS  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1960,1966, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 138 PRO  HD2   139 LYS  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1953,1966, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 138 PRO  HD2   139 LYS  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1953,1966, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 138 PRO  HD2   139 LYS  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1953,1966, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 138 PRO  HD3   138 PRO  HA       5.64
 &rst
  ixpk= 0, nxpk= 0, iat=1954,1962, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
# 138 PRO  HD3   139 LYS  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1954,1966, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 138 PRO  HD3   139 LYS  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1954,1966, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 138 PRO  HD3   139 LYS  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1954,1966, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 138 PRO  HG2   138 PRO  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1956,1962, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 138 PRO  HG2   138 PRO  HD3      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1956,1954, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 138 PRO  HG2   138 PRO  HG3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1956,1957, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 138 PRO  HG2   139 LYS  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1956,1966, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 138 PRO  HG2   139 LYS  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1956,1966, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 138 PRO  HG2   139 LYS  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1956,1966, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 138 PRO  HG3   138 PRO  HD3      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1957,1954, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 138 PRO  HG3   139 LYS  HN       5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1957,1966, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
# 138 PRO  HG3   139 LYS  HN       5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1957,1966, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
# 138 PRO  HG3   139 LYS  HN       5.74
 &rst
  ixpk= 0, nxpk= 0, iat=1957,1966, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
# 138 PRO  HG3   139 LYS  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1957,1971, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 138 PRO  HG3   139 LYS  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1957,1971, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 138 PRO  HG3   139 LYS  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1957,1971, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 138 PRO  HG3   139 LYS  QG       5.53
 &rst
  ixpk= 0, nxpk= 0, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1973,1974,
 &end
#
# 138 PRO  HG3   139 LYS  QG       5.53
 &rst
  ixpk= 0, nxpk= 0, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1973,1974,
 &end
#
# 138 PRO  HG3   139 LYS  QG       5.53
 &rst
  ixpk= 0, nxpk= 0, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1973,1974,
 &end
#
# 139 LYS  HN    139 LYS  HA       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1968, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 139 LYS  HN    139 LYS  HB2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1970, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 139 LYS  HN    139 LYS  HB2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1970, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 139 LYS  HN    139 LYS  HB2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1970, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 139 LYS  HN    139 LYS  HB3      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1971, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 139 LYS  HN    139 LYS  HB3      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1971, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 139 LYS  HN    139 LYS  HB3      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1971, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 139 LYS  HN    139 LYS  QE       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1966,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1979,1980,
 &end
#
# 139 LYS  HN    139 LYS  QE       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1966,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1979,1980,
 &end
#
# 139 LYS  HN    139 LYS  QE       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1966,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1979,1980,
 &end
#
# 139 LYS  HN    139 LYS  QG       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1966,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=1973,1974,
 &end
#
# 139 LYS  HN    139 LYS  QG       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1966,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=1973,1974,
 &end
#
# 139 LYS  HN    139 LYS  QG       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1966,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=1973,1974,
 &end
#
# 139 LYS  HN    140 PRO  HD2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1989, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 139 LYS  HN    140 PRO  HD2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1989, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 139 LYS  HN    140 PRO  HD2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1989, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 139 LYS  HN    141 LEU  HN       6.50
 &rst
  ixpk= 0, nxpk= 0, iat=1966,2002, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 139 LYS  HN    143 GLY  HN       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1966,2028, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
# 139 LYS  HN    143 GLY  HN       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1966,2028, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
# 139 LYS  HN    143 GLY  HN       5.87
 &rst
  ixpk= 0, nxpk= 0, iat=1966,2028, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
# 139 LYS  HN    143 GLY  HA2      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1966,2030, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 139 LYS  HN    143 GLY  HA2      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1966,2030, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 139 LYS  HN    143 GLY  HA2      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1966,2030, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 139 LYS  HA    139 LYS  HB2      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1968,1970, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 139 LYS  HA    139 LYS  QG       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1968,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1973,1974,
 &end
#
# 139 LYS  HA    139 LYS  QG       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1968,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1973,1974,
 &end
#
# 139 LYS  HA    139 LYS  QG       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1968,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1973,1974,
 &end
#
# 139 LYS  HA    140 PRO  HA       5.63
 &rst
  ixpk= 0, nxpk= 0, iat=1968,1998, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
# 139 LYS  HA    140 PRO  HD2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1968,1989, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 139 LYS  HA    140 PRO  HD2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1968,1989, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 139 LYS  HA    140 PRO  HD2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1968,1989, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 139 LYS  HA    140 PRO  HD3      5.59
 &rst
  ixpk= 0, nxpk= 0, iat=1968,1990, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
# 139 LYS  HA    140 PRO  HG3      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1968,1993, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 139 LYS  HA    140 PRO  HG3      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1968,1993, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 139 LYS  HA    140 PRO  HG3      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1968,1993, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 139 LYS  HA    143 GLY  HN       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1968,2028, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
# 139 LYS  HA    143 GLY  HN       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1968,2028, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
# 139 LYS  HA    143 GLY  HN       5.76
 &rst
  ixpk= 0, nxpk= 0, iat=1968,2028, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
# 139 LYS  HB2   140 PRO  HD2      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1970,1989, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 139 LYS  HB2   140 PRO  HD2      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1970,1989, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 139 LYS  HB2   140 PRO  HD2      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1970,1989, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 139 LYS  HB2   143 GLY  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1970,2028, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 139 LYS  HB2   143 GLY  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1970,2028, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 139 LYS  HB2   143 GLY  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1970,2028, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 139 LYS  HB2   143 GLY  HA2      4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1970,2030, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 139 LYS  HB2   143 GLY  HA2      4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1970,2030, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 139 LYS  HB2   143 GLY  HA2      4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1970,2030, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 139 LYS  HB2   144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1970,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 139 LYS  HB2   144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1970,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 139 LYS  HB2   144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1970,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 139 LYS  HB3   139 LYS  HB2      3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1971,1970, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 139 LYS  HB3   140 PRO  HD2      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1971,1989, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 139 LYS  HB3   140 PRO  HD2      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1971,1989, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 139 LYS  HB3   140 PRO  HD2      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1971,1989, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 139 LYS  HB3   143 GLY  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1971,2028, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 139 LYS  HB3   143 GLY  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1971,2028, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 139 LYS  HB3   143 GLY  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1971,2028, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 139 LYS  HB3   143 GLY  HA2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1971,2030, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 139 LYS  HB3   143 GLY  HA2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1971,2030, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 139 LYS  HB3   143 GLY  HA2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1971,2030, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 139 LYS  HB3   144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1971,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 139 LYS  HB3   144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1971,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 139 LYS  HB3   144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1971,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 139 LYS  QD    139 LYS  QE       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1976,1977,
 igr2=1979,1980,
 &end
#
# 139 LYS  QD    140 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1989, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1976,1977,
 &end
#
# 139 LYS  QD    140 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1989, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1976,1977,
 &end
#
# 139 LYS  QD    140 PRO  HD2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1989, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1976,1977,
 &end
#
# 139 LYS  QE    143 GLY  HA2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2030, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1979,1980,
 &end
#
# 139 LYS  QE    143 GLY  HA2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2030, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1979,1980,
 &end
#
# 139 LYS  QE    143 GLY  HA2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2030, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1979,1980,
 &end
#
# 139 LYS  QG    139 LYS  QD       3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1973,1974,
 igr2=1976,1977,
 &end
#
# 139 LYS  QG    139 LYS  QD       3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1973,1974,
 igr2=1976,1977,
 &end
#
# 139 LYS  QG    139 LYS  QD       3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1973,1974,
 igr2=1976,1977,
 &end
#
# 139 LYS  QG    140 PRO  HD2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1989, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1973,1974,
 &end
#
# 139 LYS  QG    140 PRO  HD2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1989, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1973,1974,
 &end
#
# 139 LYS  QG    140 PRO  HD2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1989, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1973,1974,
 &end
#
# 139 LYS  QG    140 PRO  HD3      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1990, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1973,1974,
 &end
#
# 139 LYS  QG    140 PRO  HD3      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1990, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1973,1974,
 &end
#
# 139 LYS  QG    140 PRO  HD3      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1990, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1973,1974,
 &end
#
# 139 LYS  QG    143 GLY  HA2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2030, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1973,1974,
 &end
#
# 139 LYS  QG    143 GLY  HA2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2030, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1973,1974,
 &end
#
# 139 LYS  QG    143 GLY  HA2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2030, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1973,1974,
 &end
#
# 140 PRO  HA    141 LEU  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2002, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 140 PRO  HA    141 LEU  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2002, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 140 PRO  HA    141 LEU  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2002, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 140 PRO  HA    141 LEU  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2004, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 140 PRO  HA    141 LEU  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2004, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 140 PRO  HA    141 LEU  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2004, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 140 PRO  HA    141 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2011,2012,2013,
 &end
#
# 140 PRO  HA    141 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2011,2012,2013,
 &end
#
# 140 PRO  HA    141 LEU  QD1      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=2011,2012,2013,
 &end
#
# 140 PRO  HA    142 GLY  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2021, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 140 PRO  HA    142 GLY  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2021, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 140 PRO  HA    142 GLY  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2021, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 140 PRO  HA    143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2028, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 140 PRO  HA    143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2028, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 140 PRO  HA    143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1998,2028, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 140 PRO  HB2   140 PRO  HA       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1995,1998, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 140 PRO  HB2   140 PRO  HB3      3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1995,1996, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 140 PRO  HB2   140 PRO  HD3      4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1995,1990, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 140 PRO  HB2   140 PRO  HG2      3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1995,1992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 140 PRO  HB2   141 LEU  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1995,2002, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 140 PRO  HB2   141 LEU  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1995,2002, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 140 PRO  HB2   141 LEU  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1995,2002, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 140 PRO  HB2   141 LEU  QD1      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=1995,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=2011,2012,2013,
 &end
#
# 140 PRO  HB2   141 LEU  QD1      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=1995,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=2011,2012,2013,
 &end
#
# 140 PRO  HB2   141 LEU  QD1      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=1995,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=2011,2012,2013,
 &end
#
# 140 PRO  HB2   141 LEU  QD2      5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1995,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=2015,2016,2017,
 &end
#
# 140 PRO  HB2   141 LEU  QD2      5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1995,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=2015,2016,2017,
 &end
#
# 140 PRO  HB2   141 LEU  QD2      5.75
 &rst
  ixpk= 0, nxpk= 0, iat=1995,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=2015,2016,2017,
 &end
#
# 140 PRO  HB3   141 LEU  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1996,2002, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 140 PRO  HD2   140 PRO  HB2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1989,1995, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 140 PRO  HD2   140 PRO  HD3      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1989,1990, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 140 PRO  HD2   140 PRO  HG2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1989,1992, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 140 PRO  HD2   141 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1989,2002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 140 PRO  HD2   141 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1989,2002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 140 PRO  HD2   141 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1989,2002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 140 PRO  HD3   141 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1990,2002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 140 PRO  HD3   141 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1990,2002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 140 PRO  HD3   141 LEU  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=1990,2002, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 140 PRO  HG2   141 LEU  HN       5.84
 &rst
  ixpk= 0, nxpk= 0, iat=1992,2002, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
# 140 PRO  HG2   141 LEU  HN       5.84
 &rst
  ixpk= 0, nxpk= 0, iat=1992,2002, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
# 140 PRO  HG2   141 LEU  HN       5.84
 &rst
  ixpk= 0, nxpk= 0, iat=1992,2002, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
# 140 PRO  HG3   140 PRO  HA       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1993,1998, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 140 PRO  HG3   140 PRO  HD3      3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1993,1990, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 141 LEU  HN    141 LEU  HA       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2004, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 141 LEU  HN    141 LEU  HB2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2006, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 141 LEU  HN    141 LEU  HB3      5.52
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2007, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
# 141 LEU  HN    141 LEU  HG       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2009, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 141 LEU  HN    141 LEU  HG       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2009, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 141 LEU  HN    141 LEU  HG       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2009, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 141 LEU  HN    141 LEU  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2011,2012,2013,
 &end
#
# 141 LEU  HN    141 LEU  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2011,2012,2013,
 &end
#
# 141 LEU  HN    141 LEU  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2011,2012,2013,
 &end
#
# 141 LEU  HN    141 LEU  QD2      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=2015,2016,2017,
 &end
#
# 141 LEU  HN    141 LEU  QD2      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=2015,2016,2017,
 &end
#
# 141 LEU  HN    141 LEU  QD2      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=2015,2016,2017,
 &end
#
# 141 LEU  HN    142 GLY  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2021, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 141 LEU  HN    142 GLY  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2021, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 141 LEU  HN    142 GLY  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2021, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 141 LEU  HN    142 GLY  HA2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2023, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
# 141 LEU  HN    142 GLY  HA2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2023, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
# 141 LEU  HN    142 GLY  HA2      5.52
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2023, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
# 141 LEU  HN    142 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2024, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HN    142 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2024, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HN    142 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2024, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HN    143 GLY  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2028, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
# 141 LEU  HN    143 GLY  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2028, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
# 141 LEU  HN    143 GLY  HN       5.94
 &rst
  ixpk= 0, nxpk= 0, iat=2002,2028, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
# 141 LEU  HA    141 LEU  HB2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2006, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 141 LEU  HA    141 LEU  HB3      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2007, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 141 LEU  HA    141 LEU  HG       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2009, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 141 LEU  HA    141 LEU  HG       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2009, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 141 LEU  HA    141 LEU  HG       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2009, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 141 LEU  HA    141 LEU  QD1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=2011,2012,2013,
 &end
#
# 141 LEU  HA    141 LEU  QD1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=2011,2012,2013,
 &end
#
# 141 LEU  HA    141 LEU  QD1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=2011,2012,2013,
 &end
#
# 141 LEU  HA    141 LEU  QD2      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=2004,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2=2015,2016,2017,
 &end
#
# 141 LEU  HA    141 LEU  QD2      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=2004,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2=2015,2016,2017,
 &end
#
# 141 LEU  HA    141 LEU  QD2      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=2004,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2=2015,2016,2017,
 &end
#
# 141 LEU  HA    142 GLY  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2021, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 141 LEU  HA    142 GLY  HA2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2023, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 141 LEU  HA    142 GLY  HA2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2023, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 141 LEU  HA    142 GLY  HA2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2023, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 141 LEU  HA    143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2028, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HA    143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2028, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HA    143 GLY  HN       6.05   (#)
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2028, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HA    144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HA    144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HA    144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HA    145 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2042, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HA    145 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2042, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HA    145 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2004,2042, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HB2   141 LEU  HB3      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=2006,2007, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 141 LEU  HB2   141 LEU  HG       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=2006,2009, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 141 LEU  HB2   141 LEU  QD1      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=2006,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=2011,2012,2013,
 &end
#
# 141 LEU  HB3   142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2007,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HB3   142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2007,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HB3   142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2007,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HB3   143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2007,2028, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HB3   143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2007,2028, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HB3   143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2007,2028, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HG    141 LEU  QD2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=2009,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=2015,2016,2017,
 &end
#
# 141 LEU  HG    142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2009,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HG    142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2009,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  HG    142 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2009,2021, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 141 LEU  QD1   141 LEU  HG       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2009, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=2011,2012,2013,
 &end
#
# 141 LEU  QD1   141 LEU  QD2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=2011,2012,2013,
 igr2=2015,2016,2017,
 &end
#
# 141 LEU  QD1   142 GLY  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2021, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=2011,2012,2013,
 &end
#
# 141 LEU  QD1   142 GLY  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2021, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=2011,2012,2013,
 &end
#
# 141 LEU  QD1   142 GLY  HN       5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2021, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=2011,2012,2013,
 &end
#
# 141 LEU  QD1   143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2028, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2011,2012,2013,
 &end
#
# 141 LEU  QD1   143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2028, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2011,2012,2013,
 &end
#
# 141 LEU  QD1   143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2028, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2011,2012,2013,
 &end
#
# 141 LEU  QD2   143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2028, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2015,2016,2017,
 &end
#
# 141 LEU  QD2   143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2028, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2015,2016,2017,
 &end
#
# 141 LEU  QD2   143 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2028, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2015,2016,2017,
 &end
#
# 141 LEU  QD2   145 GLY  HA3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=2015,2016,2017,
 &end
#
# 141 LEU  QD2   145 GLY  HA3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=2015,2016,2017,
 &end
#
# 141 LEU  QD2   145 GLY  HA3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=2015,2016,2017,
 &end
#
# 142 GLY  HN    142 GLY  HA2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2023, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 142 GLY  HN    142 GLY  HA3      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 142 GLY  HN    143 GLY  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2028, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 142 GLY  HN    143 GLY  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2028, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 142 GLY  HN    143 GLY  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2028, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 142 GLY  HN    143 GLY  HA2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2030, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 142 GLY  HN    143 GLY  HA2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2030, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 142 GLY  HN    143 GLY  HA2      5.98
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2030, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
# 142 GLY  HN    143 GLY  HA3      6.04
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2031, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
# 142 GLY  HN    143 GLY  HA3      6.04
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2031, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
# 142 GLY  HN    143 GLY  HA3      6.04  (#)
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2031, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
# 142 GLY  HN    144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 142 GLY  HN    144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 142 GLY  HN    144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 142 GLY  HN    145 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2042, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 142 GLY  HN    145 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2042, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 142 GLY  HN    145 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2042, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 142 GLY  HA2   142 GLY  HA3      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2024, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 142 GLY  HA2   143 GLY  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2028, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 142 GLY  HA2   143 GLY  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2028, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 142 GLY  HA2   143 GLY  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2028, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 142 GLY  HA2   143 GLY  HA3      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2031, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 142 GLY  HA2   143 GLY  HA3      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2031, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 142 GLY  HA2   143 GLY  HA3      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2031, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 142 GLY  HA2   144 GLY  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2035, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 142 GLY  HA2   144 GLY  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2035, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 142 GLY  HA2   144 GLY  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2035, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 142 GLY  HA2   144 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2037, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 142 GLY  HA2   144 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2037, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 142 GLY  HA2   144 GLY  HA2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2037, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 142 GLY  HA3   143 GLY  HN       5.20  (#)
 &rst
  ixpk= 0, nxpk= 0, iat=2024,2028, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 143 GLY  HN    143 GLY  HA2      3.64
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2030, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 143 GLY  HN    143 GLY  HA3      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2031, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 143 GLY  HN    144 GLY  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2035, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 143 GLY  HN    144 GLY  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2035, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 143 GLY  HN    144 GLY  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2035, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 143 GLY  HN    145 GLY  HN       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2042, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
# 143 GLY  HN    145 GLY  HN       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2042, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
# 143 GLY  HN    145 GLY  HN       5.57
 &rst
  ixpk= 0, nxpk= 0, iat=2028,2042, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
# 143 GLY  HA2   143 GLY  HA3      3.77
 &rst
  ixpk= 0, nxpk= 0, iat=2030,2031, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 143 GLY  HA2   144 GLY  HN       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2030,2035, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 143 GLY  HA3   144 GLY  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=2031,2035, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 144 GLY  HN    144 GLY  HA2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=2035,2037, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 144 GLY  HN    144 GLY  HA3      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=2035,2038, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 144 GLY  HN    145 GLY  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=2035,2042, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 144 GLY  HN    145 GLY  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=2035,2042, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 144 GLY  HN    145 GLY  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=2035,2042, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 144 GLY  HN    145 GLY  HA3      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=2035,2045, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 144 GLY  HN    145 GLY  HA3      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=2035,2045, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 144 GLY  HN    145 GLY  HA3      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=2035,2045, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 144 GLY  HA2   144 GLY  HA3      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=2037,2038, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 144 GLY  HA3   145 GLY  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=2038,2042, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 145 GLY  HN    145 GLY  HA2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=2042,2044, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 145 GLY  HN    145 GLY  HA3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=2042,2045, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 145 GLY  HN    146 THR  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=2042,2049, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 145 GLY  HN    146 THR  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=2042,2049, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 145 GLY  HN    146 THR  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=2042,2049, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 145 GLY  HA2   145 GLY  HA3      3.63
 &rst
  ixpk= 0, nxpk= 0, iat=2044,2045, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 145 GLY  HA2   146 THR  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=2044,2049, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 145 GLY  HA2   146 THR  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=2044,2049, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 145 GLY  HA2   146 THR  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=2044,2049, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 145 GLY  HA3   146 THR  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=2045,2049, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 145 GLY  HA3   146 THR  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=2045,2049, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 145 GLY  HA3   146 THR  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=2045,2049, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 146 THR  HN    146 THR  HA       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=2049,2051, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 146 THR  HN    146 THR  QG2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=2049,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=2055,2056,2057,
 &end
#
# 146 THR  HN    146 THR  QG2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=2049,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=2055,2056,2057,
 &end
#
# 146 THR  HN    146 THR  QG2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=2049,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=2055,2056,2057,
 &end
#
# 146 THR  HA    146 THR  HB       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=2051,2053, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 146 THR  HA    146 THR  QG2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=2051,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=2055,2056,2057,
 &end
#
# 146 THR  HA    146 THR  QG2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=2051,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=2055,2056,2057,
 &end
#
# 146 THR  HA    146 THR  QG2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=2051,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=2055,2056,2057,
 &end
#
# 146 THR  HA    147 ARG  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=2051,2063, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 146 THR  HA    147 ARG  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=2051,2063, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 146 THR  HA    147 ARG  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=2051,2063, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 146 THR  HB    146 THR  QG2      3.72
 &rst
  ixpk= 0, nxpk= 0, iat=2053,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=2055,2056,2057,
 &end
#
# 146 THR  HB    147 ARG  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=2053,2063, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 146 THR  HB    147 ARG  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=2053,2063, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 146 THR  HB    147 ARG  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=2053,2063, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 146 THR  QG2   147 ARG  HN       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2055,2056,2057,
 &end
#
# 146 THR  QG2   147 ARG  HN       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2055,2056,2057,
 &end
#
# 146 THR  QG2   147 ARG  HN       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2055,2056,2057,
 &end
#
# 146 THR  QG2   147 ARG  QD       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=2055,2056,2057,
 igr2=2073,2074,
 &end
#
# 146 THR  QG2   147 ARG  QD       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=2055,2056,2057,
 igr2=2073,2074,
 &end
#
# 146 THR  QG2   147 ARG  QD       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=2055,2056,2057,
 igr2=2073,2074,
 &end
#
# 147 ARG  HN    147 ARG  HA       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2065, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 147 ARG  HN    147 ARG  HB2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2067, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 147 ARG  HN    147 ARG  HB2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2067, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 147 ARG  HN    147 ARG  HB2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2067, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 147 ARG  HN    147 ARG  HB3      5.15
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2068, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 147 ARG  HN    147 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2076, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HN    147 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2076, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HN    147 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2076, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HN    147 ARG  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2073,2074,
 &end
#
# 147 ARG  HN    147 ARG  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2073,2074,
 &end
#
# 147 ARG  HN    147 ARG  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2073,2074,
 &end
#
# 147 ARG  HN    147 ARG  QG       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=2070,2071,
 &end
#
# 147 ARG  HN    147 ARG  QG       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=2070,2071,
 &end
#
# 147 ARG  HN    147 ARG  QG       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=2070,2071,
 &end
#
# 147 ARG  HN    148 TYR  QD       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2095,2104,
 &end
#
# 147 ARG  HN    148 TYR  QD       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2095,2104,
 &end
#
# 147 ARG  HN    148 TYR  QD       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2095,2104,
 &end
#
# 147 ARG  HA    147 ARG  HB2      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2067, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 147 ARG  HA    147 ARG  HB3      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2068, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
# 147 ARG  HA    147 ARG  QG       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=2070,2071,
 &end
#
# 147 ARG  HA    147 ARG  QG       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=2070,2071,
 &end
#
# 147 ARG  HA    147 ARG  QG       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=2070,2071,
 &end
#
# 147 ARG  HA    148 TYR  HN       3.73
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2087, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 147 ARG  HA    148 TYR  HN       3.73
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2087, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 147 ARG  HA    148 TYR  HN       3.73
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2087, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 147 ARG  HA    148 TYR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HA    148 TYR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HA    148 TYR  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2089, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HA    148 TYR  HB2      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2091, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
# 147 ARG  HA    148 TYR  HB2      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2091, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
# 147 ARG  HA    148 TYR  HB2      5.94
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2091, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
# 147 ARG  HA    148 TYR  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2092, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HA    148 TYR  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2092, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HA    148 TYR  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2092, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HA    148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
# 147 ARG  HA    148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
# 147 ARG  HA    148 TYR  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=2095,2104,
 &end
#
# 147 ARG  HA    149 ALA  HN       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2108, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 147 ARG  HA    149 ALA  HN       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2108, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 147 ARG  HA    149 ALA  HN       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2108, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 147 ARG  HB2   147 ARG  HB3      2.82
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2068, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 147 ARG  HB2   147 ARG  QD       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=2067,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=2073,2074,
 &end
#
# 147 ARG  HB3   147 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2068,2076, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HB3   147 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2068,2076, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HB3   147 ARG  HE       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2068,2076, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 147 ARG  HB3   147 ARG  QD       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=2068,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=2073,2074,
 &end
#
# 147 ARG  HB3   148 TYR  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=2068,2087, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 147 ARG  HB3   148 TYR  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=2068,2087, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 147 ARG  HB3   148 TYR  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=2068,2087, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 147 ARG  QG    147 ARG  QD       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
 igr1=2070,2071,
 igr2=2073,2074,
 &end
#
# 148 TYR  HN    148 TYR  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2089, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 148 TYR  HN    148 TYR  HB2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2091, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 148 TYR  HN    148 TYR  HB2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2091, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 148 TYR  HN    148 TYR  HB2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2091, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 148 TYR  HN    148 TYR  HB3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2092, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 148 TYR  HN    148 TYR  HB3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2092, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 148 TYR  HN    148 TYR  HB3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2092, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 148 TYR  HN    148 TYR  QD       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=2087,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2095,2104,
 &end
#
# 148 TYR  HN    148 TYR  QD       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=2087,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2095,2104,
 &end
#
# 148 TYR  HN    148 TYR  QD       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=2087,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2095,2104,
 &end
#
# 148 TYR  HN    149 ALA  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2108, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 148 TYR  HN    149 ALA  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2108, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 148 TYR  HN    149 ALA  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2108, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 148 TYR  HN    149 ALA  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2108, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 148 TYR  HN    149 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2110, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 148 TYR  HN    149 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2110, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 148 TYR  HN    149 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2087,2110, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 148 TYR  HA    148 TYR  HB2      4.29
 &rst
  ixpk= 0, nxpk= 0, iat=2089,2091, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 148 TYR  HA    148 TYR  HB3      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=2089,2092, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 148 TYR  HA    148 TYR  QD       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=2089,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=2095,2104,
 &end
#
# 148 TYR  HA    148 TYR  QD       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=2089,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=2095,2104,
 &end
#
# 148 TYR  HA    148 TYR  QD       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=2089,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=2095,2104,
 &end
#
# 148 TYR  HA    149 ALA  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=2089,2108, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 148 TYR  HA    149 ALA  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat=2089,2108, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 148 TYR  HB2   148 TYR  HB3      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=2091,2092, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 148 TYR  HB2   149 ALA  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=2091,2108, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 148 TYR  HB2   149 ALA  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=2091,2108, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 148 TYR  HB2   149 ALA  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=2091,2108, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 148 TYR  HB2   149 ALA  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=2091,2108, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 148 TYR  HB3   149 ALA  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=2092,2108, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 148 TYR  HB3   149 ALA  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=2092,2108, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 148 TYR  HB3   149 ALA  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=2092,2108, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 148 TYR  HB3   149 ALA  QB       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=2092,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=2112,2113,2114,
 &end
#
# 148 TYR  HB3   149 ALA  QB       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=2092,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=2112,2113,2114,
 &end
#
# 148 TYR  HB3   149 ALA  QB       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=2092,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=2112,2113,2114,
 &end
#
# 148 TYR  QD    148 TYR  HB2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2091, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=2095,2104,
 &end
#
# 148 TYR  QD    148 TYR  HB3      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2095,2104,
 &end
#
# 148 TYR  QD    149 ALA  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=2095,2104,
 &end
#
# 148 TYR  QD    149 ALA  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=2095,2104,
 &end
#
# 148 TYR  QD    149 ALA  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=2095,2104,
 &end
#
# 148 TYR  QD    149 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2095,2104,
 &end
#
# 148 TYR  QD    149 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2095,2104,
 &end
#
# 148 TYR  QD    149 ALA  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2095,2104,
 &end
#
# 148 TYR  QD    149 ALA  QB       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=2095,2104,
 igr2=2112,2113,2114,
 &end
#
# 148 TYR  QD    149 ALA  QB       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=2095,2104,
 igr2=2112,2113,2114,
 &end
#
# 148 TYR  QD    149 ALA  QB       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=2095,2104,
 igr2=2112,2113,2114,
 &end
#
# 149 ALA  HN    149 ALA  HA       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=2108,2110, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 149 ALA  HN    149 ALA  QB       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=2108,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=2112,2113,2114,
 &end
#
# 149 ALA  HN    149 ALA  QB       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=2108,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=2112,2113,2114,
 &end
#
# 149 ALA  HN    149 ALA  QB       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=2108,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=2112,2113,2114,
 &end
#
# 149 ALA  HN    150 CYX  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=2108,2118, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 149 ALA  HN    150 CYX  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=2108,2118, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 149 ALA  HN    150 CYX  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=2108,2118, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 149 ALA  HN    150 CYX  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=2108,2118, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 149 ALA  HN    150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2108,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 149 ALA  HN    150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2108,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 149 ALA  HN    150 CYX  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2108,2123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 149 ALA  HA    150 CYX  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=2110,2118, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 149 ALA  HA    150 CYX  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat=2110,2118, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 149 ALA  HA    150 CYX  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat=2110,2118, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 149 ALA  HA    150 CYX  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat=2110,2118, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 149 ALA  HA    150 CYX  HB2      5.54
 &rst
  ixpk= 0, nxpk= 0, iat=2110,2123, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
# 149 ALA  HA    150 CYX  HB2      5.54
 &rst
  ixpk= 0, nxpk= 0, iat=2110,2123, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
# 149 ALA  HA    150 CYX  HB2      5.54
 &rst
  ixpk= 0, nxpk= 0, iat=2110,2123, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
# 149 ALA  HA    150 CYX  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2110,2122, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 149 ALA  HA    150 CYX  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2110,2122, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 149 ALA  HA    150 CYX  HB3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2110,2122, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 149 ALA  QB    150 CYX  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=2112,2113,2114,
 &end
#
# 149 ALA  QB    149 ALA  HA       3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=2112,2113,2114,
 &end
#
# 149 ALA  QB    150 CYX  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=2112,2113,2114,
 &end
#
# 149 ALA  QB    150 CYX  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=2112,2113,2114,
 &end
#
# 149 ALA  QB    150 CYX  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=2112,2113,2114,
 &end
#
# 149 ALA  QB    150 CYX  HA       5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=2112,2113,2114,
 &end
#
# 149 ALA  QB    150 CYX  HA       5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=2112,2113,2114,
 &end
#
# 149 ALA  QB    150 CYX  HA       5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=2112,2113,2114,
 &end
#
# 149 ALA  QB    151 GLY  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=2112,2113,2114,
 &end
#
# 149 ALA  QB    151 GLY  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=2112,2113,2114,
 &end
#
# 149 ALA  QB    151 GLY  HN       5.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2128, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=2112,2113,2114,
 &end
#
# 150 CYX  HN    150 CYX  HA       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=2118,2120, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 150 CYX  HN    150 CYX  HB2      4.37
 &rst
  ixpk= 0, nxpk= 0, iat=2118,2123, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 150 CYX  HN    150 CYX  HB2      4.37
 &rst
  ixpk= 0, nxpk= 0, iat=2118,2123, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 150 CYX  HN    150 CYX  HB2      4.37
 &rst
  ixpk= 0, nxpk= 0, iat=2118,2123, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 150 CYX  HN    150 CYX  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=2118,2122, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 150 CYX  HN    150 CYX  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=2118,2122, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 150 CYX  HN    150 CYX  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=2118,2122, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 150 CYX  HN    151 GLY  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=2118,2128, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 150 CYX  HA    150 CYX  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2123, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 150 CYX  HA    150 CYX  HB3      4.80
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2122, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 150 CYX  HA    151 GLY  HN       2.97
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2128, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 150 CYX  HA    151 GLY  HN       3.38
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2128, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 150 CYX  HA    151 GLY  HN       3.38
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2128, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 150 CYX  HA    151 GLY  HN       3.38
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2128, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 150 CYX  HA    151 GLY  HA2      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2130, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
# 150 CYX  HA    151 GLY  HA2      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2130, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
# 150 CYX  HA    151 GLY  HA2      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2130, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
# 150 CYX  HA    151 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2131, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 150 CYX  HA    151 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2131, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 150 CYX  HA    151 GLY  HA3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2120,2131, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 150 CYX  HB2   151 GLY  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=2123,2128, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 150 CYX  HB2   151 GLY  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=2123,2128, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 150 CYX  HB2   151 GLY  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=2123,2128, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 150 CYX  HB2   151 GLY  HN       5.72
 &rst
  ixpk= 0, nxpk= 0, iat=2123,2128, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 150 CYX  HB3   150 CYX  HB2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=2122,2123, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 150 CYX  HB3   151 GLY  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=2122,2128, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 150 CYX  HB3   151 GLY  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=2122,2128, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 150 CYX  HB3   151 GLY  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=2122,2128, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 151 GLY  HN    151 GLY  HA2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2130, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 151 GLY  HN    151 GLY  HA3      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2131, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 151 GLY  HN    152 VAL  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2135, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 151 GLY  HN    152 VAL  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2135, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 151 GLY  HN    152 VAL  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2135, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 151 GLY  HN    152 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 151 GLY  HN    152 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 151 GLY  HN    152 VAL  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2137, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 151 GLY  HA2   151 GLY  HA3      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2130,2131, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 151 GLY  HA2   152 VAL  HN       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=2130,2135, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 151 GLY  HA2   152 VAL  QG2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=2130,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=2145,2146,2147,
 &end
#
# 151 GLY  HA2   152 VAL  QG2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=2130,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=2145,2146,2147,
 &end
#
# 151 GLY  HA2   152 VAL  QG2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=2130,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=2145,2146,2147,
 &end
#
# 151 GLY  HA3   152 VAL  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=2131,2135, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 151 GLY  HA3   152 VAL  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=2131,2135, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 151 GLY  HA3   152 VAL  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=2131,2135, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 152 VAL  HN    152 VAL  HA       3.83
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2137, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 152 VAL  HN    152 VAL  HB       3.43
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2139, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 152 VAL  HN    152 VAL  HB       3.43
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2139, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 152 VAL  HN    152 VAL  HB       3.43
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2139, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 152 VAL  HN    152 VAL  QG1      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=2141,2142,2143,
 &end
#
# 152 VAL  HN    152 VAL  QG1      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=2141,2142,2143,
 &end
#
# 152 VAL  HN    152 VAL  QG1      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=2141,2142,2143,
 &end
#
# 152 VAL  HN    152 VAL  QG2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=2145,2146,2147,
 &end
#
# 152 VAL  HN    152 VAL  QG2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=2145,2146,2147,
 &end
#
# 152 VAL  HN    152 VAL  QG2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=2145,2146,2147,
 &end
#
# 152 VAL  HA    152 VAL  HB       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2139, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 152 VAL  HA    152 VAL  QG1      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=2141,2142,2143,
 &end
#
# 152 VAL  HA    152 VAL  QG1      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=2141,2142,2143,
 &end
#
# 152 VAL  HA    152 VAL  QG1      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=2141,2142,2143,
 &end
#
# 152 VAL  HA    152 VAL  QG2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=2145,2146,2147,
 &end
#
# 152 VAL  HA    152 VAL  QG2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=2145,2146,2147,
 &end
#
# 152 VAL  HA    152 VAL  QG2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=2145,2146,2147,
 &end
#
# 152 VAL  HA    153 ILE  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2151, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 152 VAL  HA    153 ILE  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2151, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 152 VAL  HA    153 ILE  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2151, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 152 VAL  HA    153 ILE  HA       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2153, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 152 VAL  HA    153 ILE  HA       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2153, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 152 VAL  HA    153 ILE  HA       5.78
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2153, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 152 VAL  HA    153 ILE  HB       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2155, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 152 VAL  HA    153 ILE  HB       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2155, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 152 VAL  HA    153 ILE  HB       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=2137,2155, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 152 VAL  HB    152 VAL  QG1      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=2139,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=2141,2142,2143,
 &end
#
# 152 VAL  HB    152 VAL  QG2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=2139,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=2145,2146,2147,
 &end
#
# 152 VAL  HB    153 ILE  HN       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2151, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 152 VAL  HB    153 ILE  HN       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2151, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 152 VAL  HB    153 ILE  HN       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2151, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 152 VAL  HB    153 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2153, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 152 VAL  HB    153 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2153, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 152 VAL  HB    153 ILE  HA       6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2153, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 152 VAL  QG1   152 VAL  QG2      3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=2141,2142,2143,
 igr2=2145,2146,2147,
 &end
#
# 152 VAL  QG1   153 ILE  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=2141,2142,2143,
 &end
#
# 152 VAL  QG1   153 ILE  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=2141,2142,2143,
 &end
#
# 152 VAL  QG1   153 ILE  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=2141,2142,2143,
 &end
#
# 152 VAL  QG1   154 LYS  HE2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2183, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=2141,2142,2143,
 &end
#
# 152 VAL  QG1   154 LYS  HE2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2183, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=2141,2142,2143,
 &end
#
# 152 VAL  QG1   154 LYS  HE2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2183, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=2141,2142,2143,
 &end
#
# 152 VAL  QG1   154 LYS  HE3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2184, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2141,2142,2143,
 &end
#
# 152 VAL  QG1   154 LYS  HE3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2184, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2141,2142,2143,
 &end
#
# 152 VAL  QG1   154 LYS  HE3      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2184, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2141,2142,2143,
 &end
#
# 153 ILE  HN    153 ILE  HA       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2153, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 153 ILE  HN    153 ILE  HB       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2155, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 153 ILE  HN    153 ILE  HB       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2155, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 153 ILE  HN    153 ILE  HB       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2155, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 153 ILE  HN    153 ILE  HG12     3.98
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2161, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 153 ILE  HN    153 ILE  HG12     3.98
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2161, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 153 ILE  HN    153 ILE  HG12     3.98
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2161, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 153 ILE  HN    153 ILE  HG13     4.08
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2162, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 153 ILE  HN    153 ILE  HG13     4.08
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2162, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 153 ILE  HN    153 ILE  HG13     4.08
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2162, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 153 ILE  HN    153 ILE  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HN    153 ILE  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HN    153 ILE  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HN    153 ILE  QG2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=2157,2158,2159,
 &end
#
# 153 ILE  HN    153 ILE  QG2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=2157,2158,2159,
 &end
#
# 153 ILE  HN    153 ILE  QG2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=2157,2158,2159,
 &end
#
# 153 ILE  HN    154 LYS  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2170, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 153 ILE  HN    154 LYS  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2170, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 153 ILE  HN    154 LYS  HN       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2170, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 153 ILE  HA    153 ILE  HB       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2155, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 153 ILE  HA    153 ILE  HG12     4.65
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2161, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 153 ILE  HA    153 ILE  HG12     4.65
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2161, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 153 ILE  HA    153 ILE  HG12     4.65
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2161, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 153 ILE  HA    153 ILE  HG13     5.60
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2162, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 153 ILE  HA    153 ILE  QD1      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HA    153 ILE  QD1      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HA    153 ILE  QD1      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HA    153 ILE  QG2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=2157,2158,2159,
 &end
#
# 153 ILE  HA    153 ILE  QG2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=2157,2158,2159,
 &end
#
# 153 ILE  HA    153 ILE  QG2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=2157,2158,2159,
 &end
#
# 153 ILE  HA    154 LYS  HN       3.25
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2170, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 153 ILE  HA    154 LYS  HN       3.25
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2170, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 153 ILE  HA    154 LYS  HN       3.25
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2170, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 153 ILE  HA    154 LYS  HA       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2172, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 153 ILE  HA    154 LYS  HA       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2172, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 153 ILE  HA    154 LYS  HA       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2172, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 153 ILE  HA    154 LYS  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2174, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 153 ILE  HA    154 LYS  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2174, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 153 ILE  HA    154 LYS  HB2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2174, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 153 ILE  HA    154 LYS  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2177, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 153 ILE  HA    154 LYS  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2177, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 153 ILE  HA    154 LYS  HG2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2177, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 153 ILE  HA    154 LYS  HG3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2178, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 153 ILE  HA    154 LYS  HG3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2178, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 153 ILE  HA    154 LYS  HG3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2178, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 153 ILE  HB    153 ILE  HG13     3.89
 &rst
  ixpk= 0, nxpk= 0, iat=2155,2162, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 153 ILE  HB    153 ILE  QD1      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=2155,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HB    153 ILE  QD1      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=2155,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HB    153 ILE  QD1      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=2155,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HB    153 ILE  QG2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=2155,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=2157,2158,2159,
 &end
#
# 153 ILE  HB    154 LYS  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=2155,2170, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
# 153 ILE  HB    154 LYS  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=2155,2170, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
# 153 ILE  HB    154 LYS  HN       5.51
 &rst
  ixpk= 0, nxpk= 0, iat=2155,2170, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
# 153 ILE  HG12  153 ILE  QD1      4.24
 &rst
  ixpk= 0, nxpk= 0, iat=2161,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HG13  153 ILE  HG12     3.40
 &rst
  ixpk= 0, nxpk= 0, iat=2162,2161, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 153 ILE  HG13  153 ILE  QD1      3.20
 &rst
  ixpk= 0, nxpk= 0, iat=2162,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=2164,2165,2166,
 &end
#
# 153 ILE  HG13  154 LYS  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=2162,2170, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 153 ILE  HG13  154 LYS  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=2162,2170, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 153 ILE  HG13  154 LYS  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=2162,2170, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 153 ILE  QG2   153 ILE  HG12     4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2161, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2157,2158,2159,
 &end
#
# 153 ILE  QG2   153 ILE  HG13     3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2162, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=2157,2158,2159,
 &end
#
# 153 ILE  QG2   153 ILE  HG13     3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2162, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=2157,2158,2159,
 &end
#
# 153 ILE  QG2   153 ILE  HG13     3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2162, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=2157,2158,2159,
 &end
#
# 153 ILE  QG2   154 LYS  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2170, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=2157,2158,2159,
 &end
#
# 153 ILE  QG2   154 LYS  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2170, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=2157,2158,2159,
 &end
#
# 153 ILE  QG2   154 LYS  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2170, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=2157,2158,2159,
 &end
#
# 153 ILE  QG2   154 LYS  HA       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2157,2158,2159,
 &end
#
# 153 ILE  QG2   154 LYS  HA       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2157,2158,2159,
 &end
#
# 153 ILE  QG2   154 LYS  HA       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2157,2158,2159,
 &end
#
# 154 LYS  HN    154 LYS  HA       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=2170,2172, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 154 LYS  HN    154 LYS  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=2170,2174, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 154 LYS  HN    154 LYS  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=2170,2174, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 154 LYS  HN    154 LYS  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=2170,2174, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 154 LYS  HN    154 LYS  HB3      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=2170,2175, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 154 LYS  HN    154 LYS  HB3      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=2170,2175, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 154 LYS  HN    154 LYS  HB3      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=2170,2175, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 154 LYS  HN    154 LYS  HG3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=2170,2178, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 154 LYS  HN    154 LYS  HG3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=2170,2178, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 154 LYS  HN    154 LYS  HG3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=2170,2178, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 154 LYS  HA    154 LYS  HB2      3.64
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2174, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 154 LYS  HA    154 LYS  HB3      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2175, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 154 LYS  HA    154 LYS  HE3      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2184, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
# 154 LYS  HA    154 LYS  HE3      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2184, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
# 154 LYS  HA    154 LYS  HE3      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2184, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
# 154 LYS  HA    154 LYS  HG2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2177, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 154 LYS  HA    154 LYS  HG2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2177, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 154 LYS  HA    154 LYS  HG2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2177, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 154 LYS  HA    154 LYS  HG3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2178, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 154 LYS  HA    154 LYS  HG3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2178, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 154 LYS  HA    154 LYS  HG3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2178, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 154 LYS  HA    154 LYS  QD       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2180,2181,
 &end
#
# 154 LYS  HA    154 LYS  QD       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2180,2181,
 &end
#
# 154 LYS  HA    154 LYS  QD       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2180,2181,
 &end
#
# 154 LYS  HB2   154 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2183, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 154 LYS  HB2   154 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2183, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 154 LYS  HB2   154 LYS  HE2      6.05
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2183, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
# 154 LYS  HB2   154 LYS  HE3      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2184, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 154 LYS  HB2   154 LYS  HE3      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2184, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 154 LYS  HB2   154 LYS  HE3      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2184, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 154 LYS  HB2   154 LYS  HG2      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2177, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 154 LYS  HB3   154 LYS  HB2      2.88
 &rst
  ixpk= 0, nxpk= 0, iat=2175,2174, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 154 LYS  HB3   154 LYS  HG3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=2175,2178, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 154 LYS  HB3   154 LYS  QD       2.96
 &rst
  ixpk= 0, nxpk= 0, iat=2175,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=2180,2181,
 &end
#
# 154 LYS  HB3   154 LYS  QD       2.96
 &rst
  ixpk= 0, nxpk= 0, iat=2175,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=2180,2181,
 &end
#
# 154 LYS  HB3   154 LYS  QD       2.96
 &rst
  ixpk= 0, nxpk= 0, iat=2175,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=2180,2181,
 &end
#
# 154 LYS  HG2   154 LYS  HE3      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2184, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 154 LYS  HG2   154 LYS  QD       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=2177,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=2180,2181,
 &end
#
# 154 LYS  HG3   154 LYS  HE3      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=2178,2184, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 154 LYS  HG3   154 LYS  HG2      3.02
 &rst
  ixpk= 0, nxpk= 0, iat=2178,2177, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 154 LYS  HG3   154 LYS  QD       3.27
 &rst
  ixpk= 0, nxpk= 0, iat=2178,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=2180,2181,
 &end
#
# 154 LYS  HG3   154 LYS  QD       3.27
 &rst
  ixpk= 0, nxpk= 0, iat=2178,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=2180,2181,
 &end
#
# 154 LYS  HG3   154 LYS  QD       3.27
 &rst
  ixpk= 0, nxpk= 0, iat=2178,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=2180,2181,
 &end
#
# 154 LYS  QD    154 LYS  HE2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2183, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=2180,2181,
 &end
#
# 154 LYS  QD    154 LYS  HE3      3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2184, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=2180,2181,
 &end
#
# 155  CU  CU    48 HIE   ND1      2.80   
 &rst
  ixpk= 0, nxpk= 0, iat=2191, 689, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 155  CU  CU    50 HID   NE2      2.80   
 &rst
  ixpk= 0, nxpk= 0, iat=2191, 729, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 155  CU  CU   128 HID   NE2      2.80  
 &rst
  ixpk= 0, nxpk= 0, iat=2191,1833, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 156  ZN  ZN    73 HIC   ND1      2.80   
 &rst
  ixpk= 0, nxpk= 0, iat=2192,1007, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 156  ZN  ZN    82 HIF   ND1      2.80  
 &rst
  ixpk= 0, nxpk= 0, iat=2192,1143, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 156  ZN  ZN    90 HIG   ND1      2.80   
 &rst
  ixpk= 0, nxpk= 0, iat=2192,1242, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 156  ZN  ZN    93 ASM   OD1      2.80  
 &rst
  ixpk= 0, nxpk= 0, iat=2192,1285, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
# 2192 atoms read from pdb file ../PreP_PDB/str_1/prm_1.pdb.
# 1 ALA PSI:  (1 ALA N)-(1 ALA CA)-(1 ALA C)-(2 SER N)  15.0 220.0
 &rst     iat =     1,     5,    11,    13,
   r1 =  14.0, r2 =  15.0, r3 = 205.0, r4 = 206.0,
   rk2 =  30.0, rk3 =  30.0,    &end

# 2 SER PHI:  (1 ALA C)-(2 SER N)-(2 SER CA)-(2 SER C) -200.0 -80.0
 &rst     iat =    11,    13,    15,    22,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 2 SER PSI:  (2 SER N)-(2 SER CA)-(2 SER C)-(3 GLU N)  40.0 220.0
 &rst     iat =    13,    15,    22,    24,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 3 GLU PHI:  (2 SER C)-(3 GLU N)-(3 GLU CA)-(3 GLU C) -200.0 -80.0
 &rst     iat =    22,    24,    26,    37,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 3 GLU PSI:  (3 GLU N)-(3 GLU CA)-(3 GLU C)-(4 LYS N)  25.0 195.0
 &rst     iat =    24,    26,    37,    39,
   r1 =  24.0, r2 =  25.0, r3 = 195.0, r4 = 196.0,
 &end

# 4 LYS PHI:  (3 GLU C)-(4 LYS N)-(4 LYS CA)-(4 LYS C) -185.0  75.0
 &rst     iat =    37,    39,    41,    59,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 4 LYS PSI:  (4 LYS N)-(4 LYS CA)-(4 LYS C)-(5 VAL N)   5.0 205.0
 &rst     iat =    39,    41,    59,    61,
   r1 =   4.0, r2 =   5.0, r3 = 205.0, r4 = 206.0,
 &end

# 5 VAL PHI:  (4 LYS C)-(5 VAL N)-(5 VAL CA)-(5 VAL C) -200.0 -50.0
 &rst     iat =    59,    61,    63,    75,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 5 VAL PSI:  (5 VAL N)-(5 VAL CA)-(5 VAL C)-(6 GLY N)  80.0 180.0
 &rst     iat =    61,    63,    75,    77,
   r1 =  79.0, r2 =  80.0, r3 = 180.0, r4 = 181.0,
 &end

# 6 GLY PHI:  (5 VAL C)-(6 GLY N)-(6 GLY CA)-(6 GLY C) -100.0 -50.0
 &rst     iat =    75,    77,    79,    82,
   r1 = -101.0, r2 = -100.0, r3 = -50.0, r4 = -49.0,
 &end

# 7 MET PHI:  (6 GLY C)-(7 MET N)-(7 MET CA)-(7 MET C) -170.0 -70.0
 &rst     iat =    82,    84,    86,    99,
   r1 = -171.0, r2 = -170.0, r3 = -80.0, r4 = -79.0,
 &end

# 7 MET PSI:  (7 MET N)-(7 MET CA)-(7 MET C)-(8 ASN N)  80.0 180.0
 &rst     iat =    84,    86,    99,   101,
   r1 =  79.0, r2 =  80.0, r3 = 180.0, r4 = 181.0,
 &end

# 8 ASN PHI:  (7 MET C)-(8 ASN N)-(8 ASN CA)-(8 ASN C) -200.0 -80.0
 &rst     iat =    99,   101,   103,   113,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 8 ASN PSI:  (8 ASN N)-(8 ASN CA)-(8 ASN C)-(9 LEU N)  40.0 220.0
 &rst     iat =   101,   103,   113,   115,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 9 LEU PHI:  (8 ASN C)-(9 LEU N)-(9 LEU CA)-(9 LEU C) -185.0  65.0
 &rst     iat =   113,   115,   117,   132,
   r1 = -186.0, r2 = -185.0, r3 =  65.0, r4 =  66.0,
 &end

# 9 LEU PSI:  (9 LEU N)-(9 LEU CA)-(9 LEU C)-(10 VAL N) -10.0  180.0
 &rst     iat =   115,   117,   132,   134,
   r1 = -296.0, r2 = -295.0, r3 =  55.0, r4 =  56.0,
 &end

# 10 VAL PHI:  (9 LEU C)-(10 VAL N)-(10 VAL CA)-(10 VAL C) -165.0  75.0
 &rst     iat =   132,   134,   136,   148,
   r1 = -166.0, r2 = -165.0, r3 =  75.0, r4 =  76.0,
 &end

# 10 VAL PSI:  (10 VAL N)-(10 VAL CA)-(10 VAL C)-(11 THR N) 115.0 195.0
 &rst     iat =   134,   136,   148,   150,
   r1 = 114.0, r2 = 115.0, r3 = 195.0, r4 = 196.0,
 &end

# 11 THR PHI:  (10 VAL C)-(11 THR N)-(11 THR CA)-(11 THR C) -200.0 -80.0
 &rst     iat =   148,   150,   152,   162,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 11 THR PSI:  (11 THR N)-(11 THR CA)-(11 THR C)-(12 ALA N)  40.0 220.0
 &rst     iat =   150,   152,   162,   164,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 12 ALA PHI:  (11 THR C)-(12 ALA N)-(12 ALA CA)-(12 ALA C) -100.0  150.0
 &rst     iat =   162,   164,   166,   172,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 12 ALA PSI:  (12 ALA N)-(12 ALA CA)-(12 ALA C)-(13 GLN N) -85.0 135.0
 &rst     iat =   164,   166,   172,   174,
   r1 = -86.0, r2 = -85.0, r3 = 135.0, r4 = 136.0,
 &end

# 13 GLN PHI:  (12 ALA C)-(13 GLN N)-(13 GLN CA)-(13 GLN C) -150.0 -45.0
 &rst     iat =   172,   174,   176,   189,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 13 GLN PSI:  (13 GLN N)-(13 GLN CA)-(13 GLN C)-(14 GLY N) -85.0  95.0
 &rst     iat =   174,   176,   189,   191,
   r1 = -86.0, r2 = -85.0, r3 =  95.0, r4 =  96.0,
 &end

# 14 GLY PHI:  (13 GLN C)-(14 GLY N)-(14 GLY CA)-(14 GLY C)  0.0 150.0
 &rst     iat =   189,   191,   193,   196,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 14 GLY PSI:  (14 GLY N)-(14 GLY CA)-(14 GLY C)-(15 VAL N) -275.0  35.0
 &rst     iat =   191,   193,   196,   198,
   r1 = -276.0, r2 = -275.0, r3 =  35.0, r4 =  36.0,
 &end

# 15 VAL PHI:  (14 GLY C)-(15 VAL N)-(15 VAL CA)-(15 VAL C) -150.0 -10.0
 &rst     iat =   196,   198,   200,   212,
   r1 = -166.0, r2 = -165.0, r3 = -45.0, r4 = -44.0,
 &end

# 15 VAL PSI:  (15 VAL N)-(15 VAL CA)-(15 VAL C)-(16 GLY N)  40.0 220.0
 &rst     iat =   198,   200,   212,   214,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 16 GLY PHI:  (15 VAL C)-(16 GLY N)-(16 GLY CA)-(16 GLY C) -315.0 -45.0
 &rst     iat =   212,   214,   216,   219,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 17 GLN PHI:  (16 GLY C)-(17 GLN N)-(17 GLN CA)-(17 GLN C) -200.0 -80.0
 &rst     iat =   219,   221,   223,   236,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 17 GLN PSI:  (17 GLN N)-(17 GLN CA)-(17 GLN C)-(18 SER N)  40.0 220.0
 &rst     iat =   221,   223,   236,   238,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 18 SER PHI:  (17 GLN C)-(18 SER N)-(18 SER CA)-(18 SER C) -150.0 -30.0
 &rst     iat =   236,   238,   240,   247,
   r1 = -101.0, r2 = -100.0, r3 = -10.0, r4 =  -9.0,
 &end

# 18 SER PSI:  (18 SER N)-(18 SER CA)-(18 SER C)-(19 ILE N)  90.0 220.0
 &rst     iat =   238,   240,   247,   249,
   r1 =  39.0, r2 =  40.0, r3 = 180.0, r4 = 181.0,
 &end

# 19 ILE PHI:  (18 SER C)-(19 ILE N)-(19 ILE CA)-(19 ILE C) -150.0 -100.0
 &rst     iat =   247,   249,   251,   266,
   r1 = -151.0, r2 = -150.0, r3 = -100.0, r4 = -99.0,
 &end

# 19 ILE PSI:  (19 ILE N)-(19 ILE CA)-(19 ILE C)-(20 GLY N) -40.0 100.0
 &rst     iat =   249,   251,   266,   268,
   r1 =   9.0, r2 =  10.0, r3 = 180.0, r4 = 181.0,
 &end

# 21 THR PHI:  (20 GLY C)-(21 THR N)-(21 THR CA)-(21 THR C) -200.0 -80.0
 &rst     iat =   273,   275,   277,   287,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 21 THR PSI:  (21 THR N)-(21 THR CA)-(21 THR C)-(22 VAL N)  40.0 220.0
 &rst     iat =   275,   277,   287,   289,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 22 VAL PHI:  (21 THR C)-(22 VAL N)-(22 VAL CA)-(22 VAL C) -200.0 -80.0
 &rst     iat =   287,   289,   291,   303,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 22 VAL PSI:  (22 VAL N)-(22 VAL CA)-(22 VAL C)-(23 VAL N)  80.0 180.0
 &rst     iat =   289,   291,   303,   305,
   r1 =  79.0, r2 =  80.0, r3 = 180.0, r4 = 181.0,
 &end

# 23 VAL PHI:  (22 VAL C)-(23 VAL N)-(23 VAL CA)-(23 VAL C) -185.0  65.0
 &rst     iat =   303,   305,   307,   319,
   r1 = -186.0, r2 = -185.0, r3 =  65.0, r4 =  66.0,
 &end

# 23 VAL PSI:  (23 VAL N)-(23 VAL CA)-(23 VAL C)-(24 ILE N)   5.0 195.0
 &rst     iat =   305,   307,   319,   321,
   r1 =   4.0, r2 =   5.0, r3 = 195.0, r4 = 196.0,
 &end

# 24 ILE PHI:  (23 VAL C)-(24 ILE N)-(24 ILE CA)-(24 ILE C) -200.0 -80.0
 &rst     iat =   319,   321,   323,   338,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 24 ILE PSI:  (24 ILE N)-(24 ILE CA)-(24 ILE C)-(25 ASP N)  80.0 180.0
 &rst     iat =   321,   323,   338,   340,
   r1 =  79.0, r2 =  80.0, r3 = 180.0, r4 = 181.0,
 &end

# 25 ASP PHI:  (24 ILE C)-(25 ASP N)-(25 ASP CA)-(25 ASP C) -200.0 -80.0
 &rst     iat =   338,   340,   342,   350,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 25 ASP PSI:  (25 ASP N)-(25 ASP CA)-(25 ASP C)-(26 GLU N)  40.0 220.0
 &rst     iat =   340,   342,   350,   352,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 26 GLU PHI:  (25 ASP C)-(26 GLU N)-(26 GLU CA)-(26 GLU C) -185.0  75.0
 &rst     iat =   350,   352,   354,   365,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 26 GLU PSI:  (26 GLU N)-(26 GLU CA)-(26 GLU C)-(27 THR N)   5.0 195.0
 &rst     iat =   352,   354,   365,   367,
   r1 =   4.0, r2 =   5.0, r3 = 195.0, r4 = 196.0,
 &end

# 27 THR PHI:  (26 GLU C)-(27 THR N)-(27 THR CA)-(27 THR C) -200.0 -80.0
 &rst     iat =   365,   367,   369,   379,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 27 THR PSI:  (27 THR N)-(27 THR CA)-(27 THR C)-(28 GLU N)  40.0 220.0
 &rst     iat =   367,   369,   379,   381,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 28 GLU PHI:  (27 THR C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) -185.0  75.0
 &rst     iat =   379,   381,   383,   394,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 28 GLU PSI:  (28 GLU N)-(28 GLU CA)-(28 GLU C)-(29 GLY N) -85.0 115.0
 &rst     iat =   381,   383,   394,   396,
   r1 = -86.0, r2 = -85.0, r3 = 115.0, r4 = 116.0,
 &end

# 29 GLY PHI:  (28 GLU C)-(29 GLY N)-(29 GLY CA)-(29 GLY C) -315.0 -45.0
 &rst     iat =   394,   396,   398,   401,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 29 GLY PSI:  (29 GLY N)-(29 GLY CA)-(29 GLY C)-(30 GLY N) -115.0 115.0
 &rst     iat =   396,   398,   401,   403,
   r1 = -116.0, r2 = -115.0, r3 = 115.0, r4 = 116.0,
 &end

# 31 LEU PHI:  (30 GLY C)-(31 LEU N)-(31 LEU CA)-(31 LEU C) -185.0  75.0
 &rst     iat =   408,   410,   412,   427,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 31 LEU PSI:  (31 LEU N)-(31 LEU CA)-(31 LEU C)-(32 LYS N)  15.0 205.0
 &rst     iat =   410,   412,   427,   429,
   r1 =  14.0, r2 =  15.0, r3 = 205.0, r4 = 206.0,
 &end

# 32 LYS PHI:  (31 LEU C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -185.0  75.0
 &rst     iat =   427,   429,   431,   449,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 PHE N)  40.0 220.0
 &rst     iat =   429,   431,   449,   451,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 33 PHE PHI:  (32 LYS C)-(33 PHE N)-(33 PHE CA)-(33 PHE C) -200.0 -80.0
 &rst     iat =   449,   451,   453,   469,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 33 PHE PSI:  (33 PHE N)-(33 PHE CA)-(33 PHE C)-(34 THR N)  40.0 220.0
 &rst     iat =   451,   453,   469,   471,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 34 THR PHI:  (33 PHE C)-(34 THR N)-(34 THR CA)-(34 THR C) -200.0 -80.0
 &rst     iat =   469,   471,   473,   483,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 34 THR PSI:  (34 THR N)-(34 THR CA)-(34 THR C)-(35 PRO N)  40.0 220.0
 &rst     iat =   471,   473,   483,   485,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 35 PRO PSI:  (35 PRO N)-(35 PRO CA)-(35 PRO C)-(36 HID N) -55.0 195.0
 &rst     iat =   485,   495,   497,   499,
   r1 = -56.0, r2 = -55.0, r3 = 195.0, r4 = 196.0,
 &end

# 36 HIS PHI:  (35 PRO C)-(36 HID N)-(36 HID CA)-(36 HID C) -185.0  75.0
 &rst     iat =   497,   499,   501,   514,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 37 LEU PHI:  (36 HID C)-(37 LEU N)-(37 LEU CA)-(37 LEU C) -185.0  75.0
 &rst     iat =   514,   516,   518,   533,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 37 LEU PSI:  (37 LEU N)-(37 LEU CA)-(37 LEU C)-(38 LYS N)  40.0 220.0
 &rst     iat =   516,   518,   533,   535,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 38 LYS PHI:  (37 LEU C)-(38 LYS N)-(38 LYS CA)-(38 LYS C) -200.0 -80.0
 &rst     iat =   533,   535,   537,   555,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 38 LYS PSI:  (38 LYS N)-(38 LYS CA)-(38 LYS C)-(39 ALA N)  40.0 220.0
 &rst     iat =   535,   537,   555,   557,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 39 ALA PSI:  (39 ALA N)-(39 ALA CA)-(39 ALA C)-(40 LEU N) -35.0 115.0
 &rst     iat =   557,   559,   565,   567,
   r1 = -36.0, r2 = -35.0, r3 = 115.0, r4 = 116.0,
 &end

# 40 LEU PHI:  (39 ALA C)-(40 LEU N)-(40 LEU CA)-(40 LEU C) -200.0 -80.0
 &rst     iat =   565,   567,   569,   584,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 43 GLY PHI:  (42 PRO C)-(43 GLY N)-(43 GLY CA)-(43 GLY C) -305.0 -55.0
 &rst     iat =   612,   614,   616,   619,
   r1 = -306.0, r2 = -305.0, r3 = -55.0, r4 = -54.0,
 &end

# 43 GLY PSI:  (43 GLY N)-(43 GLY CA)-(43 GLY C)-(44 GLU N) -265.0 -95.0
 &rst     iat =   614,   616,   619,   621,
   r1 = -266.0, r2 = -265.0, r3 = -95.0, r4 = -94.0,
 &end

# 44 GLU PHI:  (43 GLY C)-(44 GLU N)-(44 GLU CA)-(44 GLU C) -185.0  75.0
 &rst     iat =   619,   621,   623,   634,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 44 GLU PSI:  (44 GLU N)-(44 GLU CA)-(44 GLU C)-(45 HIP N)  40.0 220.0
 &rst     iat =   621,   623,   634,   636,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 46 GLY PHI:  (45 HIP C)-(46 GLY N)-(46 GLY CA)-(46 GLY C) -315.0 -45.0
 &rst     iat =   652,   654,   656,   659,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 46 GLY PSI:  (46 GLY N)-(46 GLY CA)-(46 GLY C)-(47 PHE N)  80.0 180.0
 &rst     iat =   654,   656,   659,   661,
   r1 =  79.0, r2 =  80.0, r3 = 180.0, r4 = 181.0,
 &end

# 47 PHE PHI:  (46 GLY C)-(47 PHE N)-(47 PHE CA)-(47 PHE C) -200.0 -80.0
 &rst     iat =   659,   661,   663,   679,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 47 PHE PSI:  (47 PHE N)-(47 PHE CA)-(47 PHE C)-(48 HIE N)  40.0 220.0
 &rst     iat =   661,   663,   679,   681,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 48 HIS PHI:  (47 PHE C)-(48 HIE N)-(48 HIE CA)-(48 HIE C) -315.0 -45.0
 &rst     iat =   679,   681,   683,   696,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 48 HIS PSI:  (48 HIE N)-(48 HIE CA)-(48 HIE C)-(49 ILE N) -85.0 195.0
 &rst     iat =   681,   683,   696,   698,
   r1 = -86.0, r2 = -85.0, r3 = 195.0, r4 = 196.0,
 &end

# 49 ILE PHI:  (48 HIE C)-(49 ILE N)-(49 ILE CA)-(49 ILE C) -200.0 -80.0
 &rst     iat =   696,   698,   700,   715,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 49 ILE PSI:  (49 ILE N)-(49 ILE CA)-(49 ILE C)-(50 HID N)  40.0 220.0
 &rst     iat =   698,   700,   715,   717,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 51 ALA PHI:  (50 HID C)-(51 ALA N)-(51 ALA CA)-(51 ALA C) -185.0  75.0
 &rst     iat =   732,   734,   736,   742,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 52 ASN PHI:  (51 ALA C)-(52 ASN N)-(52 ASN CA)-(52 ASN C) -200.0 -80.0
 &rst     iat =   742,   744,   746,   756,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 52 ASN PSI:  (52 ASN N)-(52 ASN CA)-(52 ASN C)-(53 GLY N)  40.0 220.0
 &rst     iat =   744,   746,   756,   758,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 53 GLY PHI:  (52 ASN C)-(53 GLY N)-(53 GLY CA)-(53 GLY C) -315.0 -45.0
 &rst     iat =   756,   758,   760,   763,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 54 SER PHI:  (53 GLY C)-(54 SER N)-(54 SER CA)-(54 SER C) -200.0 -80.0
 &rst     iat =   763,   765,   767,   774,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 54 SER PSI:  (54 SER N)-(54 SER CA)-(54 SER C)-(55 CYG N)  40.0 220.0
 &rst     iat =   765,   767,   774,   776,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 56 GLN PHI:  (55 CYG C)-(56 GLN N)-(56 GLN CA)-(56 GLN C) -200.0 -80.0
 &rst     iat =   784,   786,   788,   801,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 56 GLN PSI:  (56 GLN N)-(56 GLN CA)-(56 GLN C)-(57 PRO N)  40.0 220.0
 &rst     iat =   786,   788,   801,   803,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 57 PRO PSI:  (57 PRO N)-(57 PRO CA)-(57 PRO C)-(58 ALA N) 125.0 195.0
 &rst     iat =   803,   813,   815,   817,
   r1 = 124.0, r2 = 125.0, r3 = 195.0, r4 = 196.0,
 &end

# 58 ALA PHI:  (57 PRO C)-(58 ALA N)-(58 ALA CA)-(58 ALA C) -315.0 -45.0
 &rst     iat =   815,   817,   819,   825,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 58 ALA PSI:  (58 ALA N)-(58 ALA CA)-(58 ALA C)-(59 ILE N)   5.0 205.0
 &rst     iat =   817,   819,   825,   827,
   r1 =   4.0, r2 =   5.0, r3 = 205.0, r4 = 206.0,
 &end

# 59 ILE PHI:  (58 ALA C)-(59 ILE N)-(59 ILE CA)-(59 ILE C) -200.0 -80.0
 &rst     iat =   825,   827,   829,   844,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 59 ILE PSI:  (59 ILE N)-(59 ILE CA)-(59 ILE C)-(60 LYS N)  40.0 220.0
 &rst     iat =   827,   829,   844,   846,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 60 LYS PHI:  (59 ILE C)-(60 LYS N)-(60 LYS CA)-(60 LYS C) -200.0 -80.0
 &rst     iat =   844,   846,   848,   866,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 60 LYS PSI:  (60 LYS N)-(60 LYS CA)-(60 LYS C)-(61 ASP N)  40.0 220.0
 &rst     iat =   846,   848,   866,   868,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 61 ASP PHI:  (60 LYS C)-(61 ASP N)-(61 ASP CA)-(61 ASP C) -185.0 105.0
 &rst     iat =   866,   868,   870,   878,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 61 ASP PSI:  (61 ASP N)-(61 ASP CA)-(61 ASP C)-(62 GLY N) -85.0 125.0
 &rst     iat =   868,   870,   878,   880,
   r1 = -86.0, r2 = -85.0, r3 = 125.0, r4 = 126.0,
 &end

# 62 GLY PSI:  (62 GLY N)-(62 GLY CA)-(62 GLY C)-(63 GLN N) -125.0 125.0
 &rst     iat =   880,   882,   885,   887,
   r1 = -126.0, r2 = -125.0, r3 = 125.0, r4 = 126.0,
 &end

# 63 GLN PHI:  (62 GLY C)-(63 GLN N)-(63 GLN CA)-(63 GLN C) -200.0 -80.0
 &rst     iat =   885,   887,   889,   902,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 63 GLN PSI:  (63 GLN N)-(63 GLN CA)-(63 GLN C)-(64 ALA N)  40.0 220.0
 &rst     iat =   887,   889,   902,   904,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 64 ALA PHI:  (63 GLN C)-(64 ALA N)-(64 ALA CA)-(64 ALA C) -200.0 -80.0
 &rst     iat =   902,   904,   906,   912,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 64 ALA PSI:  (64 ALA N)-(64 ALA CA)-(64 ALA C)-(65 VAL N)  40.0 220.0
 &rst     iat =   904,   906,   912,   914,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 65 VAL PSI:  (65 VAL N)-(65 VAL CA)-(65 VAL C)-(66 ALA N)  40.0 220.0
 &rst     iat =   914,   916,   928,   930,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 66 ALA PHI:  (65 VAL C)-(66 ALA N)-(66 ALA CA)-(66 ALA C) -185.0  75.0
 &rst     iat =   928,   930,   932,   938,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 66 ALA PHI:  (65 VAL C)-(66 ALA N)-(66 ALA CA)-(66 ALA C) -315.0 -45.0
 &rst     iat =   928,   930,   932,   938,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 67 ALA PHI:  (66 ALA C)-(67 ALA N)-(67 ALA CA)-(67 ALA C) -315.0 -45.0
 &rst     iat =   938,   940,   942,   948,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 67 ALA PSI:  (67 ALA N)-(67 ALA CA)-(67 ALA C)-(68 GLU N) -85.0 165.0
 &rst     iat =   940,   942,   948,   950,
   r1 = -86.0, r2 = -85.0, r3 = 165.0, r4 = 166.0,
 &end

# 68 GLU PSI:  (68 GLU N)-(68 GLU CA)-(68 GLU C)-(69 ALA N) -80.0  40.0
 &rst     iat =   950,   952,   963,   965,
   r1 = -81.0, r2 = -80.0, r3 =  40.0, r4 =  41.0,
 &end

# 69 ALA PHI:  (68 GLU C)-(69 ALA N)-(69 ALA CA)-(69 ALA C) -90.0 -40.0
 &rst     iat =   963,   965,   967,   973,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 69 ALA PSI:  (69 ALA N)-(69 ALA CA)-(69 ALA C)-(70 ALA N) -80.0  40.0
 &rst     iat =   965,   967,   973,   975,
   r1 = -81.0, r2 = -80.0, r3 =  40.0, r4 =  41.0,
 &end

# 70 ALA PHI:  (69 ALA C)-(70 ALA N)-(70 ALA CA)-(70 ALA C) -90.0 -40.0
 &rst     iat =   973,   975,   977,   983,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 70 ALA PSI:  (70 ALA N)-(70 ALA CA)-(70 ALA C)-(71 GLY N) -80.0  40.0
 &rst     iat =   975,   977,   983,   985,
   r1 = -81.0, r2 = -80.0, r3 =  40.0, r4 =  41.0,
 &end

# 72 GLY PHI:  (71 GLY C)-(72 GLY N)-(72 GLY CA)-(72 GLY C) -315.0 -45.0
 &rst     iat =   990,   992,   994,   997,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 73 HIS PHI:  (72 GLY C)-(73 HIC N)-(73 HIC CA)-(73 HIC C) -185.0  75.0
 &rst     iat =   997,   999,  1001,  1014,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 73 HIS PSI:  (73 HIC N)-(73 HIC CA)-(73 HIC C)-(74 LEU N) -85.0 195.0
 &rst     iat =   999,  1001,  1014,  1016,
   r1 = -86.0, r2 = -85.0, r3 = 195.0, r4 = 196.0,
 &end

# 74 LEU PHI:  (73 HIC C)-(74 LEU N)-(74 LEU CA)-(74 LEU C) -185.0  75.0
 &rst     iat =  1014,  1016,  1018,  1033,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 74 LEU PSI:  (74 LEU N)-(74 LEU CA)-(74 LEU C)-(75 ASP N) -25.0 205.0
 &rst     iat =  1016,  1018,  1033,  1035,
   r1 = -26.0, r2 = -25.0, r3 = 205.0, r4 = 206.0,
 &end

# 75 ASP PHI:  (74 LEU C)-(75 ASP N)-(75 ASP CA)-(75 ASP C)  45.0 235.0
 &rst     iat =  1033,  1035,  1037,  1045,
   r1 =  44.0, r2 =  45.0, r3 = 235.0, r4 = 236.0,
 &end

# 75 ASP PSI:  (75 ASP N)-(75 ASP CA)-(75 ASP C)-(76 PRO N)  40.0 220.0
 &rst     iat =  1035,  1037,  1045,  1047,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 76 PRO PSI:  (76 PRO N)-(76 PRO CA)-(76 PRO C)-(77 GLN N) -55.0 -15.0
 &rst     iat =  1047,  1057,  1059,  1061,
   r1 = -56.0, r2 = -55.0, r3 = -15.0, r4 = -14.0,
 &end

# 77 GLN PHI:  (76 PRO C)-(77 GLN N)-(77 GLN CA)-(77 GLN C) -200.0 -80.0
 &rst     iat =  1059,  1061,  1063,  1076,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 77 GLN PSI:  (77 GLN N)-(77 GLN CA)-(77 GLN C)-(78 ASN N) -85.0  95.0
 &rst     iat =  1061,  1063,  1076,  1078,
   r1 = -86.0, r2 = -85.0, r3 =  95.0, r4 =  96.0,
        &end

# 80 GLY PSI:  (80 GLY N)-(80 GLY CA)-(80 GLY C)-(81 LYS N) -135.0 135.0
 &rst     iat =  1106,  1108,  1111,  1113,
   r1 = -136.0, r2 = -135.0, r3 = 135.0, r4 = 136.0,
 &end

# 81 LYS PHI:  (80 GLY C)-(81 LYS N)-(81 LYS CA)-(81 LYS C) -185.0  75.0
 &rst     iat =  1111,  1113,  1115,  1133,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 82 HIS PHI:  (81 LYS C)-(82 HIF N)-(82 HIF CA)-(82 HIF C) -185.0  75.0
 &rst     iat =  1133,  1135,  1137,  1150,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 82 HIS PHI:  (81 LYS C)-(82 HIF N)-(82 HIF CA)-(82 HIF C) -315.0 -45.0
 &rst     iat =  1133,  1135,  1137,  1150,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 82 HIS PSI:  (82 HIF N)-(82 HIF CA)-(82 HIF C)-(83 GLU N) -85.0 195.0
 &rst     iat =  1135,  1137,  1150,  1152,
   r1 = -86.0, r2 = -85.0, r3 = 195.0, r4 = 196.0,
 &end

# 83 GLU PHI:  (82 HIF C)-(83 GLU N)-(83 GLU CA)-(83 GLU C) -200.0 -80.0
 &rst     iat =  1150,  1152,  1154,  1165,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 84 GLY PSI:  (84 GLY N)-(84 GLY CA)-(84 GLY C)-(85 PRO N) -205.0  85.0
 &rst     iat =  1167,  1169,  1172,  1174,
   r1 = -206.0, r2 = -205.0, r3 =  85.0, r4 =  86.0,
 &end

# 85 PRO PSI:  (85 PRO N)-(85 PRO CA)-(85 PRO C)-(86 GLU N) -295.0   5.0
 &rst     iat =  1174,  1184,  1186,  1188,
   r1 = -296.0, r2 = -295.0, r3 =   5.0, r4 =   6.0,
 &end

# 86 GLU PHI:  (85 PRO C)-(86 GLU N)-(86 GLU CA)-(86 GLU C) -200.0 -80.0
 &rst     iat =  1186,  1188,  1190,  1201,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 86 GLU PSI:  (86 GLU N)-(86 GLU CA)-(86 GLU C)-(87 GLY N)  40.0 220.0
 &rst     iat =  1188,  1190,  1201,  1203,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 88 GLN PHI:  (87 GLY C)-(88 GLN N)-(88 GLN CA)-(88 GLN C) -200.0 -80.0
 &rst     iat =  1208,  1210,  1212,  1225,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 88 GLN PSI:  (88 GLN N)-(88 GLN CA)-(88 GLN C)-(89 GLY N)  40.0 220.0
 &rst     iat =  1210,  1212,  1225,  1227,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 89 GLY PHI:  (88 GLN C)-(89 GLY N)-(89 GLY CA)-(89 GLY C) -315.0 -45.0
 &rst     iat =  1225,  1227,  1229,  1232,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 89 GLY PSI:  (89 GLY N)-(89 GLY CA)-(89 GLY C)-(90 HIG N) -155.0 155.0
 &rst     iat =  1227,  1229,  1232,  1234,
   r1 = -156.0, r2 = -155.0, r3 = 155.0, r4 = 156.0,
 &end

# 90 HIS PHI:  (89 GLY C)-(90 HIG N)-(90 HIG CA)-(90 HIG C) -185.0  75.0
 &rst     iat =  1232,  1234,  1236,  1249,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 90 HIS PSI:  (90 HIG N)-(90 HIG CA)-(90 HIG C)-(91 LEU N) -85.0 195.0
 &rst     iat =  1234,  1236,  1249,  1251,
   r1 = -86.0, r2 = -85.0, r3 = 195.0, r4 = 196.0,
 &end

# 91 LEU PHI:  (90 HIG C)-(91 LEU N)-(91 LEU CA)-(91 LEU C) -315.0 -45.0
 &rst     iat =  1249,  1251,  1253,  1268,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 91 LEU PSI:  (91 LEU N)-(91 LEU CA)-(91 LEU C)-(92 GLY N) -85.0 135.0
 &rst     iat =  1251,  1253,  1268,  1270,
   r1 = -86.0, r2 = -85.0, r3 = 135.0, r4 = 136.0,
 &end

# 92 GLY PHI:  (91 LEU C)-(92 GLY N)-(92 GLY CA)-(92 GLY C) -315.0 -45.0
 &rst     iat =  1268,  1270,  1272,  1275,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 93 ASP PHI:  (92 GLY C)-(93 ASM N)-(93 ASM CA)-(93 ASM C) -185.0  75.0
 &rst     iat =  1275,  1277,  1279,  1287,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 93 ASP PSI:  (93 ASM N)-(93 ASM CA)-(93 ASM C)-(94 LEU N) -85.0 205.0
 &rst     iat =  1277,  1279,  1287,  1289,
   r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
 &end

# 94 LEU PSI:  (94 LEU N)-(94 LEU CA)-(94 LEU C)-(95 PRO N)  40.0 220.0
 &rst     iat =  1289,  1291,  1306,  1308,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 95 PRO PSI:  (95 PRO N)-(95 PRO CA)-(95 PRO C)-(96 VAL N)  20.0 180.0
 &rst     iat =  1308,  1318,  1320,  1322,
   r1 =  19.0, r2 =  20.0, r3 = 180.0, r4 = 181.0,
 &end

# 96 VAL PHI:  (95 PRO C)-(96 VAL N)-(96 VAL CA)-(96 VAL C) -165.0 -45.0
 &rst     iat =  1320,  1322,  1324,  1336,
   r1 = -166.0, r2 = -165.0, r3 = -45.0, r4 = -44.0,
 &end

# 96 VAL PSI:  (96 VAL N)-(96 VAL CA)-(96 VAL C)-(97 LEU N)  40.0 220.0
 &rst     iat =  1322,  1324,  1336,  1338,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 97 LEU PSI:  (97 LEU N)-(97 LEU CA)-(97 LEU C)-(98 VAL N)  40.0 220.0
 &rst     iat =  1338,  1340,  1355,  1357,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 98 VAL PSI:  (98 VAL N)-(98 VAL CA)-(98 VAL C)-(99 VAL N)  40.0 220.0
 &rst     iat =  1357,  1359,  1371,  1373,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 99 VAL PHI:  (98 VAL C)-(99 VAL N)-(99 VAL CA)-(99 VAL C) -200.0 -80.0
 &rst     iat =  1371,  1373,  1375,  1387,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 99 VAL PSI:  (99 VAL N)-(99 VAL CA)-(99 VAL C)-(100 ASN N)  40.0 220.0
 &rst     iat =  1373,  1375,  1387,  1389,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 100 ASN PHI:  (99 VAL C)-(100 ASN N)-(100 ASN CA)-(100 ASN C) -220.0 -40.0
 &rst     iat =  1387,  1389,  1391,  1401,
   r1 = -221.0, r2 = -220.0, r3 = -40.0, r4 = -39.0,
 &end

# 100 ASN PSI:  (100 ASN N)-(100 ASN CA)-(100 ASN C)-(101 ASN N)  40.0 220.0
 &rst     iat =  1389,  1391,  1401,  1403,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 101 ASN PHI:  (100 ASN C)-(101 ASN N)-(101 ASN CA)-(101 ASN C) -185.0  65.0
 &rst     iat =  1401,  1403,  1405,  1415,
   r1 = -186.0, r2 = -185.0, r3 =  65.0, r4 =  66.0,
 &end

# 101 ASN PSI:  (101 ASN N)-(101 ASN CA)-(101 ASN C)-(102 ASP N) -85.0 155.0
 &rst     iat =  1403,  1405,  1415,  1417,
   r1 = -86.0, r2 = -85.0, r3 = 155.0, r4 = 156.0,
 &end

# 102 ASP PHI:  (101 ASN C)-(102 ASP N)-(102 ASP CA)-(102 ASP C) -185.0  65.0
 &rst     iat =  1415,  1417,  1419,  1427,
   r1 = -186.0, r2 = -185.0, r3 =  65.0, r4 =  66.0,
 &end

# 103 GLY PSI:  (103 GLY N)-(103 GLY CA)-(103 GLY C)-(104 ILE N) -115.0 115.0
 &rst     iat =  1429,  1431,  1434,  1436,
   r1 = -116.0, r2 = -115.0, r3 = 115.0, r4 = 116.0,
 &end

# 104 ILE PHI:  (103 GLY C)-(104 ILE N)-(104 ILE CA)-(104 ILE C) -200.0 -80.0
 &rst     iat =  1434,  1436,  1438,  1453,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 104 ILE PSI:  (104 ILE N)-(104 ILE CA)-(104 ILE C)-(105 ALA N)  40.0 220.0
 &rst     iat =  1436,  1438,  1453,  1455,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 105 ALA PSI:  (105 ALA N)-(105 ALA CA)-(105 ALA C)-(106 THR N)  40.0 220.0
 &rst     iat =  1455,  1457,  1463,  1465,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 106 THR PHI:  (105 ALA C)-(106 THR N)-(106 THR CA)-(106 THR C) -200.0 -80.0
 &rst     iat =  1463,  1465,  1467,  1477,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 107 GLU PHI:  (106 THR C)-(107 GLU N)-(107 GLU CA)-(107 GLU C) -185.0  65.0
 &rst     iat =  1477,  1479,  1481,  1492,
   r1 = -186.0, r2 = -185.0, r3 =  65.0, r4 =  66.0,
 &end

# 107 GLU PSI:  (107 GLU N)-(107 GLU CA)-(107 GLU C)-(108 PRO N)  40.0 220.0
 &rst     iat =  1479,  1481,  1492,  1494,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 108 PRO PSI:  (108 PRO N)-(108 PRO CA)-(108 PRO C)-(109 VAL N) -25.0 195.0
 &rst     iat =  1494,  1504,  1506,  1508,
   r1 = -26.0, r2 = -25.0, r3 = 195.0, r4 = 196.0,
 &end

# 109 VAL PHI:  (108 PRO C)-(109 VAL N)-(109 VAL CA)-(109 VAL C) -200.0 -80.0
 &rst     iat =  1506,  1508,  1510,  1522,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 109 VAL PSI:  (109 VAL N)-(109 VAL CA)-(109 VAL C)-(110 THR N)  40.0 220.0
 &rst     iat =  1508,  1510,  1522,  1524,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 110 THR PHI:  (109 VAL C)-(110 THR N)-(110 THR CA)-(110 THR C) -200.0 -80.0
 &rst     iat =  1522,  1524,  1526,  1536,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 110 THR PSI:  (110 THR N)-(110 THR CA)-(110 THR C)-(111 ALA N)  40.0 220.0
 &rst     iat =  1524,  1526,  1536,  1538,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 111 ALA PHI:  (110 THR C)-(111 ALA N)-(111 ALA CA)-(111 ALA C) -200.0 -80.0
 &rst     iat =  1536,  1538,  1540,  1546,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 111 ALA PSI:  (111 ALA N)-(111 ALA CA)-(111 ALA C)-(112 PRO N)  40.0 220.0
 &rst     iat =  1538,  1540,  1546,  1548,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 113 ARG PHI:  (112 PRO C)-(113 ARG N)-(113 ARG CA)-(113 ARG C) -185.0  75.0
 &rst     iat =  1560,  1562,  1564,  1584,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 113 ARG PSI:  (113 ARG N)-(113 ARG CA)-(113 ARG C)-(114 LEU N) -85.0 105.0
 &rst     iat =  1562,  1564,  1584,  1586,
   r1 = -86.0, r2 = -85.0, r3 = 105.0, r4 = 106.0,
 &end

# 114 LEU PHI:  (113 ARG C)-(114 LEU N)-(114 LEU CA)-(114 LEU C) -200.0 -80.0
 &rst     iat =  1584,  1586,  1588,  1603,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 114 LEU PSI:  (114 LEU N)-(114 LEU CA)-(114 LEU C)-(115 LYS N)  40.0 220.0
 &rst     iat =  1586,  1588,  1603,  1605,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 115 LYS PHI:  (114 LEU C)-(115 LYS N)-(115 LYS CA)-(115 LYS C) -200.0 -80.0
 &rst     iat =  1603,  1605,  1607,  1625,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 116 SER PHI:  (115 LYS C)-(116 SER N)-(116 SER CA)-(116 SER C) -200.0 -80.0
 &rst     iat =  1625,  1627,  1629,  1636,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 116 SER PSI:  (116 SER N)-(116 SER CA)-(116 SER C)-(117 LEU N)  40.0 220.0
 &rst     iat =  1627,  1629,  1636,  1638,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 119 GLU PHI:  (118 ASP C)-(119 GLU N)-(119 GLU CA)-(119 GLU C) -315.0 -45.0
 &rst     iat =  1667,  1669,  1671,  1682,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 119 GLU PSI:  (119 GLU N)-(119 GLU CA)-(119 GLU C)-(120 VAL N) -285.0  45.0
 &rst     iat =  1669,  1671,  1682,  1684,
   r1 = -286.0, r2 = -285.0, r3 =  45.0, r4 =  46.0,
 &end

# 120 VAL PHI:  (119 GLU C)-(120 VAL N)-(120 VAL CA)-(120 VAL C) -200.0 -80.0
 &rst     iat =  1682,  1684,  1686,  1698,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 120 VAL PSI:  (120 VAL N)-(120 VAL CA)-(120 VAL C)-(121 LYS N) -85.0  85.0
 &rst     iat =  1684,  1686,  1698,  1700,
   r1 = -86.0, r2 = -85.0, r3 =  85.0, r4 =  86.0,
 &end

# 123 LYS PHI:  (122 ASP C)-(123 LYS N)-(123 LYS CA)-(123 LYS C) -200.0 -80.0
 &rst     iat =  1732,  1734,  1736,  1754,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 123 LYS PSI:  (123 LYS N)-(123 LYS CA)-(123 LYS C)-(124 ALA N)  40.0 220.0
 &rst     iat =  1734,  1736,  1754,  1756,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 124 ALA PHI:  (123 LYS C)-(124 ALA N)-(124 ALA CA)-(124 ALA C) -200.0 -80.0
 &rst     iat =  1754,  1756,  1758,  1764,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 124 ALA PSI:  (124 ALA N)-(124 ALA CA)-(124 ALA C)-(125 LEU N)  -5.0 205.0
 &rst     iat =  1756,  1758,  1764,  1766,
   r1 =  -6.0, r2 =  -5.0, r3 = 205.0, r4 = 206.0,
 &end

# 125 LEU PHI:  (124 ALA C)-(125 LEU N)-(125 LEU CA)-(125 LEU C) -200.0 -80.0
 &rst     iat =  1764,  1766,  1768,  1783,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 125 LEU PSI:  (125 LEU N)-(125 LEU CA)-(125 LEU C)-(126 MET N)  80.0 180.0
 &rst     iat =  1766,  1768,  1783,  1785,
   r1 =  79.0, r2 =  80.0, r3 = 180.0, r4 = 181.0,
 &end

# 126 MET PHI:  (125 LEU C)-(126 MET N)-(126 MET CA)-(126 MET C) -200.0 -80.0
 &rst     iat =  1783,  1785,  1787,  1800,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 126 MET PSI:  (126 MET N)-(126 MET CA)-(126 MET C)-(127 ILE N)  40.0 220.0
 &rst     iat =  1785,  1787,  1800,  1802,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 127 ILE PHI:  (126 MET C)-(127 ILE N)-(127 ILE CA)-(127 ILE C) -200.0 -80.0
 &rst     iat =  1800,  1802,  1804,  1819,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 127 ILE PSI:  (127 ILE N)-(127 ILE CA)-(127 ILE C)-(128 HID N)  40.0 220.0
 &rst     iat =  1802,  1804,  1819,  1821,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 128 HIS PSI:  (147 ARG N)-(147 ARG CA)-(147 ARG C)-(148 TYR N)  80.0 180.0
 &rst     iat =  2062,  2064,  2084,  2086,
   r1 =  79.0, r2 =  80.0, r3 = 180.0, r4 = 181.0,
 &end

# 130 GLY PHI:  (129 VAL C)-(130 GLY N)-(130 GLY CA)-(130 GLY C) -315.0 -45.0
 &rst     iat =  1852,  1854,  1856,  1859,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 132 ASP PHI:  (131 GLY C)-(132 ASP N)-(132 ASP CA)-(132 ASP C) -185.0  75.0
 &rst     iat =  1866,  1868,  1870,  1878,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 132 ASP PSI:  (132 ASP N)-(132 ASP CA)-(132 ASP C)-(133 ASN N) -45.0 205.0
 &rst     iat =  1868,  1870,  1878,  1880,
   r1 = -46.0, r2 = -45.0, r3 = 205.0, r4 = 206.0,
 &end

# 133 ASN PHI:  (132 ASP C)-(133 ASN N)-(133 ASN CA)-(133 ASN C) -185.0  75.0
 &rst     iat =  1878,  1880,  1882,  1892,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 133 ASN PSI:  (133 ASN N)-(133 ASN CA)-(133 ASN C)-(134 MET N) -85.0 135.0
 &rst     iat =  1880,  1882,  1892,  1894,
   r1 = -86.0, r2 = -85.0, r3 = 135.0, r4 = 136.0,
 &end

# 134 MET PHI:  (133 ASN C)-(134 MET N)-(134 MET CA)-(134 MET C) -200.0 -80.0
 &rst     iat =  1892,  1894,  1896,  1909,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 134 MET PSI:  (134 MET N)-(134 MET CA)-(134 MET C)-(135 SER N)  40.0 220.0
 &rst     iat =  1894,  1896,  1909,  1911,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 135 SER PHI:  (134 MET C)-(135 SER N)-(135 SER CA)-(135 SER C) -200.0 -80.0
 &rst     iat =  1909,  1911,  1913,  1920,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 136 ASP PHI:  (135 SER C)-(136 ASP N)-(136 ASP CA)-(136 ASP C) -185.0  75.0
 &rst     iat =  1920,  1922,  1924,  1932,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 136 ASP PSI:  (136 ASP N)-(136 ASP CA)-(136 ASP C)-(137 GLN N) -85.0  95.0
 &rst     iat =  1922,  1924,  1932,  1934,
   r1 = -86.0, r2 = -85.0, r3 =  95.0, r4 =  96.0,
 &end

# 137 GLN PHI:  (136 ASP C)-(137 GLN N)-(137 GLN CA)-(137 GLN C) -185.0  75.0
 &rst     iat =  1932,  1934,  1936,  1949,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 137 GLN PSI:  (137 GLN N)-(137 GLN CA)-(137 GLN C)-(138 PRO N)  40.0 220.0
 &rst     iat =  1934,  1936,  1949,  1951,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end

# 138 PRO PSI:  (138 PRO N)-(138 PRO CA)-(138 PRO C)-(139 LYS N) -55.0  -5.0
 &rst     iat =  1951,  1961,  1963,  1965,
   r1 = -56.0, r2 = -55.0, r3 =  -5.0, r4 =  -4.0,
 &end

# 139 LYS PHI:  (138 PRO C)-(139 LYS N)-(139 LYS CA)-(139 LYS C) -200.0 -80.0
 &rst     iat =  1963,  1965,  1967,  1985,
   r1 = -201.0, r2 = -200.0, r3 = -80.0, r4 = -79.0,
 &end

# 139 LYS PSI:  (139 LYS N)-(139 LYS CA)-(139 LYS C)-(140 PRO N)  40.0 220.0
 &rst     iat =  1965,  1967,  1985,  1987,
   r1 =  39.0, r2 =  40.0, r3 = 220.0, r4 = 221.0,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1  13.265  -0.977 -16.004
    2    H2   ALA   1           H2       ALA   1  13.729   0.198 -17.065
    3    H3   ALA   1           H3       ALA   1  12.290   0.325 -16.309
    4    HA   ALA   1           HA       ALA   1  14.959   0.503 -15.085
    5    HB1  ALA   1           HB1      ALA   1  12.776   2.612 -15.292
    6    HB2  ALA   1           HB2      ALA   1  14.370   2.808 -14.539
    7    HB3  ALA   1           HB3      ALA   1  14.244   2.544 -16.288
    8    H    SER   2           H        SER   2  14.989   0.921 -12.688
    9    HA   SER   2           HA       SER   2  12.655  -0.279 -11.284
   10    HB2  SER   2           HB2      SER   2  15.351  -1.514 -10.900
   11    HB3  SER   2           HB3      SER   2  13.758  -2.221 -10.644
   12    HG   SER   2           HG       SER   2  13.609  -2.529 -12.933
   13    H    GLU   3           H        GLU   3  12.652  -0.228  -9.074
   14    HA   GLU   3           HA       GLU   3  14.833   1.046  -7.607
   15    HB2  GLU   3           HB2      GLU   3  13.642   3.031  -8.175
   16    HB3  GLU   3           HB3      GLU   3  12.080   2.249  -7.860
   17    HG2  GLU   3           HG2      GLU   3  12.524   3.846  -6.154
   18    HG3  GLU   3           HG3      GLU   3  12.506   2.210  -5.476
   19    H    LYS   4           H        LYS   4  15.021   0.242  -5.720
   20    HA   LYS   4           HA       LYS   4  13.309  -2.039  -4.866
   21    HB2  LYS   4           HB2      LYS   4  15.320  -2.695  -3.550
   22    HB3  LYS   4           HB3      LYS   4  15.633  -2.540  -5.268
   23    HG2  LYS   4           HG2      LYS   4  17.397  -1.233  -4.815
   24    HG3  LYS   4           HG3      LYS   4  16.300   0.020  -4.264
   25    HD2  LYS   4           HD2      LYS   4  16.380  -1.316  -1.973
   26    HD3  LYS   4           HD3      LYS   4  17.874  -1.977  -2.635
   27    HE2  LYS   4           HE2      LYS   4  17.191   0.986  -2.270
   28    HE3  LYS   4           HE3      LYS   4  18.196   0.026  -1.176
   29    HZ1  LYS   4           HZ1      LYS   4  18.862   0.766  -3.966
   30    HZ2  LYS   4           HZ2      LYS   4  19.641   1.235  -2.612
   31    HZ3  LYS   4           HZ3      LYS   4  19.726  -0.327  -3.099
   32    H    VAL   5           H        VAL   5  11.557  -1.257  -3.603
   33    HA   VAL   5           HA       VAL   5  12.152   1.113  -1.929
   34    HB   VAL   5           HB       VAL   5   9.491  -0.219  -2.447
   35   HG11  VAL   5          HG11      VAL   5  10.309   2.472  -1.237
   36   HG12  VAL   5          HG12      VAL   5   8.647   2.064  -1.679
   37   HG13  VAL   5          HG13      VAL   5   9.465   1.151  -0.401
   38   HG21  VAL   5          HG21      VAL   5  10.454   0.652  -4.567
   39   HG22  VAL   5          HG22      VAL   5   9.085   1.623  -4.042
   40   HG23  VAL   5          HG23      VAL   5  10.736   2.227  -3.787
   41    H    GLY   6           H        GLY   6  12.889   0.789   0.009
   42    HA2  GLY   6           HA2      GLY   6  12.641  -1.689   1.512
   43    HA3  GLY   6           HA3      GLY   6  13.408  -0.171   2.059
   44    H    MET   7           H        MET   7  10.739  -2.216   2.333
   45    HA   MET   7           HA       MET   7   9.005  -0.157   3.573
   46    HB2  MET   7           HB2      MET   7   8.413  -3.110   3.123
   47    HB3  MET   7           HB3      MET   7   7.276  -1.820   3.589
   48    HG2  MET   7           HG2      MET   7   7.990  -0.672   1.371
   49    HG3  MET   7           HG3      MET   7   8.709  -2.213   0.941
   50    HE1  MET   7           HE1      MET   7   5.671  -0.098   1.555
   51    HE2  MET   7           HE2      MET   7   4.272  -1.107   1.155
   52    HE3  MET   7           HE3      MET   7   5.121  -1.330   2.708
   53    H    ASN   8           H        ASN   8   8.715   0.074   5.719
   54    HA   ASN   8           HA       ASN   8   9.792  -2.023   7.576
   55    HB2  ASN   8           HB2      ASN   8   9.577   0.967   7.972
   56    HB3  ASN   8           HB3      ASN   8   9.598  -0.164   9.330
   57   HD21  ASN   8          HD21      ASN   8  11.614  -0.056  10.278
   58   HD22  ASN   8          HD22      ASN   8  13.093  -0.286   9.336
   59    H    LEU   9           H        LEU   9   8.556  -2.484   9.404
   60    HA   LEU   9           HA       LEU   9   5.685  -2.741   9.022
   61    HB2  LEU   9           HB2      LEU   9   7.465  -3.195  11.461
   62    HB3  LEU   9           HB3      LEU   9   5.814  -3.784  11.267
   63    HG   LEU   9           HG       LEU   9   8.219  -4.659   9.585
   64   HD11  LEU   9          HD11      LEU   9   6.698  -6.144  11.751
   65   HD12  LEU   9          HD12      LEU   9   8.059  -6.763  10.779
   66   HD13  LEU   9          HD13      LEU   9   8.318  -5.426  11.907
   67   HD21  LEU   9          HD21      LEU   9   6.340  -4.854   8.165
   68   HD22  LEU   9          HD22      LEU   9   6.548  -6.470   8.857
   69   HD23  LEU   9          HD23      LEU   9   5.286  -5.386   9.488
   70    H    VAL  10           H        VAL  10   4.051  -1.612  10.165
   71    HA   VAL  10           HA       VAL  10   4.878   0.665  11.898
   72    HB   VAL  10           HB       VAL  10   3.325   2.216  10.784
   73   HG11  VAL  10          HG11      VAL  10   5.517   1.252   8.902
   74   HG12  VAL  10          HG12      VAL  10   4.782   2.869   8.961
   75   HG13  VAL  10          HG13      VAL  10   5.755   2.292  10.322
   76   HG21  VAL  10          HG21      VAL  10   1.834   0.703   9.560
   77   HG22  VAL  10          HG22      VAL  10   2.598   1.834   8.442
   78   HG23  VAL  10          HG23      VAL  10   3.179   0.162   8.529
   79    H    THR  11           H        THR  11   3.456   1.208  13.540
   80    HA   THR  11           HA       THR  11   0.812  -0.050  13.714
   81    HB   THR  11           HB       THR  11   2.052  -2.056  13.879
   82    HG1  THR  11           HG1      THR  11   1.273  -1.107  16.407
   83   HG21  THR  11          HG21      THR  11   3.709  -0.831  16.129
   84   HG22  THR  11          HG22      THR  11   3.709  -2.527  15.619
   85   HG23  THR  11          HG23      THR  11   4.294  -1.283  14.513
   86    H    ALA  12           H        ALA  12   1.037   2.518  14.037
   87    HA   ALA  12           HA       ALA  12   0.111   4.119  15.365
   88    HB1  ALA  12           HB1      ALA  12  -0.050   2.102  17.630
   89    HB2  ALA  12           HB2      ALA  12  -0.978   3.586  17.410
   90    HB3  ALA  12           HB3      ALA  12  -1.235   2.229  16.310
   91    H    GLN  13           H        GLN  13   2.950   2.519  16.493
   92    HA   GLN  13           HA       GLN  13   3.869   4.890  17.991
   93    HB2  GLN  13           HB2      GLN  13   6.007   3.594  18.149
   94    HB3  GLN  13           HB3      GLN  13   4.590   3.305  19.131
   95    HG2  GLN  13           HG2      GLN  13   4.665   1.486  16.813
   96    HG3  GLN  13           HG3      GLN  13   6.094   1.464  17.876
   97   HE21  GLN  13          HE21      GLN  13   2.481   1.376  18.038
   98   HE22  GLN  13          HE22      GLN  13   2.508   1.188  19.775
   99    H    GLY  14           H        GLY  14   3.938   3.663  14.762
  100    HA2  GLY  14           HA2      GLY  14   4.634   5.028  12.883
  101    HA3  GLY  14           HA3      GLY  14   5.967   5.675  13.891
  102    H    VAL  15           H        VAL  15   7.562   5.025  12.533
  103    HA   VAL  15           HA       VAL  15   7.812   2.609  11.126
  104    HB   VAL  15           HB       VAL  15  10.015   4.499  12.052
  105   HG11  VAL  15          HG11      VAL  15   9.963   2.465   9.774
  106   HG12  VAL  15          HG12      VAL  15  11.250   3.659  10.045
  107   HG13  VAL  15          HG13      VAL  15  10.979   2.380  11.229
  108   HG21  VAL  15          HG21      VAL  15   8.324   5.729  10.792
  109   HG22  VAL  15          HG22      VAL  15   9.767   5.524   9.799
  110   HG23  VAL  15          HG23      VAL  15   8.345   4.501   9.504
  111    H    GLY  16           H        GLY  16   8.167   0.642  11.778
  112    HA2  GLY  16           HA2      GLY  16   9.519  -0.020  14.350
  113    HA3  GLY  16           HA3      GLY  16   8.562  -1.093  13.281
  114    H    GLN  17           H        GLN  17   9.860  -2.673  12.807
  115    HA   GLN  17           HA       GLN  17  12.634  -2.159  11.815
  116    HB2  GLN  17           HB2      GLN  17  13.067  -4.488  12.037
  117    HB3  GLN  17           HB3      GLN  17  12.428  -3.935  13.576
  118    HG2  GLN  17           HG2      GLN  17  10.347  -5.047  13.267
  119    HG3  GLN  17           HG3      GLN  17  10.584  -5.216  11.512
  120   HE21  GLN  17          HE21      GLN  17  12.732  -6.522  10.912
  121   HE22  GLN  17          HE22      GLN  17  12.790  -8.038  11.786
  122    H    SER  18           H        SER  18  13.191  -3.524   9.858
  123    HA   SER  18           HA       SER  18  10.861  -4.013   8.082
  124    HB2  SER  18           HB2      SER  18  12.376  -2.372   7.102
  125    HB3  SER  18           HB3      SER  18  13.756  -3.461   7.331
  126    HG   SER  18           HG       SER  18  11.628  -3.484   5.485
  127    H    ILE  19           H        ILE  19  10.937  -5.752   6.765
  128    HA   ILE  19           HA       ILE  19  12.364  -8.218   7.590
  129    HB   ILE  19           HB       ILE  19  10.180  -9.415   7.430
  130   HG12  ILE  19          HG12      ILE  19   8.408  -8.329   8.331
  131   HG13  ILE  19          HG13      ILE  19   9.154  -6.732   8.472
  132   HG21  ILE  19          HG21      ILE  19  10.812  -7.753   9.882
  133   HG22  ILE  19          HG22      ILE  19   9.957  -9.298   9.833
  134   HG23  ILE  19          HG23      ILE  19  11.674  -9.243   9.422
  135   HD11  ILE  19          HD11      ILE  19   8.576  -8.137   5.832
  136   HD12  ILE  19          HD12      ILE  19   7.463  -6.981   6.588
  137   HD13  ILE  19          HD13      ILE  19   9.067  -6.440   6.071
  138    H    GLY  20           H        GLY  20  11.584  -6.179   5.145
  139    HA2  GLY  20           HA2      GLY  20  12.337  -7.785   2.936
  140    HA3  GLY  20           HA3      GLY  20  10.581  -7.767   3.025
  141    H    THR  21           H        THR  21  12.501  -6.509   1.059
  142    HA   THR  21           HA       THR  21  11.331  -3.745   1.023
  143    HB   THR  21           HB       THR  21  12.718  -3.195  -0.738
  144    HG1  THR  21           HG1      THR  21  13.399  -5.928  -1.020
  145   HG21  THR  21          HG21      THR  21  14.550  -5.056   0.812
  146   HG22  THR  21          HG22      THR  21  14.976  -3.596  -0.096
  147   HG23  THR  21          HG23      THR  21  14.026  -3.464   1.396
  148    H    VAL  22           H        VAL  22  10.485  -3.316  -1.315
  149    HA   VAL  22           HA       VAL  22   9.670  -5.813  -2.674
  150    HB   VAL  22           HB       VAL  22   7.869  -3.337  -2.711
  151   HG11  VAL  22          HG11      VAL  22   7.928  -6.002  -4.151
  152   HG12  VAL  22          HG12      VAL  22   6.436  -5.159  -3.975
  153   HG13  VAL  22          HG13      VAL  22   7.774  -4.387  -4.854
  154   HG21  VAL  22          HG21      VAL  22   7.558  -4.579  -0.587
  155   HG22  VAL  22          HG22      VAL  22   6.161  -4.784  -1.645
  156   HG23  VAL  22          HG23      VAL  22   7.353  -6.088  -1.497
  157    H    VAL  23           H        VAL  23  10.406  -5.838  -4.739
  158    HA   VAL  23           HA       VAL  23  11.818  -3.394  -5.651
  159    HB   VAL  23           HB       VAL  23  12.923  -5.534  -5.868
  160   HG11  VAL  23          HG11      VAL  23  10.923  -6.323  -7.927
  161   HG12  VAL  23          HG12      VAL  23  12.546  -7.025  -7.761
  162   HG13  VAL  23          HG13      VAL  23  11.440  -7.146  -6.409
  163   HG21  VAL  23          HG21      VAL  23  13.516  -3.527  -7.247
  164   HG22  VAL  23          HG22      VAL  23  13.897  -5.046  -8.073
  165   HG23  VAL  23          HG23      VAL  23  12.448  -4.129  -8.535
  166    H    ILE  24           H        ILE  24  11.024  -1.966  -7.000
  167    HA   ILE  24           HA       ILE  24   8.543  -2.614  -8.538
  168    HB   ILE  24           HB       ILE  24   9.647   0.120  -7.788
  169   HG12  ILE  24          HG12      ILE  24   7.376  -1.516  -6.605
  170   HG13  ILE  24          HG13      ILE  24   8.658  -0.879  -5.718
  171   HG21  ILE  24          HG21      ILE  24   7.078  -0.767  -9.212
  172   HG22  ILE  24          HG22      ILE  24   7.512   0.918  -8.838
  173   HG23  ILE  24          HG23      ILE  24   8.462   0.025  -9.991
  174   HD11  ILE  24          HD11      ILE  24   6.404   0.711  -6.894
  175   HD12  ILE  24          HD12      ILE  24   6.943   0.519  -5.229
  176   HD13  ILE  24          HD13      ILE  24   7.938   1.465  -6.339
  177    H    ASP  25           H        ASP  25   8.776  -2.812 -10.636
  178    HA   ASP  25           HA       ASP  25  11.116  -1.617 -12.047
  179    HB2  ASP  25           HB2      ASP  25  11.723  -3.803 -11.471
  180    HB3  ASP  25           HB3      ASP  25  10.158  -4.491 -11.965
  181    H    GLU  26           H        GLU  26  10.385  -0.364 -13.599
  182    HA   GLU  26           HA       GLU  26   7.507  -0.477 -14.276
  183    HB2  GLU  26           HB2      GLU  26   7.712   1.640 -15.345
  184    HB3  GLU  26           HB3      GLU  26   8.420   1.681 -13.726
  185    HG2  GLU  26           HG2      GLU  26   9.842   2.991 -15.076
  186    HG3  GLU  26           HG3      GLU  26  10.697   1.507 -14.759
  187    H    THR  27           H        THR  27   6.571  -0.880 -16.265
  188    HA   THR  27           HA       THR  27   8.312  -1.340 -18.594
  189    HB   THR  27           HB       THR  27   8.402  -3.495 -17.436
  190    HG1  THR  27           HG1      THR  27   8.410  -3.457 -19.653
  191   HG21  THR  27          HG21      THR  27   5.369  -3.466 -17.576
  192   HG22  THR  27          HG22      THR  27   6.333  -4.952 -17.403
  193   HG23  THR  27          HG23      THR  27   6.419  -3.706 -16.162
  194    H    GLU  28           H        GLU  28   6.713  -2.110 -20.417
  195    HA   GLU  28           HA       GLU  28   5.019   0.206 -20.765
  196    HB2  GLU  28           HB2      GLU  28   6.441  -0.897 -22.469
  197    HB3  GLU  28           HB3      GLU  28   5.318  -2.274 -22.493
  198    HG2  GLU  28           HG2      GLU  28   3.521  -0.794 -23.299
  199    HG3  GLU  28           HG3      GLU  28   4.538   0.629 -23.051
  200    H    GLY  29           H        GLY  29   4.454  -2.871 -19.412
  201    HA2  GLY  29           HA2      GLY  29   1.512  -2.414 -19.309
  202    HA3  GLY  29           HA3      GLY  29   2.325  -3.930 -18.801
  203    H    GLY  30           H        GLY  30   3.811  -1.047 -17.861
  204    HA2  GLY  30           HA2      GLY  30   3.626   0.429 -16.088
  205    HA3  GLY  30           HA3      GLY  30   2.336  -0.554 -15.394
  206    H    LEU  31           H        LEU  31   3.120  -0.165 -13.359
  207    HA   LEU  31           HA       LEU  31   5.848  -0.833 -12.612
  208    HB2  LEU  31           HB2      LEU  31   3.368  -0.358 -10.900
  209    HB3  LEU  31           HB3      LEU  31   5.038  -0.429 -10.309
  210    HG   LEU  31           HG       LEU  31   3.820   1.692 -12.123
  211   HD11  LEU  31          HD11      LEU  31   4.929   1.831  -9.282
  212   HD12  LEU  31          HD12      LEU  31   4.248   3.183 -10.211
  213   HD13  LEU  31          HD13      LEU  31   3.208   1.833  -9.728
  214   HD21  LEU  31          HD21      LEU  31   6.127   1.403 -12.843
  215   HD22  LEU  31          HD22      LEU  31   5.999   2.886 -11.891
  216   HD23  LEU  31          HD23      LEU  31   6.695   1.428 -11.156
  217    H    LYS  32           H        LYS  32   6.500  -2.906 -12.929
  218    HA   LYS  32           HA       LYS  32   5.042  -5.235 -12.009
  219    HB2  LYS  32           HB2      LYS  32   6.842  -5.033 -13.858
  220    HB3  LYS  32           HB3      LYS  32   8.010  -4.994 -12.539
  221    HG2  LYS  32           HG2      LYS  32   7.006  -7.236 -11.761
  222    HG3  LYS  32           HG3      LYS  32   6.093  -7.219 -13.282
  223    HD2  LYS  32           HD2      LYS  32   7.999  -8.494 -13.810
  224    HD3  LYS  32           HD3      LYS  32   8.362  -6.889 -14.471
  225    HE2  LYS  32           HE2      LYS  32   9.570  -6.418 -12.231
  226    HE3  LYS  32           HE3      LYS  32   9.365  -8.141 -11.877
  227    HZ1  LYS  32           HZ1      LYS  32  11.014  -6.812 -13.917
  228    HZ2  LYS  32           HZ2      LYS  32  11.447  -8.056 -12.917
  229    HZ3  LYS  32           HZ3      LYS  32  10.524  -8.347 -14.232
  230    H    PHE  33           H        PHE  33   4.793  -5.716  -9.925
  231    HA   PHE  33           HA       PHE  33   6.605  -4.693  -7.797
  232    HB2  PHE  33           HB2      PHE  33   3.848  -4.719  -8.004
  233    HB3  PHE  33           HB3      PHE  33   4.119  -6.266  -7.198
  234    HD1  PHE  33           HD1      PHE  33   5.799  -2.921  -6.871
  235    HD2  PHE  33           HD2      PHE  33   3.363  -5.918  -4.979
  236    HE1  PHE  33           HE1      PHE  33   6.000  -1.709  -4.699
  237    HE2  PHE  33           HE2      PHE  33   3.486  -4.631  -2.839
  238    HZ   PHE  33           HZ       PHE  33   4.839  -2.597  -2.682
  239    H    THR  34           H        THR  34   8.220  -6.204  -7.042
  240    HA   THR  34           HA       THR  34   7.264  -9.057  -6.958
  241    HB   THR  34           HB       THR  34  10.129  -8.336  -7.514
  242    HG1  THR  34           HG1      THR  34   7.883  -8.758  -9.091
  243   HG21  THR  34          HG21      THR  34   8.550 -10.946  -7.576
  244   HG22  THR  34          HG22      THR  34  10.230 -10.741  -8.121
  245   HG23  THR  34          HG23      THR  34   9.819 -10.506  -6.413
  246    HA   PRO  35           HA       PRO  35   8.170  -7.732  -2.745
  247    HB2  PRO  35           HB2      PRO  35   6.550  -9.508  -1.434
  248    HB3  PRO  35           HB3      PRO  35   5.913  -8.055  -2.278
  249    HG2  PRO  35           HG2      PRO  35   5.991 -10.917  -3.197
  250    HG3  PRO  35           HG3      PRO  35   4.664  -9.728  -3.383
  251    HD2  PRO  35           HD2      PRO  35   6.516 -10.355  -5.359
  252    HD3  PRO  35           HD3      PRO  35   5.657  -8.781  -5.256
  253    H    HIS  36           H        HIS  36   9.112  -8.775  -0.870
  254    HA   HIS  36           HA       HIS  36   9.954 -11.532  -1.040
  255    HB2  HIS  36           HB2      HIS  36  12.216 -11.385  -1.427
  256    HB3  HIS  36           HB3      HIS  36  11.600 -10.170  -2.533
  257    HD1  HIS  36           HD1      HIS  36  14.347 -10.543  -0.255
  258    HD2  HIS  36           HD2      HIS  36  11.671  -7.518  -1.330
  259    HE1  HIS  36           HE1      HIS  36  15.447  -8.362   0.520
  260    H    LEU  37           H        LEU  37   8.234 -10.463   0.655
  261    HA   LEU  37           HA       LEU  37   9.633  -9.730   3.216
  262    HB2  LEU  37           HB2      LEU  37   6.688  -9.456   2.592
  263    HB3  LEU  37           HB3      LEU  37   7.626  -8.808   3.950
  264    HG   LEU  37           HG       LEU  37   8.756  -7.638   1.605
  265   HD11  LEU  37          HD11      LEU  37   5.702  -7.527   1.677
  266   HD12  LEU  37          HD12      LEU  37   6.738  -6.470   0.708
  267   HD13  LEU  37          HD13      LEU  37   6.712  -8.214   0.386
  268   HD21  LEU  37          HD21      LEU  37   7.894  -5.544   2.632
  269   HD22  LEU  37          HD22      LEU  37   6.894  -6.512   3.749
  270   HD23  LEU  37          HD23      LEU  37   8.661  -6.603   3.825
  271    H    LYS  38           H        LYS  38   9.572 -10.794   4.884
  272    HA   LYS  38           HA       LYS  38   7.963 -13.258   5.218
  273    HB2  LYS  38           HB2      LYS  38  10.477 -12.316   6.696
  274    HB3  LYS  38           HB3      LYS  38   9.619 -13.831   6.917
  275    HG2  LYS  38           HG2      LYS  38  11.163 -14.714   5.681
  276    HG3  LYS  38           HG3      LYS  38  10.283 -14.089   4.282
  277    HD2  LYS  38           HD2      LYS  38  12.604 -12.662   5.677
  278    HD3  LYS  38           HD3      LYS  38  12.793 -13.753   4.293
  279    HE2  LYS  38           HE2      LYS  38  11.284 -12.328   2.936
  280    HE3  LYS  38           HE3      LYS  38  11.101 -11.229   4.289
  281    HZ1  LYS  38           HZ1      LYS  38  13.706 -11.780   3.029
  282    HZ2  LYS  38           HZ2      LYS  38  12.714 -10.533   2.648
  283    HZ3  LYS  38           HZ3      LYS  38  13.358 -10.613   4.166
  284    H    ALA  39           H        ALA  39   7.156 -13.508   7.298
  285    HA   ALA  39           HA       ALA  39   6.573 -13.167   9.483
  286    HB1  ALA  39           HB1      ALA  39   7.852 -10.401   9.373
  287    HB2  ALA  39           HB2      ALA  39   7.528 -11.386  10.802
  288    HB3  ALA  39           HB3      ALA  39   8.784 -11.895   9.655
  289    H    LEU  40           H        LEU  40   4.976 -12.193   7.128
  290    HA   LEU  40           HA       LEU  40   3.214 -10.238   8.526
  291    HB2  LEU  40           HB2      LEU  40   1.935 -10.836   6.065
  292    HB3  LEU  40           HB3      LEU  40   2.632  -9.400   6.669
  293    HG   LEU  40           HG       LEU  40   4.139 -11.621   5.158
  294   HD11  LEU  40          HD11      LEU  40   3.220  -9.021   3.857
  295   HD12  LEU  40          HD12      LEU  40   4.159 -10.347   3.121
  296   HD13  LEU  40          HD13      LEU  40   2.468 -10.594   3.625
  297   HD21  LEU  40          HD21      LEU  40   5.852 -10.262   4.658
  298   HD22  LEU  40          HD22      LEU  40   5.007  -8.738   5.091
  299   HD23  LEU  40          HD23      LEU  40   5.577  -9.826   6.366
  300    HA   PRO  41           HA       PRO  41   0.384 -13.250   9.261
  301    HB2  PRO  41           HB2      PRO  41  -2.149 -12.035   8.829
  302    HB3  PRO  41           HB3      PRO  41  -1.175 -11.916  10.320
  303    HG2  PRO  41           HG2      PRO  41  -1.229 -10.065   7.972
  304    HG3  PRO  41           HG3      PRO  41  -1.293  -9.643   9.714
  305    HD2  PRO  41           HD2      PRO  41   1.055  -9.487   8.414
  306    HD3  PRO  41           HD3      PRO  41   0.921 -10.264  10.035
  307    HA   PRO  42           HA       PRO  42   0.844 -14.862   5.478
  308    HB2  PRO  42           HB2      PRO  42   0.406 -17.487   5.863
  309    HB3  PRO  42           HB3      PRO  42   1.359 -16.549   7.041
  310    HG2  PRO  42           HG2      PRO  42  -1.619 -17.090   7.185
  311    HG3  PRO  42           HG3      PRO  42  -0.379 -17.589   8.377
  312    HD2  PRO  42           HD2      PRO  42  -1.660 -15.221   8.695
  313    HD3  PRO  42           HD3      PRO  42   0.105 -15.349   8.991
  314    H    GLY  43           H        GLY  43  -1.741 -13.636   5.422
  315    HA2  GLY  43           HA2      GLY  43  -3.513 -15.305   3.715
  316    HA3  GLY  43           HA3      GLY  43  -3.924 -13.795   4.538
  317    H    GLU  44           H        GLU  44  -4.326 -12.380   3.254
  318    HA   GLU  44           HA       GLU  44  -2.793 -11.720   0.785
  319    HB2  GLU  44           HB2      GLU  44  -5.830 -11.883   0.987
  320    HB3  GLU  44           HB3      GLU  44  -4.897 -11.388  -0.427
  321    HG2  GLU  44           HG2      GLU  44  -3.964 -13.629  -0.682
  322    HG3  GLU  44           HG3      GLU  44  -4.767 -14.170   0.808
  323    H    HIS  45           H        HIS  45  -2.524  -9.529   0.517
  324    HA   HIS  45           HA       HIS  45  -3.877  -7.661   2.440
  325    HB2  HIS  45           HB2      HIS  45  -0.904  -8.193   1.926
  326    HB3  HIS  45           HB3      HIS  45  -1.465  -6.656   2.562
  327    HD1  HIS  45           HD1      HIS  45  -3.322  -7.325   4.874
  328    HD2  HIS  45           HD2      HIS  45  -0.608 -10.143   3.428
  329    HE1  HIS  45           HE1      HIS  45  -3.242  -9.193   6.641
  330    HE2  HIS  45           HE2      HIS  45  -1.491 -10.912   5.771
  331    H    GLY  46           H        GLY  46  -4.783  -5.975   1.433
  332    HA2  GLY  46           HA2      GLY  46  -4.587  -5.235  -1.188
  333    HA3  GLY  46           HA3      GLY  46  -4.978  -4.081   0.104
  334    H    PHE  47           H        PHE  47  -3.357  -3.571  -2.416
  335    HA   PHE  47           HA       PHE  47  -0.837  -2.586  -1.125
  336    HB2  PHE  47           HB2      PHE  47  -0.125  -4.397  -2.368
  337    HB3  PHE  47           HB3      PHE  47  -1.342  -4.154  -3.616
  338    HD1  PHE  47           HD1      PHE  47   1.330  -1.744  -2.392
  339    HD2  PHE  47           HD2      PHE  47  -0.070  -4.334  -5.518
  340    HE1  PHE  47           HE1      PHE  47   3.095  -0.840  -3.982
  341    HE2  PHE  47           HE2      PHE  47   1.622  -3.384  -7.091
  342    HZ   PHE  47           HZ       PHE  47   3.135  -1.580  -6.316
  343    H    HIS  48           H        HIS  48  -1.114  -0.486  -0.868
  344    HA   HIS  48           HA       HIS  48  -2.269   1.087  -3.165
  345    HB2  HIS  48           HB2      HIS  48  -2.030   1.802  -0.219
  346    HB3  HIS  48           HB3      HIS  48  -2.580   2.905  -1.473
  347    HD2  HIS  48           HD2      HIS  48  -4.416   0.148  -2.695
  348    HE1  HIS  48           HE1      HIS  48  -6.732   1.120   0.710
  349    HE2  HIS  48           HE2      HIS  48  -6.620  -0.224  -1.454
  350    H    ILE  49           H        ILE  49  -1.526   3.151  -3.555
  351    HA   ILE  49           HA       ILE  49   1.193   3.980  -2.639
  352    HB   ILE  49           HB       ILE  49  -0.242   4.581  -5.246
  353   HG12  ILE  49          HG12      ILE  49   2.650   3.698  -4.871
  354   HG13  ILE  49          HG13      ILE  49   1.337   2.504  -4.908
  355   HG21  ILE  49          HG21      ILE  49   2.190   6.009  -4.075
  356   HG22  ILE  49          HG22      ILE  49   1.612   6.199  -5.742
  357   HG23  ILE  49          HG23      ILE  49   0.602   6.731  -4.406
  358   HD11  ILE  49          HD11      ILE  49   1.932   4.469  -7.147
  359   HD12  ILE  49          HD12      ILE  49   2.312   2.734  -7.123
  360   HD13  ILE  49          HD13      ILE  49   0.621   3.285  -7.111
  361    H    HIS  50           H        HIS  50   1.253   6.023  -1.743
  362    HA   HIS  50           HA       HIS  50  -1.402   7.162  -0.994
  363    HB2  HIS  50           HB2      HIS  50   0.903   6.207   0.648
  364    HB3  HIS  50           HB3      HIS  50   0.118   7.681   1.157
  365    HD1  HIS  50           HD1      HIS  50  -1.806   7.318   2.775
  366    HD2  HIS  50           HD2      HIS  50  -1.322   4.191   0.040
  367    HE1  HIS  50           HE1      HIS  50  -3.586   5.610   3.391
  368    H    ALA  51           H        ALA  51  -1.306   9.429  -0.173
  369    HA   ALA  51           HA       ALA  51  -0.527  10.841  -2.511
  370    HB1  ALA  51           HB1      ALA  51  -1.694  11.926   0.087
  371    HB2  ALA  51           HB2      ALA  51  -1.740  12.724  -1.492
  372    HB3  ALA  51           HB3      ALA  51  -2.646  11.218  -1.236
  373    H    ASN  52           H        ASN  52   0.740  11.137   0.777
  374    HA   ASN  52           HA       ASN  52   3.125  12.593  -0.333
  375    HB2  ASN  52           HB2      ASN  52   2.497  12.136   2.592
  376    HB3  ASN  52           HB3      ASN  52   3.664  13.257   1.904
  377   HD21  ASN  52          HD21      ASN  52   0.815  13.223   3.479
  378   HD22  ASN  52          HD22      ASN  52   0.007  14.580   2.697
  379    H    GLY  53           H        GLY  53   5.219  11.878   0.901
  380    HA2  GLY  53           HA2      GLY  53   5.383   8.887   1.179
  381    HA3  GLY  53           HA3      GLY  53   6.713   9.951   0.690
  382    H    SER  54           H        SER  54   4.751   8.864   3.447
  383    HA   SER  54           HA       SER  54   6.946   9.302   5.272
  384    HB2  SER  54           HB2      SER  54   6.265  11.631   5.128
  385    HB3  SER  54           HB3      SER  54   4.592  11.195   5.490
  386    HG   SER  54           HG       SER  54   6.820  10.818   7.270
  387    H    CYS  55           H        CYS  55   6.655   7.142   5.831
  388    HA   CYS  55           HA       CYS  55   4.337   5.963   6.842
  389    HB2  CYS  55           HB2      CYS  55   7.264   5.296   7.334
  390    HB3  CYS  55           HB3      CYS  55   5.902   4.196   7.442
  391    H    GLN  56           H        GLN  56   4.244   8.298   8.220
  392    HA   GLN  56           HA       GLN  56   5.160   7.692  11.006
  393    HB2  GLN  56           HB2      GLN  56   5.116  10.293   9.454
  394    HB3  GLN  56           HB3      GLN  56   5.111  10.261  11.204
  395    HG2  GLN  56           HG2      GLN  56   7.354  10.546  10.638
  396    HG3  GLN  56           HG3      GLN  56   7.223   8.881  11.167
  397   HE21  GLN  56          HE21      GLN  56   7.609   7.144   9.484
  398   HE22  GLN  56          HE22      GLN  56   8.474   7.643   8.045
  399    HA   PRO  57           HA       PRO  57   0.915   7.919  12.204
  400    HB2  PRO  57           HB2      PRO  57   1.104   7.871  14.885
  401    HB3  PRO  57           HB3      PRO  57   1.808   6.545  13.906
  402    HG2  PRO  57           HG2      PRO  57   3.237   8.981  15.039
  403    HG3  PRO  57           HG3      PRO  57   3.701   7.258  15.198
  404    HD2  PRO  57           HD2      PRO  57   4.738   8.903  13.253
  405    HD3  PRO  57           HD3      PRO  57   4.452   7.156  12.986
  406    H    ALA  58           H        ALA  58  -0.694   9.128  13.391
  407    HA   ALA  58           HA       ALA  58   0.031  11.925  14.128
  408    HB1  ALA  58           HB1      ALA  58  -2.581  10.940  12.885
  409    HB2  ALA  58           HB2      ALA  58  -2.247  12.593  13.440
  410    HB3  ALA  58           HB3      ALA  58  -1.343  11.920  12.070
  411    H    ILE  59           H        ILE  59  -1.026  12.716  16.015
  412    HA   ILE  59           HA       ILE  59  -2.327  10.692  17.807
  413    HB   ILE  59           HB       ILE  59  -0.457  12.921  18.701
  414   HG12  ILE  59          HG12      ILE  59   0.980  11.365  17.506
  415   HG13  ILE  59          HG13      ILE  59   1.284  11.342  19.228
  416   HG21  ILE  59          HG21      ILE  59  -1.707  10.565  20.178
  417   HG22  ILE  59          HG22      ILE  59  -0.484  11.657  20.864
  418   HG23  ILE  59          HG23      ILE  59  -2.063  12.289  20.397
  419   HD11  ILE  59          HD11      ILE  59  -0.292   9.220  17.717
  420   HD12  ILE  59          HD12      ILE  59   1.387   9.090  18.260
  421   HD13  ILE  59          HD13      ILE  59   0.085   9.198  19.457
  422    H    LYS  60           H        LYS  60  -4.230  11.411  18.665
  423    HA   LYS  60           HA       LYS  60  -4.830  14.219  19.131
  424    HB2  LYS  60           HB2      LYS  60  -5.186  13.930  16.630
  425    HB3  LYS  60           HB3      LYS  60  -6.444  12.749  16.991
  426    HG2  LYS  60           HG2      LYS  60  -7.792  14.497  18.100
  427    HG3  LYS  60           HG3      LYS  60  -6.459  15.659  17.915
  428    HD2  LYS  60           HD2      LYS  60  -6.598  15.401  15.442
  429    HD3  LYS  60           HD3      LYS  60  -7.996  14.337  15.623
  430    HE2  LYS  60           HE2      LYS  60  -7.871  17.212  16.644
  431    HE3  LYS  60           HE3      LYS  60  -8.438  16.790  15.032
  432    HZ1  LYS  60           HZ1      LYS  60  -9.691  15.870  17.547
  433    HZ2  LYS  60           HZ2      LYS  60 -10.281  17.029  16.548
  434    HZ3  LYS  60           HZ3      LYS  60 -10.204  15.484  16.022
  435    H    ASP  61           H        ASP  61  -6.582  14.398  20.634
  436    HA   ASP  61           HA       ASP  61  -7.885  13.682  22.357
  437    HB2  ASP  61           HB2      ASP  61  -9.378  13.433  20.375
  438    HB3  ASP  61           HB3      ASP  61  -8.973  11.715  20.305
  439    H    GLY  62           H        GLY  62  -5.388  12.620  22.627
  440    HA2  GLY  62           HA2      GLY  62  -4.270  11.182  24.046
  441    HA3  GLY  62           HA3      GLY  62  -5.859  10.569  24.555
  442    H    GLN  63           H        GLN  63  -5.286  10.156  21.155
  443    HA   GLN  63           HA       GLN  63  -4.266   7.395  21.529
  444    HB2  GLN  63           HB2      GLN  63  -6.186   6.441  20.345
  445    HB3  GLN  63           HB3      GLN  63  -6.653   7.228  21.849
  446    HG2  GLN  63           HG2      GLN  63  -7.230   9.293  20.350
  447    HG3  GLN  63           HG3      GLN  63  -7.171   8.158  19.006
  448   HE21  GLN  63          HE21      GLN  63  -8.912   9.248  21.886
  449   HE22  GLN  63          HE22      GLN  63 -10.333   8.253  21.605
  450    H    ALA  64           H        ALA  64  -3.660   6.307  19.569
  451    HA   ALA  64           HA       ALA  64  -2.462   8.281  17.702
  452    HB1  ALA  64           HB1      ALA  64  -1.615   5.476  18.523
  453    HB2  ALA  64           HB2      ALA  64  -0.703   6.580  17.467
  454    HB3  ALA  64           HB3      ALA  64  -0.967   6.990  19.176
  455    H    VAL  65           H        VAL  65  -2.603   8.169  15.585
  456    HA   VAL  65           HA       VAL  65  -4.278   6.167  14.203
  457    HB   VAL  65           HB       VAL  65  -2.657   8.452  13.026
  458   HG11  VAL  65          HG11      VAL  65  -4.840   6.651  11.871
  459   HG12  VAL  65          HG12      VAL  65  -4.223   8.113  11.081
  460   HG13  VAL  65          HG13      VAL  65  -3.143   6.739  11.349
  461   HG21  VAL  65          HG21      VAL  65  -4.407   9.363  14.511
  462   HG22  VAL  65          HG22      VAL  65  -4.858   9.617  12.825
  463   HG23  VAL  65          HG23      VAL  65  -5.624   8.311  13.755
  464    H    ALA  66           H        ALA  66  -3.475   4.420  13.168
  465    HA   ALA  66           HA       ALA  66  -1.191   3.149  13.749
  466    HB1  ALA  66           HB1      ALA  66  -2.631   3.012  11.068
  467    HB2  ALA  66           HB2      ALA  66  -1.571   1.759  11.747
  468    HB3  ALA  66           HB3      ALA  66  -3.093   2.165  12.564
  469    H    ALA  67           H        ALA  67  -1.401   5.134  10.841
  470    HA   ALA  67           HA       ALA  67   1.047   6.424  10.783
  471    HB1  ALA  67           HB1      ALA  67   1.129   3.840   9.173
  472    HB2  ALA  67           HB2      ALA  67   2.232   5.209   8.935
  473    HB3  ALA  67           HB3      ALA  67   2.245   4.335  10.469
  474    H    GLU  68           H        GLU  68   0.558   8.140   9.442
  475    HA   GLU  68           HA       GLU  68  -1.382   7.883   7.212
  476    HB2  GLU  68           HB2      GLU  68  -2.797   7.800   9.175
  477    HB3  GLU  68           HB3      GLU  68  -2.031   9.229   9.845
  478    HG2  GLU  68           HG2      GLU  68  -4.223   9.781   9.093
  479    HG3  GLU  68           HG3      GLU  68  -3.077  10.644   8.103
  480    H    ALA  69           H        ALA  69   1.281   9.647   8.621
  481    HA   ALA  69           HA       ALA  69   0.797  12.204   7.454
  482    HB1  ALA  69           HB1      ALA  69   3.391  10.685   7.943
  483    HB2  ALA  69           HB2      ALA  69   3.264  12.426   7.633
  484    HB3  ALA  69           HB3      ALA  69   2.560  11.737   9.111
  485    H    ALA  70           H        ALA  70   1.795   9.201   5.946
  486    HA   ALA  70           HA       ALA  70   2.421  10.074   3.346
  487    HB1  ALA  70           HB1      ALA  70   0.956   7.553   4.215
  488    HB2  ALA  70           HB2      ALA  70   1.879   7.783   2.716
  489    HB3  ALA  70           HB3      ALA  70   2.721   7.765   4.270
  490    H    GLY  71           H        GLY  71  -0.673  10.568   4.862
  491    HA2  GLY  71           HA2      GLY  71  -2.444  11.724   3.824
  492    HA3  GLY  71           HA3      GLY  71  -1.789  11.361   2.239
  493    H    GLY  72           H        GLY  72  -4.142  10.940   1.853
  494    HA2  GLY  72           HA2      GLY  72  -5.102   8.218   2.463
  495    HA3  GLY  72           HA3      GLY  72  -5.829   9.394   1.348
  496    H    HIS  73           H        HIS  73  -5.894   7.068   0.266
  497    HA   HIS  73           HA       HIS  73  -3.404   6.314  -1.064
  498    HB2  HIS  73           HB2      HIS  73  -5.027   4.559  -2.217
  499    HB3  HIS  73           HB3      HIS  73  -4.235   4.370  -0.693
  500    HD2  HIS  73           HD2      HIS  73  -5.698   5.038   1.566
  501    HE1  HIS  73           HE1      HIS  73  -9.339   3.549  -0.008
  502    HE2  HIS  73           HE2      HIS  73  -8.093   4.324   2.106
  503    H    LEU  74           H        LEU  74  -3.620   8.672  -1.755
  504    HA   LEU  74           HA       LEU  74  -3.502  10.168  -3.416
  505    HB2  LEU  74           HB2      LEU  74  -1.823   8.476  -3.980
  506    HB3  LEU  74           HB3      LEU  74  -2.957   7.676  -5.050
  507    HG   LEU  74           HG       LEU  74  -2.939   9.526  -6.601
  508   HD11  LEU  74          HD11      LEU  74  -1.223  11.017  -4.581
  509   HD12  LEU  74          HD12      LEU  74  -1.483  11.523  -6.264
  510   HD13  LEU  74          HD13      LEU  74  -2.846  11.475  -5.144
  511   HD21  LEU  74          HD21      LEU  74  -1.086   7.883  -6.711
  512   HD22  LEU  74          HD22      LEU  74  -0.532   9.488  -7.227
  513   HD23  LEU  74          HD23      LEU  74  -0.120   8.881  -5.611
  514    H    ASP  75           H        ASP  75  -5.633  10.477  -2.857
  515    HA   ASP  75           HA       ASP  75  -7.784   9.890  -4.777
  516    HB2  ASP  75           HB2      ASP  75  -9.140  10.113  -2.664
  517    HB3  ASP  75           HB3      ASP  75  -7.950   8.825  -2.649
  518    HA   PRO  76           HA       PRO  76  -7.246  14.548  -4.810
  519    HB2  PRO  76           HB2      PRO  76  -7.065  15.027  -7.503
  520    HB3  PRO  76           HB3      PRO  76  -5.680  14.537  -6.486
  521    HG2  PRO  76           HG2      PRO  76  -7.407  12.761  -8.244
  522    HG3  PRO  76           HG3      PRO  76  -5.622  12.819  -8.129
  523    HD2  PRO  76           HD2      PRO  76  -7.077  10.967  -6.757
  524    HD3  PRO  76           HD3      PRO  76  -5.609  11.720  -6.064
  525    H    GLN  77           H        GLN  77  -9.201  13.000  -7.473
  526    HA   GLN  77           HA       GLN  77 -11.552  14.583  -6.605
  527    HB2  GLN  77           HB2      GLN  77 -12.017  15.291  -8.898
  528    HB3  GLN  77           HB3      GLN  77 -10.524  15.981  -8.273
  529    HG2  GLN  77           HG2      GLN  77  -9.221  14.281  -9.583
  530    HG3  GLN  77           HG3      GLN  77 -10.731  13.688 -10.279
  531   HE21  GLN  77          HE21      GLN  77  -8.469  14.787 -11.770
  532   HE22  GLN  77          HE22      GLN  77  -9.058  16.227 -12.573
  533    H    ASN  78           H        ASN  78 -13.352  13.389  -6.562
  534    HA   ASN  78           HA       ASN  78 -14.039  11.178  -8.154
  535    HB2  ASN  78           HB2      ASN  78 -13.656   9.300  -6.500
  536    HB3  ASN  78           HB3      ASN  78 -12.275   9.856  -7.402
  537   HD21  ASN  78          HD21      ASN  78 -10.425  10.662  -6.230
  538   HD22  ASN  78          HD22      ASN  78 -10.473  10.863  -4.476
  539    H    THR  79           H        THR  79 -14.422  10.981  -4.647
  540    HA   THR  79           HA       THR  79 -16.899  12.122  -4.092
  541    HB   THR  79           HB       THR  79 -17.979  10.961  -5.891
  542    HG1  THR  79           HG1      THR  79 -19.132  11.027  -3.987
  543   HG21  THR  79          HG21      THR  79 -16.862   8.370  -4.749
  544   HG22  THR  79          HG22      THR  79 -18.094   8.493  -6.017
  545   HG23  THR  79          HG23      THR  79 -16.456   9.073  -6.328
  546    H    GLY  80           H        GLY  80 -14.526   9.653  -3.518
  547    HA2  GLY  80           HA2      GLY  80 -13.860   9.266  -1.180
  548    HA3  GLY  80           HA3      GLY  80 -15.582   9.097  -0.763
  549    H    LYS  81           H        LYS  81 -16.300   7.595  -3.146
  550    HA   LYS  81           HA       LYS  81 -15.716   4.939  -2.500
  551    HB2  LYS  81           HB2      LYS  81 -17.584   5.624  -3.937
  552    HB3  LYS  81           HB3      LYS  81 -16.455   6.068  -5.233
  553    HG2  LYS  81           HG2      LYS  81 -15.753   3.794  -5.534
  554    HG3  LYS  81           HG3      LYS  81 -16.570   3.270  -4.054
  555    HD2  LYS  81           HD2      LYS  81 -18.762   3.631  -5.081
  556    HD3  LYS  81           HD3      LYS  81 -17.989   4.277  -6.554
  557    HE2  LYS  81           HE2      LYS  81 -16.802   2.133  -6.887
  558    HE3  LYS  81           HE3      LYS  81 -17.522   1.472  -5.414
  559    HZ1  LYS  81           HZ1      LYS  81 -19.257   2.415  -7.617
  560    HZ2  LYS  81           HZ2      LYS  81 -18.554   0.936  -7.666
  561    HZ3  LYS  81           HZ3      LYS  81 -19.593   1.307  -6.448
  562    H    HIS  82           H        HIS  82 -14.412   3.379  -3.347
  563    HA   HIS  82           HA       HIS  82 -11.660   4.262  -4.026
  564    HB2  HIS  82           HB2      HIS  82 -11.939   3.103  -1.923
  565    HB3  HIS  82           HB3      HIS  82 -12.919   1.859  -2.673
  566    HD2  HIS  82           HD2      HIS  82 -11.855  -0.276  -3.341
  567    HE1  HIS  82           HE1      HIS  82  -7.754   0.675  -3.063
  568    HE2  HIS  82           HE2      HIS  82  -9.451  -1.167  -3.415
  569    H    GLU  83           H        GLU  83 -10.437   3.149  -5.642
  570    HA   GLU  83           HA       GLU  83 -11.925   2.529  -8.057
  571    HB2  GLU  83           HB2      GLU  83  -9.705   3.740  -7.847
  572    HB3  GLU  83           HB3      GLU  83  -8.978   2.198  -7.408
  573    HG2  GLU  83           HG2      GLU  83  -8.461   2.249  -9.627
  574    HG3  GLU  83           HG3      GLU  83 -10.016   1.425  -9.751
  575    H    GLY  84           H        GLY  84 -12.437   0.448  -8.809
  576    HA2  GLY  84           HA2      GLY  84 -11.370  -1.994  -7.655
  577    HA3  GLY  84           HA3      GLY  84 -12.829  -1.480  -6.851
  578    HA   PRO  85           HA       PRO  85 -13.955  -4.289 -10.274
  579    HB2  PRO  85           HB2      PRO  85 -16.242  -5.395  -9.244
  580    HB3  PRO  85           HB3      PRO  85 -14.600  -5.827  -8.678
  581    HG2  PRO  85           HG2      PRO  85 -16.526  -3.830  -7.446
  582    HG3  PRO  85           HG3      PRO  85 -15.621  -5.144  -6.627
  583    HD2  PRO  85           HD2      PRO  85 -14.723  -2.579  -6.647
  584    HD3  PRO  85           HD3      PRO  85 -13.586  -3.955  -6.769
  585    H    GLU  86           H        GLU  86 -15.934  -1.611  -9.106
  586    HA   GLU  86           HA       GLU  86 -16.980  -1.102 -11.725
  587    HB2  GLU  86           HB2      GLU  86 -19.367  -1.251 -11.146
  588    HB3  GLU  86           HB3      GLU  86 -18.578  -2.822 -11.214
  589    HG2  GLU  86           HG2      GLU  86 -18.417  -2.791  -8.685
  590    HG3  GLU  86           HG3      GLU  86 -19.370  -1.299  -8.695
  591    H    GLY  87           H        GLY  87 -17.853   0.970 -11.909
  592    HA2  GLY  87           HA2      GLY  87 -18.354   3.184 -11.201
  593    HA3  GLY  87           HA3      GLY  87 -17.841   2.783  -9.551
  594    H    GLN  88           H        GLN  88 -16.233   4.225  -9.120
  595    HA   GLN  88           HA       GLN  88 -13.683   4.052 -10.418
  596    HB2  GLN  88           HB2      GLN  88 -15.288   5.678 -11.876
  597    HB3  GLN  88           HB3      GLN  88 -14.933   6.806 -10.582
  598    HG2  GLN  88           HG2      GLN  88 -13.345   7.289 -12.234
  599    HG3  GLN  88           HG3      GLN  88 -12.419   6.314 -11.096
  600   HE21  GLN  88          HE21      GLN  88 -11.903   4.050 -11.746
  601   HE22  GLN  88          HE22      GLN  88 -12.021   3.614 -13.451
  602    H    GLY  89           H        GLY  89 -12.062   5.253  -9.193
  603    HA2  GLY  89           HA2      GLY  89 -12.907   6.892  -6.880
  604    HA3  GLY  89           HA3      GLY  89 -12.197   5.351  -6.493
  605    H    HIS  90           H        HIS  90 -10.192   5.569  -5.858
  606    HA   HIS  90           HA       HIS  90  -8.586   7.927  -6.548
  607    HB2  HIS  90           HB2      HIS  90  -7.455   5.903  -4.715
  608    HB3  HIS  90           HB3      HIS  90  -7.542   7.625  -4.562
  609    HD2  HIS  90           HD2      HIS  90 -10.390   8.421  -4.007
  610    HE1  HIS  90           HE1      HIS  90 -10.912   5.113  -1.410
  611    HE2  HIS  90           HE2      HIS  90 -11.845   7.358  -2.148
  612    H    LEU  91           H        LEU  91  -6.436   7.856  -7.442
  613    HA   LEU  91           HA       LEU  91  -6.068   5.527  -9.214
  614    HB2  LEU  91           HB2      LEU  91  -4.592   6.859 -10.478
  615    HB3  LEU  91           HB3      LEU  91  -6.017   7.789 -10.085
  616    HG   LEU  91           HG       LEU  91  -4.428   8.655  -8.070
  617   HD11  LEU  91          HD11      LEU  91  -2.500   7.934 -10.337
  618   HD12  LEU  91          HD12      LEU  91  -2.113   8.999  -8.979
  619   HD13  LEU  91          HD13      LEU  91  -2.460   7.288  -8.685
  620   HD21  LEU  91          HD21      LEU  91  -5.549  10.087  -9.721
  621   HD22  LEU  91          HD22      LEU  91  -3.873  10.602  -9.482
  622   HD23  LEU  91          HD23      LEU  91  -4.316   9.680 -10.937
  623    H    GLY  92           H        GLY  92  -4.875   6.285  -6.127
  624    HA2  GLY  92           HA2      GLY  92  -2.347   4.795  -6.404
  625    HA3  GLY  92           HA3      GLY  92  -2.998   5.556  -4.930
  626    H    ASP  93           H        ASP  93  -4.808   3.229  -6.898
  627    HA   ASP  93           HA       ASP  93  -4.712   1.299  -4.614
  628    HB2  ASP  93           HB2      ASP  93  -6.955   2.011  -6.524
  629    HB3  ASP  93           HB3      ASP  93  -7.043   0.758  -5.288
  630    H    LEU  94           H        LEU  94  -4.155  -0.817  -5.031
  631    HA   LEU  94           HA       LEU  94  -3.489  -1.633  -7.807
  632    HB2  LEU  94           HB2      LEU  94  -1.457  -1.642  -5.524
  633    HB3  LEU  94           HB3      LEU  94  -1.179  -2.065  -7.152
  634    HG   LEU  94           HG       LEU  94  -1.935   0.499  -7.582
  635   HD11  LEU  94          HD11      LEU  94  -0.636   0.572  -4.857
  636   HD12  LEU  94          HD12      LEU  94  -1.004   1.972  -5.899
  637   HD13  LEU  94          HD13      LEU  94  -2.313   1.010  -5.224
  638   HD21  LEU  94          HD21      LEU  94   0.320  -0.684  -8.097
  639   HD22  LEU  94          HD22      LEU  94   0.383   1.051  -7.777
  640   HD23  LEU  94          HD23      LEU  94   0.834  -0.100  -6.506
  641    HA   PRO  95           HA       PRO  95  -4.903  -5.496  -6.633
  642    HB2  PRO  95           HB2      PRO  95  -3.392  -7.410  -7.899
  643    HB3  PRO  95           HB3      PRO  95  -4.444  -6.241  -8.757
  644    HG2  PRO  95           HG2      PRO  95  -1.462  -6.037  -8.243
  645    HG3  PRO  95           HG3      PRO  95  -2.336  -5.792  -9.791
  646    HD2  PRO  95           HD2      PRO  95  -1.606  -3.734  -8.209
  647    HD3  PRO  95           HD3      PRO  95  -3.166  -3.688  -9.088
  648    H    VAL  96           H        VAL  96  -4.813  -7.367  -5.376
  649    HA   VAL  96           HA       VAL  96  -3.562  -6.744  -2.950
  650    HB   VAL  96           HB       VAL  96  -5.098  -9.259  -3.663
  651   HG11  VAL  96          HG11      VAL  96  -4.799  -7.968  -0.951
  652   HG12  VAL  96          HG12      VAL  96  -5.702  -9.428  -1.338
  653   HG13  VAL  96          HG13      VAL  96  -3.935  -9.440  -1.463
  654   HG21  VAL  96          HG21      VAL  96  -6.439  -7.278  -4.211
  655   HG22  VAL  96          HG22      VAL  96  -7.071  -8.032  -2.749
  656   HG23  VAL  96          HG23      VAL  96  -6.075  -6.568  -2.624
  657    H    LEU  97           H        LEU  97  -1.893  -7.405  -1.864
  658    HA   LEU  97           HA       LEU  97   0.267  -8.954  -2.975
  659    HB2  LEU  97           HB2      LEU  97   0.160  -6.760  -1.533
  660    HB3  LEU  97           HB3      LEU  97  -0.102  -7.791  -0.188
  661    HG   LEU  97           HG       LEU  97   2.058  -7.589   0.129
  662   HD11  LEU  97          HD11      LEU  97   2.389  -9.534  -2.197
  663   HD12  LEU  97          HD12      LEU  97   3.571  -9.208  -0.915
  664   HD13  LEU  97          HD13      LEU  97   2.033  -9.985  -0.506
  665   HD21  LEU  97          HD21      LEU  97   2.227  -5.832  -1.432
  666   HD22  LEU  97          HD22      LEU  97   3.681  -6.841  -1.525
  667   HD23  LEU  97          HD23      LEU  97   2.431  -6.969  -2.794
  668    H    VAL  98           H        VAL  98  -0.724 -11.053  -3.162
  669    HA   VAL  98           HA       VAL  98  -1.666 -12.605  -0.952
  670    HB   VAL  98           HB       VAL  98  -0.343 -13.556  -3.518
  671   HG11  VAL  98          HG11      VAL  98  -2.049 -15.080  -1.492
  672   HG12  VAL  98          HG12      VAL  98  -1.592 -15.690  -3.097
  673   HG13  VAL  98          HG13      VAL  98  -0.344 -15.390  -1.889
  674   HG21  VAL  98          HG21      VAL  98  -2.331 -12.221  -4.008
  675   HG22  VAL  98          HG22      VAL  98  -2.691 -13.925  -4.288
  676   HG23  VAL  98          HG23      VAL  98  -3.279 -13.128  -2.813
  677    H    VAL  99           H        VAL  99  -0.695 -13.821   0.558
  678    HA   VAL  99           HA       VAL  99   2.291 -14.003   0.723
  679    HB   VAL  99           HB       VAL  99   0.551 -14.112   3.185
  680   HG11  VAL  99          HG11      VAL  99   3.255 -12.714   2.837
  681   HG12  VAL  99          HG12      VAL  99   2.394 -13.032   4.322
  682   HG13  VAL  99          HG13      VAL  99   3.020 -14.400   3.381
  683   HG21  VAL  99          HG21      VAL  99  -0.384 -12.093   2.192
  684   HG22  VAL  99          HG22      VAL  99   0.624 -11.752   3.584
  685   HG23  VAL  99          HG23      VAL  99   1.245 -11.446   1.931
  686    H    ASN 100           H        ASN 100   3.009 -16.170   1.200
  687    HA   ASN 100           HA       ASN 100   0.972 -18.261   0.947
  688    HB2  ASN 100           HB2      ASN 100   2.637 -19.676   0.485
  689    HB3  ASN 100           HB3      ASN 100   3.560 -18.210   0.189
  690   HD21  ASN 100          HD21      ASN 100   5.095 -17.525   1.875
  691   HD22  ASN 100          HD22      ASN 100   5.650 -18.726   3.064
  692    H    ASN 101           H        ASN 101   0.688 -19.996   2.528
  693    HA   ASN 101           HA       ASN 101  -0.284 -19.260   4.944
  694    HB2  ASN 101           HB2      ASN 101  -0.735 -21.463   5.301
  695    HB3  ASN 101           HB3      ASN 101  -0.442 -21.481   3.563
  696   HD21  ASN 101          HD21      ASN 101   2.360 -21.604   3.334
  697   HD22  ASN 101          HD22      ASN 101   3.010 -22.787   4.415
  698    H    ASP 102           H        ASP 102   3.109 -19.700   4.436
  699    HA   ASP 102           HA       ASP 102   3.836 -20.056   7.272
  700    HB2  ASP 102           HB2      ASP 102   4.801 -21.313   5.213
  701    HB3  ASP 102           HB3      ASP 102   5.674 -19.823   4.861
  702    H    GLY 103           H        GLY 103   3.004 -17.421   5.482
  703    HA2  GLY 103           HA2      GLY 103   3.054 -15.201   6.142
  704    HA3  GLY 103           HA3      GLY 103   4.314 -15.566   7.335
  705    H    ILE 104           H        ILE 104   4.742 -16.433   3.967
  706    HA   ILE 104           HA       ILE 104   6.590 -14.119   3.588
  707    HB   ILE 104           HB       ILE 104   7.201 -16.919   2.588
  708   HG12  ILE 104          HG12      ILE 104   8.339 -15.498   5.036
  709   HG13  ILE 104          HG13      ILE 104   7.311 -16.925   5.052
  710   HG21  ILE 104          HG21      ILE 104   8.841 -14.353   2.682
  711   HG22  ILE 104          HG22      ILE 104   9.432 -15.925   2.104
  712   HG23  ILE 104          HG23      ILE 104   8.156 -15.102   1.229
  713   HD11  ILE 104          HD11      ILE 104  10.163 -16.799   4.037
  714   HD12  ILE 104          HD12      ILE 104   9.527 -17.662   5.443
  715   HD13  ILE 104          HD13      ILE 104   9.075 -18.195   3.813
  716    H    ALA 105           H        ALA 105   6.390 -13.001   1.755
  717    HA   ALA 105           HA       ALA 105   4.569 -13.988  -0.416
  718    HB1  ALA 105           HB1      ALA 105   5.357 -11.140   0.398
  719    HB2  ALA 105           HB2      ALA 105   4.244 -11.590  -0.909
  720    HB3  ALA 105           HB3      ALA 105   3.795 -11.930   0.767
  721    H    THR 106           H        THR 106   5.392 -14.133  -2.493
  722    HA   THR 106           HA       THR 106   7.836 -12.587  -3.173
  723    HB   THR 106           HB       THR 106   8.571 -14.807  -2.462
  724    HG1  THR 106           HG1      THR 106   8.815 -13.839  -5.061
  725   HG21  THR 106          HG21      THR 106   7.087 -15.820  -4.936
  726   HG22  THR 106          HG22      THR 106   8.213 -16.747  -3.927
  727   HG23  THR 106          HG23      THR 106   6.669 -16.202  -3.250
  728    H    GLU 107           H        GLU 107   4.724 -13.293  -4.127
  729    HA   GLU 107           HA       GLU 107   4.776 -14.009  -6.682
  730    HB2  GLU 107           HB2      GLU 107   2.755 -11.950  -5.785
  731    HB3  GLU 107           HB3      GLU 107   2.572 -13.249  -6.960
  732    HG2  GLU 107           HG2      GLU 107   2.675 -13.414  -3.940
  733    HG3  GLU 107           HG3      GLU 107   1.377 -13.900  -5.029
  734    HA   PRO 108           HA       PRO 108   6.349 -10.332  -8.948
  735    HB2  PRO 108           HB2      PRO 108   6.888 -11.570 -11.331
  736    HB3  PRO 108           HB3      PRO 108   7.985 -11.623  -9.920
  737    HG2  PRO 108           HG2      PRO 108   5.951 -13.706 -10.765
  738    HG3  PRO 108           HG3      PRO 108   7.661 -13.954 -10.292
  739    HD2  PRO 108           HD2      PRO 108   5.583 -14.308  -8.556
  740    HD3  PRO 108           HD3      PRO 108   7.157 -13.661  -8.026
  741    H    VAL 109           H        VAL 109   4.546  -9.164  -9.080
  742    HA   VAL 109           HA       VAL 109   2.462  -9.820 -11.141
  743    HB   VAL 109           HB       VAL 109   0.792  -8.733  -9.726
  744   HG11  VAL 109          HG11      VAL 109   2.168 -11.007  -8.239
  745   HG12  VAL 109          HG12      VAL 109   0.470 -10.512  -8.096
  746   HG13  VAL 109          HG13      VAL 109   1.067 -11.187  -9.623
  747   HG21  VAL 109          HG21      VAL 109   2.195  -7.219  -8.390
  748   HG22  VAL 109          HG22      VAL 109   1.200  -8.239  -7.347
  749   HG23  VAL 109          HG23      VAL 109   2.925  -8.603  -7.546
  750    H    THR 110           H        THR 110   1.115  -7.574 -11.499
  751    HA   THR 110           HA       THR 110   2.965  -5.257 -11.678
  752    HB   THR 110           HB       THR 110   1.555  -6.481 -14.102
  753    HG1  THR 110           HG1      THR 110   3.588  -7.069 -14.748
  754   HG21  THR 110          HG21      THR 110   3.585  -4.205 -13.933
  755   HG22  THR 110          HG22      THR 110   2.940  -4.910 -15.424
  756   HG23  THR 110          HG23      THR 110   1.863  -4.032 -14.336
  757    H    ALA 111           H        ALA 111   2.000  -3.339 -11.689
  758    HA   ALA 111           HA       ALA 111  -0.987  -3.240 -11.753
  759    HB1  ALA 111           HB1      ALA 111   1.003  -1.416 -10.366
  760    HB2  ALA 111           HB2      ALA 111  -0.764  -1.224 -10.367
  761    HB3  ALA 111           HB3      ALA 111  -0.022  -2.639  -9.592
  762    HA   PRO 112           HA       PRO 112   0.103  -0.824 -15.531
  763    HB2  PRO 112           HB2      PRO 112  -2.279  -1.079 -16.842
  764    HB3  PRO 112           HB3      PRO 112  -1.075  -2.397 -16.773
  765    HG2  PRO 112           HG2      PRO 112  -3.504  -2.010 -14.995
  766    HG3  PRO 112           HG3      PRO 112  -3.014  -3.488 -15.888
  767    HD2  PRO 112           HD2      PRO 112  -2.413  -3.121 -13.269
  768    HD3  PRO 112           HD3      PRO 112  -1.262  -3.937 -14.371
  769    H    ARG 113           H        ARG 113  -1.436  -0.057 -12.797
  770    HA   ARG 113           HA       ARG 113  -3.222   2.090 -13.566
  771    HB2  ARG 113           HB2      ARG 113  -2.304   0.748 -11.085
  772    HB3  ARG 113           HB3      ARG 113  -2.520   2.468 -10.860
  773    HG2  ARG 113           HG2      ARG 113  -4.737   1.026 -12.289
  774    HG3  ARG 113           HG3      ARG 113  -4.517   0.684 -10.579
  775    HD2  ARG 113           HD2      ARG 113  -6.159   2.517 -11.047
  776    HD3  ARG 113           HD3      ARG 113  -4.859   2.945  -9.931
  777    HE   ARG 113           HE       ARG 113  -3.715   3.943 -12.031
  778   HH11  ARG 113          HH11      ARG 113  -7.325   4.211 -11.569
  779   HH12  ARG 113          HH12      ARG 113  -7.281   5.643 -12.531
  780   HH21  ARG 113          HH21      ARG 113  -3.963   5.693 -13.302
  781   HH22  ARG 113          HH22      ARG 113  -5.568   6.407 -13.499
  782    H    LEU 114           H        LEU 114   0.163   1.883 -13.369
  783    HA   LEU 114           HA       LEU 114   0.685   4.715 -13.887
  784    HB2  LEU 114           HB2      LEU 114   2.066   3.285 -11.567
  785    HB3  LEU 114           HB3      LEU 114   2.412   4.879 -12.182
  786    HG   LEU 114           HG       LEU 114  -0.200   5.264 -11.478
  787   HD11  LEU 114          HD11      LEU 114   0.916   3.277  -9.436
  788   HD12  LEU 114          HD12      LEU 114  -0.661   4.101  -9.356
  789   HD13  LEU 114          HD13      LEU 114  -0.340   2.867 -10.587
  790   HD21  LEU 114          HD21      LEU 114   1.636   6.669 -10.726
  791   HD22  LEU 114          HD22      LEU 114   0.615   6.224  -9.354
  792   HD23  LEU 114          HD23      LEU 114   2.174   5.407  -9.597
  793    H    LYS 115           H        LYS 115   2.906   4.909 -14.842
  794    HA   LYS 115           HA       LYS 115   4.296   2.372 -15.393
  795    HB2  LYS 115           HB2      LYS 115   4.078   2.382 -17.755
  796    HB3  LYS 115           HB3      LYS 115   2.514   2.248 -16.988
  797    HG2  LYS 115           HG2      LYS 115   3.603   4.789 -18.261
  798    HG3  LYS 115           HG3      LYS 115   2.554   3.610 -19.035
  799    HD2  LYS 115           HD2      LYS 115   0.903   4.043 -17.072
  800    HD3  LYS 115           HD3      LYS 115   1.841   5.519 -16.783
  801    HE2  LYS 115           HE2      LYS 115   0.616   4.714 -19.465
  802    HE3  LYS 115           HE3      LYS 115  -0.196   5.774 -18.305
  803    HZ1  LYS 115           HZ1      LYS 115   2.502   6.465 -19.256
  804    HZ2  LYS 115           HZ2      LYS 115   1.164   6.837 -20.171
  805    HZ3  LYS 115           HZ3      LYS 115   1.365   7.434 -18.646
  806    H    SER 116           H        SER 116   5.283   4.482 -13.985
  807    HA   SER 116           HA       SER 116   7.961   4.170 -14.932
  808    HB2  SER 116           HB2      SER 116   6.649   6.820 -15.488
  809    HB3  SER 116           HB3      SER 116   8.318   6.807 -14.897
  810    HG   SER 116           HG       SER 116   7.375   5.293 -17.105
  811    H    LEU 117           H        LEU 117   9.499   4.649 -13.220
  812    HA   LEU 117           HA       LEU 117   8.397   4.904 -10.570
  813    HB2  LEU 117           HB2      LEU 117  11.201   5.056 -11.737
  814    HB3  LEU 117           HB3      LEU 117  10.910   5.575 -10.094
  815    HG   LEU 117           HG       LEU 117  11.736   3.407  -9.976
  816   HD11  LEU 117          HD11      LEU 117   8.737   3.126  -9.478
  817   HD12  LEU 117          HD12      LEU 117  10.032   2.220  -8.711
  818   HD13  LEU 117          HD13      LEU 117   9.879   3.957  -8.391
  819   HD21  LEU 117          HD21      LEU 117  11.259   2.548 -12.209
  820   HD22  LEU 117          HD22      LEU 117  10.797   1.415 -10.928
  821   HD23  LEU 117          HD23      LEU 117   9.538   2.352 -11.767
  822    H    ASP 118           H        ASP 118   9.456   7.299 -12.898
  823    HA   ASP 118           HA       ASP 118   9.490   9.592 -11.315
  824    HB2  ASP 118           HB2      ASP 118   8.470   9.280 -14.163
  825    HB3  ASP 118           HB3      ASP 118   9.009  10.788 -13.409
  826    H    GLU 119           H        GLU 119   6.695   7.654 -12.057
  827    HA   GLU 119           HA       GLU 119   4.764   9.785 -11.433
  828    HB2  GLU 119           HB2      GLU 119   4.375   6.805 -11.939
  829    HB3  GLU 119           HB3      GLU 119   3.095   8.007 -11.766
  830    HG2  GLU 119           HG2      GLU 119   3.723   9.151 -13.778
  831    HG3  GLU 119           HG3      GLU 119   5.210   8.218 -13.937
  832    H    VAL 120           H        VAL 120   6.759   7.766  -9.547
  833    HA   VAL 120           HA       VAL 120   4.950   8.062  -7.177
  834    HB   VAL 120           HB       VAL 120   5.755   5.875  -6.325
  835   HG11  VAL 120          HG11      VAL 120   4.379   5.654  -9.020
  836   HG12  VAL 120          HG12      VAL 120   4.317   4.493  -7.681
  837   HG13  VAL 120          HG13      VAL 120   3.587   6.102  -7.491
  838   HG21  VAL 120          HG21      VAL 120   7.847   5.703  -7.751
  839   HG22  VAL 120          HG22      VAL 120   6.834   4.250  -7.737
  840   HG23  VAL 120          HG23      VAL 120   6.794   5.340  -9.133
  841    H    LYS 121           H        LYS 121   7.871   9.096  -8.316
  842    HA   LYS 121           HA       LYS 121   9.589   8.608  -6.082
  843    HB2  LYS 121           HB2      LYS 121  11.163  10.029  -7.261
  844    HB3  LYS 121           HB3      LYS 121  10.382   8.900  -8.364
  845    HG2  LYS 121           HG2      LYS 121   8.880  10.689  -9.171
  846    HG3  LYS 121           HG3      LYS 121   9.606  11.843  -8.042
  847    HD2  LYS 121           HD2      LYS 121  11.764  11.678  -9.160
  848    HD3  LYS 121           HD3      LYS 121  11.186  10.361 -10.189
  849    HE2  LYS 121           HE2      LYS 121   9.407  11.955 -11.086
  850    HE3  LYS 121           HE3      LYS 121  10.208  13.253 -10.182
  851    HZ1  LYS 121           HZ1      LYS 121  11.417  11.614 -12.344
  852    HZ2  LYS 121           HZ2      LYS 121  11.063  13.205 -12.448
  853    HZ3  LYS 121           HZ3      LYS 121  12.267  12.670 -11.458
  854    H    ASP 122           H        ASP 122   7.062  10.098  -5.398
  855    HA   ASP 122           HA       ASP 122   8.300  11.948  -3.450
  856    HB2  ASP 122           HB2      ASP 122   7.528  13.199  -5.575
  857    HB3  ASP 122           HB3      ASP 122   5.884  12.810  -5.093
  858    H    LYS 123           H        LYS 123   6.878   9.222  -3.606
  859    HA   LYS 123           HA       LYS 123   4.505   9.694  -1.843
  860    HB2  LYS 123           HB2      LYS 123   4.647   7.556  -3.986
  861    HB3  LYS 123           HB3      LYS 123   3.231   8.182  -3.159
  862    HG2  LYS 123           HG2      LYS 123   4.857   9.570  -5.313
  863    HG3  LYS 123           HG3      LYS 123   3.270   8.860  -5.492
  864    HD2  LYS 123           HD2      LYS 123   3.370  10.935  -3.366
  865    HD3  LYS 123           HD3      LYS 123   3.867  11.521  -4.958
  866    HE2  LYS 123           HE2      LYS 123   1.728  10.433  -5.868
  867    HE3  LYS 123           HE3      LYS 123   1.246  10.218  -4.176
  868    HZ1  LYS 123           HZ1      LYS 123   1.881  12.839  -5.460
  869    HZ2  LYS 123           HZ2      LYS 123   0.396  12.325  -5.054
  870    HZ3  LYS 123           HZ3      LYS 123   1.502  12.615  -3.871
  871    H    ALA 124           H        ALA 124   3.666   7.518  -0.952
  872    HA   ALA 124           HA       ALA 124   5.886   5.624  -0.261
  873    HB1  ALA 124           HB1      ALA 124   3.458   6.414   1.405
  874    HB2  ALA 124           HB2      ALA 124   4.591   5.110   1.802
  875    HB3  ALA 124           HB3      ALA 124   5.166   6.774   1.768
  876    H    LEU 125           H        LEU 125   5.479   3.484  -0.331
  877    HA   LEU 125           HA       LEU 125   3.036   2.370  -1.621
  878    HB2  LEU 125           HB2      LEU 125   5.429   1.004  -0.338
  879    HB3  LEU 125           HB3      LEU 125   4.199   0.221  -1.325
  880    HG   LEU 125           HG       LEU 125   6.278   2.216  -2.307
  881   HD11  LEU 125          HD11      LEU 125   6.125  -0.826  -2.483
  882   HD12  LEU 125          HD12      LEU 125   7.390   0.187  -3.192
  883   HD13  LEU 125          HD13      LEU 125   7.209   0.093  -1.441
  884   HD21  LEU 125          HD21      LEU 125   3.937   1.790  -3.615
  885   HD22  LEU 125          HD22      LEU 125   5.470   1.989  -4.455
  886   HD23  LEU 125          HD23      LEU 125   4.837   0.365  -4.190
  887    H    MET 126           H        MET 126   1.666   0.950  -0.372
  888    HA   MET 126           HA       MET 126   2.257   0.679   2.525
  889    HB2  MET 126           HB2      MET 126   0.966   2.825   1.973
  890    HB3  MET 126           HB3      MET 126  -0.413   1.795   1.595
  891    HG2  MET 126           HG2      MET 126  -0.487   0.963   3.849
  892    HG3  MET 126           HG3      MET 126   1.104   1.640   4.233
  893    HE1  MET 126           HE1      MET 126   1.318   4.544   3.405
  894    HE2  MET 126           HE2      MET 126   0.600   5.346   4.815
  895    HE3  MET 126           HE3      MET 126   1.629   3.918   5.027
  896    H    ILE 127           H        ILE 127   1.873  -1.293   3.218
  897    HA   ILE 127           HA       ILE 127   0.221  -3.180   1.576
  898    HB   ILE 127           HB       ILE 127   2.352  -3.708   3.678
  899   HG12  ILE 127          HG12      ILE 127   2.199  -4.311   0.676
  900   HG13  ILE 127          HG13      ILE 127   3.142  -3.021   1.402
  901   HG21  ILE 127          HG21      ILE 127   0.674  -5.727   2.106
  902   HG22  ILE 127          HG22      ILE 127   1.979  -6.113   3.249
  903   HG23  ILE 127          HG23      ILE 127   0.499  -5.397   3.845
  904   HD11  ILE 127          HD11      ILE 127   3.637  -5.998   1.743
  905   HD12  ILE 127          HD12      ILE 127   4.621  -4.829   0.861
  906   HD13  ILE 127          HD13      ILE 127   4.510  -4.720   2.630
  907    H    HIS 128           H        HIS 128  -1.713  -3.256   2.082
  908    HA   HIS 128           HA       HIS 128  -2.758  -2.250   4.602
  909    HB2  HIS 128           HB2      HIS 128  -3.455  -2.282   1.783
  910    HB3  HIS 128           HB3      HIS 128  -4.809  -2.807   2.691
  911    HD1  HIS 128           HD1      HIS 128  -6.037  -0.869   4.064
  912    HD2  HIS 128           HD2      HIS 128  -2.420   0.153   2.222
  913    HE1  HIS 128           HE1      HIS 128  -6.008   1.708   3.911
  914    H    VAL 129           H        VAL 129  -4.382  -3.233   5.868
  915    HA   VAL 129           HA       VAL 129  -3.627  -5.923   6.506
  916    HB   VAL 129           HB       VAL 129  -5.701  -4.033   7.588
  917   HG11  VAL 129          HG11      VAL 129  -5.251  -6.869   8.621
  918   HG12  VAL 129          HG12      VAL 129  -6.098  -5.584   9.508
  919   HG13  VAL 129          HG13      VAL 129  -6.776  -6.192   7.999
  920   HG21  VAL 129          HG21      VAL 129  -3.242  -3.747   8.083
  921   HG22  VAL 129          HG22      VAL 129  -4.196  -4.039   9.544
  922   HG23  VAL 129          HG23      VAL 129  -3.229  -5.345   8.830
  923    H    GLY 130           H        GLY 130  -6.543  -4.685   4.848
  924    HA2  GLY 130           HA2      GLY 130  -7.386  -7.513   4.276
  925    HA3  GLY 130           HA3      GLY 130  -8.427  -6.081   4.149
  926    H    GLY 131           H        GLY 131  -7.782  -8.078   2.119
  927    HA2  GLY 131           HA2      GLY 131  -6.668  -6.655  -0.141
  928    HA3  GLY 131           HA3      GLY 131  -7.811  -8.013  -0.185
  929    H    ASP 132           H        ASP 132  -8.154  -6.097  -1.954
  930    HA   ASP 132           HA       ASP 132  -9.166  -3.683  -0.629
  931    HB2  ASP 132           HB2      ASP 132  -6.817  -4.138  -1.593
  932    HB3  ASP 132           HB3      ASP 132  -7.547  -3.987  -3.182
  933    H    ASN 133           H        ASN 133 -11.096  -5.661  -1.941
  934    HA   ASN 133           HA       ASN 133 -11.852  -4.298  -4.428
  935    HB2  ASN 133           HB2      ASN 133 -13.083  -6.241  -4.955
  936    HB3  ASN 133           HB3      ASN 133 -11.560  -6.777  -4.262
  937   HD21  ASN 133          HD21      ASN 133 -14.574  -7.876  -4.395
  938   HD22  ASN 133          HD22      ASN 133 -14.734  -8.452  -2.749
  939    H    MET 134           H        MET 134 -12.829  -3.411  -1.419
  940    HA   MET 134           HA       MET 134 -15.703  -3.035  -2.230
  941    HB2  MET 134           HB2      MET 134 -14.625  -4.061   0.416
  942    HB3  MET 134           HB3      MET 134 -16.279  -3.482   0.189
  943    HG2  MET 134           HG2      MET 134 -16.640  -5.133  -1.613
  944    HG3  MET 134           HG3      MET 134 -15.027  -5.780  -1.344
  945    HE1  MET 134           HE1      MET 134 -14.636  -5.904   1.798
  946    HE2  MET 134           HE2      MET 134 -15.189  -7.570   2.045
  947    HE3  MET 134           HE3      MET 134 -14.236  -7.154   0.602
  948    H    SER 135           H        SER 135 -16.889  -1.423  -1.477
  949    HA   SER 135           HA       SER 135 -15.672   0.842   0.045
  950    HB2  SER 135           HB2      SER 135 -16.732   2.319  -1.695
  951    HB3  SER 135           HB3      SER 135 -15.382   1.352  -2.283
  952    HG   SER 135           HG       SER 135 -17.742   0.010  -2.699
  953    H    ASP 136           H        ASP 136 -17.845  -1.357   0.440
  954    HA   ASP 136           HA       ASP 136 -20.363   0.161   0.110
  955    HB2  ASP 136           HB2      ASP 136 -19.589  -2.779  -0.155
  956    HB3  ASP 136           HB3      ASP 136 -21.201  -2.130  -0.460
  957    H    GLN 137           H        GLN 137 -18.678  -0.298   2.595
  958    HA   GLN 137           HA       GLN 137 -20.779  -1.139   4.544
  959    HB2  GLN 137           HB2      GLN 137 -17.727  -1.412   4.720
  960    HB3  GLN 137           HB3      GLN 137 -18.859  -1.861   5.976
  961    HG2  GLN 137           HG2      GLN 137 -18.342  -3.902   5.024
  962    HG3  GLN 137           HG3      GLN 137 -19.883  -3.511   4.278
  963   HE21  GLN 137          HE21      GLN 137 -19.308  -5.061   2.560
  964   HE22  GLN 137          HE22      GLN 137 -18.097  -4.619   1.363
  965    HA   PRO 138           HA       PRO 138 -20.264   2.981   6.170
  966    HB2  PRO 138           HB2      PRO 138 -20.111   2.698   8.930
  967    HB3  PRO 138           HB3      PRO 138 -21.611   2.557   7.963
  968    HG2  PRO 138           HG2      PRO 138 -19.780   0.329   8.908
  969    HG3  PRO 138           HG3      PRO 138 -21.566   0.427   9.044
  970    HD2  PRO 138           HD2      PRO 138 -20.451  -0.983   7.067
  971    HD3  PRO 138           HD3      PRO 138 -21.853   0.061   6.712
  972    H    LYS 139           H        LYS 139 -17.710   0.739   6.569
  973    HA   LYS 139           HA       LYS 139 -15.826   2.991   6.535
  974    HB2  LYS 139           HB2      LYS 139 -15.484   0.497   8.264
  975    HB3  LYS 139           HB3      LYS 139 -14.178   1.631   7.883
  976    HG2  LYS 139           HG2      LYS 139 -15.449   3.479   8.926
  977    HG3  LYS 139           HG3      LYS 139 -16.765   2.367   9.337
  978    HD2  LYS 139           HD2      LYS 139 -15.332   1.109  10.848
  979    HD3  LYS 139           HD3      LYS 139 -13.923   2.096  10.383
  980    HE2  LYS 139           HE2      LYS 139 -15.102   4.136  11.153
  981    HE3  LYS 139           HE3      LYS 139 -16.489   3.173  11.669
  982    HZ1  LYS 139           HZ1      LYS 139 -13.838   2.506  12.770
  983    HZ2  LYS 139           HZ2      LYS 139 -14.625   3.847  13.327
  984    HZ3  LYS 139           HZ3      LYS 139 -15.292   2.375  13.487
  985    HA   PRO 140           HA       PRO 140 -15.074   0.792   2.811
  986    HB2  PRO 140           HB2      PRO 140 -12.875   2.050   1.779
  987    HB3  PRO 140           HB3      PRO 140 -14.457   2.853   1.967
  988    HG2  PRO 140           HG2      PRO 140 -12.106   2.942   3.891
  989    HG3  PRO 140           HG3      PRO 140 -13.028   4.325   3.210
  990    HD2  PRO 140           HD2      PRO 140 -13.622   3.325   5.657
  991    HD3  PRO 140           HD3      PRO 140 -14.929   3.828   4.538
  992    H    LEU 141           H        LEU 141 -13.482  -0.451   1.512
  993    HA   LEU 141           HA       LEU 141 -12.377  -2.375   1.290
  994    HB2  LEU 141           HB2      LEU 141 -10.529  -1.489   3.532
  995    HB3  LEU 141           HB3      LEU 141 -10.238  -2.714   2.324
  996    HG   LEU 141           HG       LEU 141  -8.947  -1.108   1.488
  997   HD11  LEU 141          HD11      LEU 141 -11.526  -0.142   0.187
  998   HD12  LEU 141          HD12      LEU 141  -9.881   0.006  -0.432
  999   HD13  LEU 141          HD13      LEU 141 -10.619  -1.598  -0.295
 1000   HD21  LEU 141          HD21      LEU 141  -9.410   0.574   3.209
 1001   HD22  LEU 141          HD22      LEU 141  -9.241   1.296   1.602
 1002   HD23  LEU 141          HD23      LEU 141 -10.849   1.104   2.321
 1003    H    GLY 142           H        GLY 142 -14.679  -2.258   3.138
 1004    HA2  GLY 142           HA2      GLY 142 -15.814  -3.623   4.611
 1005    HA3  GLY 142           HA3      GLY 142 -14.547  -4.853   4.378
 1006    H    GLY 143           H        GLY 143 -13.396  -1.801   5.478
 1007    HA2  GLY 143           HA2      GLY 143 -12.891  -1.140   7.758
 1008    HA3  GLY 143           HA3      GLY 143 -13.007  -2.844   8.266
 1009    H    GLY 144           H        GLY 144 -11.399  -3.138   5.441
 1010    HA2  GLY 144           HA2      GLY 144  -8.845  -3.618   6.618
 1011    HA3  GLY 144           HA3      GLY 144  -9.259  -3.673   4.888
 1012    H    GLY 145           H        GLY 145  -9.701  -0.677   6.619
 1013    HA2  GLY 145           HA2      GLY 145  -7.846   0.782   4.932
 1014    HA3  GLY 145           HA3      GLY 145  -8.785   1.430   6.294
 1015    H    THR 146           H        THR 146  -7.360  -0.937   7.879
 1016    HA   THR 146           HA       THR 146  -5.009   0.534   8.809
 1017    HB   THR 146           HB       THR 146  -4.717  -1.638  10.174
 1018    HG1  THR 146           HG1      THR 146  -6.702  -2.838  10.246
 1019   HG21  THR 146          HG21      THR 146  -7.336  -0.092  10.468
 1020   HG22  THR 146          HG22      THR 146  -6.520  -1.041  11.729
 1021   HG23  THR 146          HG23      THR 146  -5.756   0.426  11.097
 1022    H    ARG 147           H        ARG 147  -2.876  -0.630   8.953
 1023    HA   ARG 147           HA       ARG 147  -2.185  -2.245   6.594
 1024    HB2  ARG 147           HB2      ARG 147  -0.320  -0.514   6.112
 1025    HB3  ARG 147           HB3      ARG 147  -1.913  -0.271   5.445
 1026    HG2  ARG 147           HG2      ARG 147  -1.239   1.086   8.073
 1027    HG3  ARG 147           HG3      ARG 147  -0.536   1.685   6.581
 1028    HD2  ARG 147           HD2      ARG 147  -2.927   1.731   5.609
 1029    HD3  ARG 147           HD3      ARG 147  -3.493   1.529   7.275
 1030    HE   ARG 147           HE       ARG 147  -1.612   3.668   7.164
 1031   HH11  ARG 147          HH11      ARG 147  -5.000   3.145   6.165
 1032   HH12  ARG 147          HH12      ARG 147  -5.176   4.864   5.824
 1033   HH21  ARG 147          HH21      ARG 147  -2.040   5.731   6.910
 1034   HH22  ARG 147          HH22      ARG 147  -3.567   6.329   6.380
 1035    H    TYR 148           H        TYR 148  -0.238  -3.286   6.692
 1036    HA   TYR 148           HA       TYR 148   0.848  -3.550   9.456
 1037    HB2  TYR 148           HB2      TYR 148  -0.019  -5.579   8.351
 1038    HB3  TYR 148           HB3      TYR 148   1.166  -5.467   7.061
 1039    HD1  TYR 148           HD1      TYR 148   1.216  -5.295  10.851
 1040    HD2  TYR 148           HD2      TYR 148   2.920  -6.973   7.255
 1041    HE1  TYR 148           HE1      TYR 148   2.858  -6.548  12.212
 1042    HE2  TYR 148           HE2      TYR 148   4.546  -8.261   8.640
 1043    HH   TYR 148           HH       TYR 148   4.731  -7.891  12.195
 1044    H    ALA 149           H        ALA 149   1.870  -2.593   6.195
 1045    HA   ALA 149           HA       ALA 149   4.414  -1.582   7.317
 1046    HB1  ALA 149           HB1      ALA 149   4.306  -3.484   4.931
 1047    HB2  ALA 149           HB2      ALA 149   5.752  -2.698   5.587
 1048    HB3  ALA 149           HB3      ALA 149   4.889  -3.905   6.556
 1049    H    CYS 150           H        CYS 150   5.519  -0.093   6.053
 1050    HA   CYS 150           HA       CYS 150   4.175   1.181   3.747
 1051    HB2  CYS 150           HB2      CYS 150   3.333   2.339   5.691
 1052    HB3  CYS 150           HB3      CYS 150   4.949   2.486   6.373
 1053    H    GLY 151           H        GLY 151   5.653   2.527   2.555
 1054    HA2  GLY 151           HA2      GLY 151   8.518   2.477   3.150
 1055    HA3  GLY 151           HA3      GLY 151   8.100   1.454   1.791
 1056    H    VAL 152           H        VAL 152   8.939   4.519   2.683
 1057    HA   VAL 152           HA       VAL 152   7.747   6.099   0.583
 1058    HB   VAL 152           HB       VAL 152  10.309   6.669   2.125
 1059   HG11  VAL 152          HG11      VAL 152   8.456   8.501   0.537
 1060   HG12  VAL 152          HG12      VAL 152   9.772   9.056   1.590
 1061   HG13  VAL 152          HG13      VAL 152  10.142   8.107   0.149
 1062   HG21  VAL 152          HG21      VAL 152   8.495   6.388   3.715
 1063   HG22  VAL 152          HG22      VAL 152   8.825   8.111   3.549
 1064   HG23  VAL 152          HG23      VAL 152   7.414   7.399   2.733
 1065    H    ILE 153           H        ILE 153   8.352   6.414  -1.520
 1066    HA   ILE 153           HA       ILE 153  10.481   4.717  -2.672
 1067    HB   ILE 153           HB       ILE 153   8.644   6.768  -3.980
 1068   HG12  ILE 153          HG12      ILE 153   7.764   4.554  -5.115
 1069   HG13  ILE 153          HG13      ILE 153   8.455   3.745  -3.716
 1070   HG21  ILE 153          HG21      ILE 153  10.534   4.726  -5.233
 1071   HG22  ILE 153          HG22      ILE 153   9.390   5.747  -6.123
 1072   HG23  ILE 153          HG23      ILE 153  10.726   6.496  -5.280
 1073   HD11  ILE 153          HD11      ILE 153   6.372   5.959  -3.587
 1074   HD12  ILE 153          HD12      ILE 153   5.994   4.235  -3.592
 1075   HD13  ILE 153          HD13      ILE 153   6.907   4.914  -2.241
 1076    H    LYS 154           H        LYS 154  12.531   5.367  -3.223
 1077    HA   LYS 154           HA       LYS 154  13.209   8.277  -3.075
 1078    HB2  LYS 154           HB2      LYS 154  14.568   5.973  -1.611
 1079    HB3  LYS 154           HB3      LYS 154  15.261   7.576  -1.779
 1080    HG2  LYS 154           HG2      LYS 154  12.695   6.901  -0.278
 1081    HG3  LYS 154           HG3      LYS 154  14.270   7.257   0.422
 1082    HD2  LYS 154           HD2      LYS 154  14.133   9.567  -0.657
 1083    HD3  LYS 154           HD3      LYS 154  12.453   9.197  -1.068
 1084    HE2  LYS 154           HE2      LYS 154  11.999   8.725   1.353
 1085    HE3  LYS 154           HE3      LYS 154  13.662   9.192   1.731
 1086    HZ1  LYS 154           HZ1      LYS 154  11.596  10.984   0.573
 1087    HZ2  LYS 154           HZ2      LYS 154  12.206  11.040   2.111
 1088    HZ3  LYS 154           HZ3      LYS 154  13.156  11.415   0.852
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1  12.251  -0.993 -14.807
    2    H2   ALA   1           H2       ALA   1  12.987  -0.450 -16.170
    3    H3   ALA   1           H3       ALA   1  12.022   0.562 -15.317
    4    HA   ALA   1           HA       ALA   1  14.564  -0.583 -14.392
    5    HB1  ALA   1           HB1      ALA   1  13.917   2.333 -15.012
    6    HB2  ALA   1           HB2      ALA   1  15.480   1.674 -14.498
    7    HB3  ALA   1           HB3      ALA   1  14.826   1.245 -16.089
    8    H    SER   2           H        SER   2  15.322   0.646 -12.298
    9    HA   SER   2           HA       SER   2  13.071  -0.393 -10.686
   10    HB2  SER   2           HB2      SER   2  16.012  -1.052 -10.508
   11    HB3  SER   2           HB3      SER   2  14.647  -1.953  -9.820
   12    HG   SER   2           HG       SER   2  15.605  -2.755 -11.893
   13    H    GLU   3           H        GLU   3  12.672   0.151  -8.603
   14    HA   GLU   3           HA       GLU   3  14.923   1.106  -6.996
   15    HB2  GLU   3           HB2      GLU   3  13.604   3.221  -7.596
   16    HB3  GLU   3           HB3      GLU   3  12.236   2.524  -6.703
   17    HG2  GLU   3           HG2      GLU   3  13.594   4.162  -5.401
   18    HG3  GLU   3           HG3      GLU   3  13.574   2.555  -4.641
   19    H    LYS   4           H        LYS   4  14.983   0.314  -4.986
   20    HA   LYS   4           HA       LYS   4  13.017  -1.809  -4.337
   21    HB2  LYS   4           HB2      LYS   4  14.816  -2.557  -2.722
   22    HB3  LYS   4           HB3      LYS   4  15.288  -2.559  -4.408
   23    HG2  LYS   4           HG2      LYS   4  17.130  -1.408  -3.892
   24    HG3  LYS   4           HG3      LYS   4  16.134  -0.018  -3.504
   25    HD2  LYS   4           HD2      LYS   4  15.926  -0.991  -1.140
   26    HD3  LYS   4           HD3      LYS   4  17.231  -2.097  -1.573
   27    HE2  LYS   4           HE2      LYS   4  17.458   0.916  -2.000
   28    HE3  LYS   4           HE3      LYS   4  17.739   0.231  -0.402
   29    HZ1  LYS   4           HZ1      LYS   4  19.286  -0.624  -2.780
   30    HZ2  LYS   4           HZ2      LYS   4  19.762   0.545  -1.751
   31    HZ3  LYS   4           HZ3      LYS   4  19.587  -1.006  -1.216
   32    H    VAL   5           H        VAL   5  11.206  -0.946  -3.275
   33    HA   VAL   5           HA       VAL   5  11.718   1.305  -1.425
   34    HB   VAL   5           HB       VAL   5   9.067   0.088  -2.204
   35   HG11  VAL   5          HG11      VAL   5   9.883   2.738  -0.899
   36   HG12  VAL   5          HG12      VAL   5   8.239   2.357  -1.424
   37   HG13  VAL   5          HG13      VAL   5   8.978   1.422  -0.120
   38   HG21  VAL   5          HG21      VAL   5  10.209   0.976  -4.227
   39   HG22  VAL   5          HG22      VAL   5   8.842   1.983  -3.769
   40   HG23  VAL   5          HG23      VAL   5  10.489   2.521  -3.387
   41    H    GLY   6           H        GLY   6  12.043   1.014   0.629
   42    HA2  GLY   6           HA2      GLY   6  12.000  -1.592   1.885
   43    HA3  GLY   6           HA3      GLY   6  12.490  -0.046   2.628
   44    H    MET   7           H        MET   7  10.213  -2.465   2.527
   45    HA   MET   7           HA       MET   7   7.983  -1.005   3.803
   46    HB2  MET   7           HB2      MET   7   8.587  -3.897   3.172
   47    HB3  MET   7           HB3      MET   7   7.155  -3.432   4.111
   48    HG2  MET   7           HG2      MET   7   7.726  -2.230   1.386
   49    HG3  MET   7           HG3      MET   7   6.875  -3.767   1.576
   50    HE1  MET   7           HE1      MET   7   5.043  -2.659   0.096
   51    HE2  MET   7           HE2      MET   7   4.141  -1.192   0.560
   52    HE3  MET   7           HE3      MET   7   5.870  -1.084   0.141
   53    H    ASN   8           H        ASN   8   7.888  -0.555   5.884
   54    HA   ASN   8           HA       ASN   8   9.022  -2.516   7.856
   55    HB2  ASN   8           HB2      ASN   8   8.764   0.488   8.107
   56    HB3  ASN   8           HB3      ASN   8   8.784  -0.580   9.518
   57   HD21  ASN   8          HD21      ASN   8  10.740  -0.129  10.445
   58   HD22  ASN   8          HD22      ASN   8  12.252  -0.483   9.614
   59    H    LEU   9           H        LEU   9   7.781  -3.089   9.570
   60    HA   LEU   9           HA       LEU   9   4.955  -3.385   9.213
   61    HB2  LEU   9           HB2      LEU   9   6.718  -3.529  11.696
   62    HB3  LEU   9           HB3      LEU   9   5.053  -4.100  11.633
   63    HG   LEU   9           HG       LEU   9   7.292  -5.214   9.881
   64   HD11  LEU   9          HD11      LEU   9   6.152  -6.336  12.468
   65   HD12  LEU   9          HD12      LEU   9   7.373  -7.103  11.422
   66   HD13  LEU   9          HD13      LEU   9   7.757  -5.597  12.260
   67   HD21  LEU   9          HD21      LEU   9   5.077  -5.612   8.913
   68   HD22  LEU   9          HD22      LEU   9   5.701  -7.119   9.596
   69   HD23  LEU   9          HD23      LEU   9   4.467  -6.197  10.477
   70    H    VAL  10           H        VAL  10   3.226  -2.175  10.038
   71    HA   VAL  10           HA       VAL  10   3.899   0.182  11.716
   72    HB   VAL  10           HB       VAL  10   2.387   1.683  10.600
   73   HG11  VAL  10          HG11      VAL  10   4.407   0.633   8.585
   74   HG12  VAL  10          HG12      VAL  10   3.742   2.278   8.706
   75   HG13  VAL  10          HG13      VAL  10   4.799   1.658   9.981
   76   HG21  VAL  10          HG21      VAL  10   0.777   0.216   9.553
   77   HG22  VAL  10          HG22      VAL  10   1.506   1.248   8.325
   78   HG23  VAL  10          HG23      VAL  10   2.018  -0.450   8.459
   79    H    THR  11           H        THR  11   2.368   0.884  13.120
   80    HA   THR  11           HA       THR  11  -0.194  -0.455  13.511
   81    HB   THR  11           HB       THR  11   1.154  -2.367  13.956
   82    HG1  THR  11           HG1      THR  11   0.203  -1.113  16.278
   83   HG21  THR  11          HG21      THR  11   2.607  -0.757  16.110
   84   HG22  THR  11          HG22      THR  11   2.751  -2.500  15.815
   85   HG23  THR  11          HG23      THR  11   3.312  -1.357  14.594
   86    H    ALA  12           H        ALA  12   0.160   2.155  13.396
   87    HA   ALA  12           HA       ALA  12  -0.611   4.058  14.358
   88    HB1  ALA  12           HB1      ALA  12  -1.297   2.417  16.826
   89    HB2  ALA  12           HB2      ALA  12  -1.957   3.986  16.343
   90    HB3  ALA  12           HB3      ALA  12  -2.317   2.548  15.374
   91    H    GLN  13           H        GLN  13   1.692   2.338  16.427
   92    HA   GLN  13           HA       GLN  13   2.885   4.860  17.398
   93    HB2  GLN  13           HB2      GLN  13   3.689   1.919  17.377
   94    HB3  GLN  13           HB3      GLN  13   4.881   3.180  17.671
   95    HG2  GLN  13           HG2      GLN  13   4.395   2.669  19.789
   96    HG3  GLN  13           HG3      GLN  13   3.325   4.067  19.526
   97   HE21  GLN  13          HE21      GLN  13   1.028   3.366  18.686
   98   HE22  GLN  13          HE22      GLN  13   0.491   1.767  19.212
   99    H    GLY  14           H        GLY  14   2.522   3.689  14.303
  100    HA2  GLY  14           HA2      GLY  14   3.375   4.612  12.339
  101    HA3  GLY  14           HA3      GLY  14   4.682   5.393  13.283
  102    H    VAL  15           H        VAL  15   6.404   4.732  12.234
  103    HA   VAL  15           HA       VAL  15   6.758   2.233  10.906
  104    HB   VAL  15           HB       VAL  15   8.793   4.375  11.651
  105   HG11  VAL  15          HG11      VAL  15   9.005   2.005   9.752
  106   HG12  VAL  15          HG12      VAL  15  10.173   3.346   9.813
  107   HG13  VAL  15          HG13      VAL  15   9.990   2.271  11.203
  108   HG21  VAL  15          HG21      VAL  15   7.053   5.228  10.158
  109   HG22  VAL  15          HG22      VAL  15   8.556   5.014   9.254
  110   HG23  VAL  15          HG23      VAL  15   7.250   3.822   9.086
  111    H    GLY  16           H        GLY  16   7.180   0.363  11.707
  112    HA2  GLY  16           HA2      GLY  16   8.480  -0.050  14.355
  113    HA3  GLY  16           HA3      GLY  16   7.524  -1.196  13.363
  114    H    GLN  17           H        GLN  17   8.726  -2.864  13.158
  115    HA   GLN  17           HA       GLN  17  11.580  -2.771  12.576
  116    HB2  GLN  17           HB2      GLN  17   9.962  -4.553  13.916
  117    HB3  GLN  17           HB3      GLN  17   9.969  -5.297  12.309
  118    HG2  GLN  17           HG2      GLN  17  12.487  -5.217  12.355
  119    HG3  GLN  17           HG3      GLN  17  12.352  -4.551  14.008
  120   HE21  GLN  17          HE21      GLN  17  12.236  -7.481  12.059
  121   HE22  GLN  17          HE22      GLN  17  12.014  -8.551  13.464
  122    H    SER  18           H        SER  18  12.564  -3.453  10.694
  123    HA   SER  18           HA       SER  18  10.943  -3.334   8.240
  124    HB2  SER  18           HB2      SER  18  13.162  -2.120   8.550
  125    HB3  SER  18           HB3      SER  18  13.924  -3.718   8.482
  126    HG   SER  18           HG       SER  18  12.376  -2.300   6.560
  127    H    ILE  19           H        ILE  19  10.632  -4.988   6.881
  128    HA   ILE  19           HA       ILE  19  11.348  -7.772   7.780
  129    HB   ILE  19           HB       ILE  19   9.000  -8.340   7.109
  130   HG12  ILE  19          HG12      ILE  19   8.122  -5.503   7.555
  131   HG13  ILE  19          HG13      ILE  19   8.768  -5.918   5.954
  132   HG21  ILE  19          HG21      ILE  19   9.264  -6.498   9.501
  133   HG22  ILE  19          HG22      ILE  19   8.019  -7.742   9.236
  134   HG23  ILE  19          HG23      ILE  19   9.710  -8.214   9.443
  135   HD11  ILE  19          HD11      ILE  19   6.480  -7.390   7.306
  136   HD12  ILE  19          HD12      ILE  19   6.347  -6.204   5.985
  137   HD13  ILE  19          HD13      ILE  19   7.186  -7.744   5.713
  138    H    GLY  20           H        GLY  20  11.687  -5.711   5.258
  139    HA2  GLY  20           HA2      GLY  20  12.615  -7.231   3.243
  140    HA3  GLY  20           HA3      GLY  20  10.880  -7.493   3.066
  141    H    THR  21           H        THR  21  12.299  -6.290   1.004
  142    HA   THR  21           HA       THR  21  11.007  -3.588   1.046
  143    HB   THR  21           HB       THR  21  12.338  -2.821  -0.683
  144    HG1  THR  21           HG1      THR  21  13.233  -5.488  -1.066
  145   HG21  THR  21          HG21      THR  21  14.342  -4.564   0.789
  146   HG22  THR  21          HG22      THR  21  14.629  -3.043  -0.072
  147   HG23  THR  21          HG23      THR  21  13.679  -3.045   1.424
  148    H    VAL  22           H        VAL  22  10.050  -3.139  -1.167
  149    HA   VAL  22           HA       VAL  22   9.435  -5.616  -2.674
  150    HB   VAL  22           HB       VAL  22   7.552  -3.207  -2.705
  151   HG11  VAL  22          HG11      VAL  22   7.615  -5.912  -4.111
  152   HG12  VAL  22          HG12      VAL  22   6.226  -4.882  -4.128
  153   HG13  VAL  22          HG13      VAL  22   7.713  -4.316  -4.895
  154   HG21  VAL  22          HG21      VAL  22   7.225  -4.576  -0.629
  155   HG22  VAL  22          HG22      VAL  22   5.859  -4.715  -1.741
  156   HG23  VAL  22          HG23      VAL  22   7.053  -6.023  -1.656
  157    H    VAL  23           H        VAL  23  10.355  -5.521  -4.651
  158    HA   VAL  23           HA       VAL  23  11.659  -2.960  -5.369
  159    HB   VAL  23           HB       VAL  23  12.916  -5.000  -5.478
  160   HG11  VAL  23          HG11      VAL  23  11.310  -5.843  -7.847
  161   HG12  VAL  23          HG12      VAL  23  12.913  -6.474  -7.415
  162   HG13  VAL  23          HG13      VAL  23  11.598  -6.681  -6.275
  163   HG21  VAL  23          HG21      VAL  23  13.566  -2.930  -6.715
  164   HG22  VAL  23          HG22      VAL  23  14.129  -4.385  -7.549
  165   HG23  VAL  23          HG23      VAL  23  12.692  -3.526  -8.144
  166    H    ILE  24           H        ILE  24  10.903  -1.552  -6.689
  167    HA   ILE  24           HA       ILE  24   8.528  -2.231  -8.407
  168    HB   ILE  24           HB       ILE  24   9.579   0.497  -7.540
  169   HG12  ILE  24          HG12      ILE  24   7.222  -1.145  -6.541
  170   HG13  ILE  24          HG13      ILE  24   8.436  -0.581  -5.540
  171   HG21  ILE  24          HG21      ILE  24   7.011  -0.280  -9.007
  172   HG22  ILE  24          HG22      ILE  24   7.598   1.371  -8.691
  173   HG23  ILE  24          HG23      ILE  24   8.450   0.359  -9.827
  174   HD11  ILE  24          HD11      ILE  24   6.351   1.146  -6.842
  175   HD12  ILE  24          HD12      ILE  24   6.677   0.832  -5.146
  176   HD13  ILE  24          HD13      ILE  24   7.836   1.798  -6.078
  177    H    ASP  25           H        ASP  25   9.068  -2.757 -10.402
  178    HA   ASP  25           HA       ASP  25  11.303  -1.339 -11.787
  179    HB2  ASP  25           HB2      ASP  25  11.947  -3.517 -11.438
  180    HB3  ASP  25           HB3      ASP  25  10.373  -4.202 -11.916
  181    H    GLU  26           H        GLU  26  10.447   0.148 -13.017
  182    HA   GLU  26           HA       GLU  26   7.643  -0.020 -13.865
  183    HB2  GLU  26           HB2      GLU  26   7.861   2.219 -14.720
  184    HB3  GLU  26           HB3      GLU  26   8.341   2.059 -13.025
  185    HG2  GLU  26           HG2      GLU  26   9.726   3.647 -14.108
  186    HG3  GLU  26           HG3      GLU  26  10.717   2.268 -13.688
  187    H    THR  27           H        THR  27   6.696   0.016 -15.924
  188    HA   THR  27           HA       THR  27   8.331  -0.131 -18.332
  189    HB   THR  27           HB       THR  27   8.767  -2.342 -17.450
  190    HG1  THR  27           HG1      THR  27   8.326  -3.354 -19.275
  191   HG21  THR  27          HG21      THR  27   5.756  -2.705 -17.333
  192   HG22  THR  27          HG22      THR  27   6.916  -4.054 -17.352
  193   HG23  THR  27          HG23      THR  27   6.946  -2.893 -16.030
  194    H    GLU  28           H        GLU  28   6.746  -1.022 -20.159
  195    HA   GLU  28           HA       GLU  28   4.632   0.942 -20.411
  196    HB2  GLU  28           HB2      GLU  28   5.927   0.065 -22.298
  197    HB3  GLU  28           HB3      GLU  28   5.270  -1.563 -22.013
  198    HG2  GLU  28           HG2      GLU  28   3.022  -0.788 -22.635
  199    HG3  GLU  28           HG3      GLU  28   3.584   0.892 -22.710
  200    H    GLY  29           H        GLY  29   4.728  -2.366 -19.237
  201    HA2  GLY  29           HA2      GLY  29   1.807  -2.444 -18.786
  202    HA3  GLY  29           HA3      GLY  29   2.970  -3.741 -18.350
  203    H    GLY  30           H        GLY  30   3.927  -0.691 -17.473
  204    HA2  GLY  30           HA2      GLY  30   3.801   0.757 -15.706
  205    HA3  GLY  30           HA3      GLY  30   2.475  -0.166 -15.023
  206    H    LEU  31           H        LEU  31   3.065  -0.220 -12.990
  207    HA   LEU  31           HA       LEU  31   5.881  -0.460 -12.220
  208    HB2  LEU  31           HB2      LEU  31   3.317  -0.165 -10.597
  209    HB3  LEU  31           HB3      LEU  31   4.959  -0.041  -9.939
  210    HG   LEU  31           HG       LEU  31   3.641   1.829 -11.969
  211   HD11  LEU  31          HD11      LEU  31   4.514   2.267  -9.083
  212   HD12  LEU  31          HD12      LEU  31   3.814   3.490 -10.165
  213   HD13  LEU  31          HD13      LEU  31   2.842   2.093  -9.673
  214   HD21  LEU  31          HD21      LEU  31   6.001   1.740 -12.541
  215   HD22  LEU  31          HD22      LEU  31   5.668   3.253 -11.705
  216   HD23  LEU  31          HD23      LEU  31   6.468   1.933 -10.833
  217    H    LYS  32           H        LYS  32   6.632  -2.494 -12.685
  218    HA   LYS  32           HA       LYS  32   5.260  -4.909 -11.897
  219    HB2  LYS  32           HB2      LYS  32   7.001  -4.554 -13.774
  220    HB3  LYS  32           HB3      LYS  32   8.203  -4.646 -12.491
  221    HG2  LYS  32           HG2      LYS  32   6.879  -6.912 -11.882
  222    HG3  LYS  32           HG3      LYS  32   6.340  -6.741 -13.568
  223    HD2  LYS  32           HD2      LYS  32   8.247  -8.116 -13.650
  224    HD3  LYS  32           HD3      LYS  32   8.763  -6.515 -14.229
  225    HE2  LYS  32           HE2      LYS  32   9.512  -6.079 -11.782
  226    HE3  LYS  32           HE3      LYS  32   9.254  -7.821 -11.513
  227    HZ1  LYS  32           HZ1      LYS  32  11.154  -6.500 -13.393
  228    HZ2  LYS  32           HZ2      LYS  32  11.551  -7.417 -12.095
  229    HZ3  LYS  32           HZ3      LYS  32  10.872  -8.134 -13.411
  230    H    PHE  33           H        PHE  33   4.903  -5.343  -9.867
  231    HA   PHE  33           HA       PHE  33   6.598  -4.251  -7.701
  232    HB2  PHE  33           HB2      PHE  33   4.008  -3.982  -8.142
  233    HB3  PHE  33           HB3      PHE  33   3.879  -5.605  -7.449
  234    HD1  PHE  33           HD1      PHE  33   5.578  -2.376  -6.815
  235    HD2  PHE  33           HD2      PHE  33   3.265  -5.574  -5.143
  236    HE1  PHE  33           HE1      PHE  33   5.703  -1.279  -4.580
  237    HE2  PHE  33           HE2      PHE  33   3.283  -4.427  -2.935
  238    HZ   PHE  33           HZ       PHE  33   4.554  -2.332  -2.624
  239    H    THR  34           H        THR  34   8.330  -5.772  -7.045
  240    HA   THR  34           HA       THR  34   7.474  -8.661  -7.063
  241    HB   THR  34           HB       THR  34  10.278  -7.720  -7.454
  242    HG1  THR  34           HG1      THR  34   8.969  -7.023  -9.108
  243   HG21  THR  34          HG21      THR  34   8.880 -10.397  -7.784
  244   HG22  THR  34          HG22      THR  34  10.518 -10.028  -8.365
  245   HG23  THR  34          HG23      THR  34  10.157  -9.983  -6.631
  246    HA   PRO  35           HA       PRO  35   8.273  -7.845  -2.680
  247    HB2  PRO  35           HB2      PRO  35   6.834  -9.940  -1.650
  248    HB3  PRO  35           HB3      PRO  35   6.051  -8.458  -2.307
  249    HG2  PRO  35           HG2      PRO  35   6.484 -11.137  -3.635
  250    HG3  PRO  35           HG3      PRO  35   4.999 -10.131  -3.629
  251    HD2  PRO  35           HD2      PRO  35   6.814 -10.186  -5.684
  252    HD3  PRO  35           HD3      PRO  35   5.866  -8.719  -5.274
  253    H    HIS  36           H        HIS  36   9.688  -8.693  -1.146
  254    HA   HIS  36           HA       HIS  36  10.470 -11.546  -1.387
  255    HB2  HIS  36           HB2      HIS  36  12.769 -11.143  -1.509
  256    HB3  HIS  36           HB3      HIS  36  12.060 -10.043  -2.691
  257    HD1  HIS  36           HD1      HIS  36  14.532 -10.038  -0.012
  258    HD2  HIS  36           HD2      HIS  36  11.756  -7.356  -1.648
  259    HE1  HIS  36           HE1      HIS  36  15.304  -7.715   0.744
  260    H    LEU  37           H        LEU  37   8.766 -10.035   0.439
  261    HA   LEU  37           HA       LEU  37  10.117  -9.757   3.063
  262    HB2  LEU  37           HB2      LEU  37   7.147  -9.661   2.493
  263    HB3  LEU  37           HB3      LEU  37   8.059  -8.966   3.844
  264    HG   LEU  37           HG       LEU  37   9.170  -7.656   1.644
  265   HD11  LEU  37          HD11      LEU  37   6.159  -7.949   1.207
  266   HD12  LEU  37          HD12      LEU  37   7.234  -6.818   0.371
  267   HD13  LEU  37          HD13      LEU  37   7.442  -8.559   0.136
  268   HD21  LEU  37          HD21      LEU  37   8.635  -6.605   3.739
  269   HD22  LEU  37          HD22      LEU  37   7.819  -5.745   2.415
  270   HD23  LEU  37          HD23      LEU  37   6.883  -6.826   3.466
  271    H    LYS  38           H        LYS  38   9.516 -10.548   4.910
  272    HA   LYS  38           HA       LYS  38   7.855 -12.935   4.931
  273    HB2  LYS  38           HB2      LYS  38   9.365 -14.186   6.447
  274    HB3  LYS  38           HB3      LYS  38   9.984 -14.040   4.828
  275    HG2  LYS  38           HG2      LYS  38  10.929 -11.839   6.595
  276    HG3  LYS  38           HG3      LYS  38  11.334 -13.456   7.208
  277    HD2  LYS  38           HD2      LYS  38  13.119 -12.527   5.794
  278    HD3  LYS  38           HD3      LYS  38  12.467 -14.042   5.152
  279    HE2  LYS  38           HE2      LYS  38  11.023 -12.690   3.571
  280    HE3  LYS  38           HE3      LYS  38  11.756 -11.227   4.192
  281    HZ1  LYS  38           HZ1      LYS  38  13.169 -13.439   2.790
  282    HZ2  LYS  38           HZ2      LYS  38  12.885 -11.920   2.202
  283    HZ3  LYS  38           HZ3      LYS  38  13.955 -12.180   3.455
  284    H    ALA  39           H        ALA  39   7.380 -13.501   7.034
  285    HA   ALA  39           HA       ALA  39   6.794 -13.296   9.292
  286    HB1  ALA  39           HB1      ALA  39   7.825 -10.428   9.287
  287    HB2  ALA  39           HB2      ALA  39   7.537 -11.483  10.676
  288    HB3  ALA  39           HB3      ALA  39   8.869 -11.844   9.554
  289    H    LEU  40           H        LEU  40   5.125 -12.597   6.923
  290    HA   LEU  40           HA       LEU  40   3.126 -10.820   8.239
  291    HB2  LEU  40           HB2      LEU  40   2.072 -11.416   5.695
  292    HB3  LEU  40           HB3      LEU  40   2.629  -9.951   6.366
  293    HG   LEU  40           HG       LEU  40   4.355 -12.030   4.896
  294   HD11  LEU  40          HD11      LEU  40   3.324  -9.488   3.572
  295   HD12  LEU  40          HD12      LEU  40   4.316 -10.789   2.861
  296   HD13  LEU  40          HD13      LEU  40   2.628 -11.088   3.351
  297   HD21  LEU  40          HD21      LEU  40   5.702 -10.230   6.112
  298   HD22  LEU  40          HD22      LEU  40   5.957 -10.492   4.369
  299   HD23  LEU  40          HD23      LEU  40   5.004  -9.086   4.945
  300    HA   PRO  41           HA       PRO  41   0.561 -14.077   8.678
  301    HB2  PRO  41           HB2      PRO  41  -2.053 -13.087   8.107
  302    HB3  PRO  41           HB3      PRO  41  -1.198 -12.963   9.667
  303    HG2  PRO  41           HG2      PRO  41  -1.265 -11.021   7.398
  304    HG3  PRO  41           HG3      PRO  41  -1.484 -10.679   9.142
  305    HD2  PRO  41           HD2      PRO  41   0.917 -10.250   8.008
  306    HD3  PRO  41           HD3      PRO  41   0.759 -11.107   9.586
  307    HA   PRO  42           HA       PRO  42   1.444 -15.452   4.926
  308    HB2  PRO  42           HB2      PRO  42   1.394 -18.113   5.260
  309    HB3  PRO  42           HB3      PRO  42   2.057 -17.077   6.545
  310    HG2  PRO  42           HG2      PRO  42  -0.788 -18.081   6.344
  311    HG3  PRO  42           HG3      PRO  42   0.374 -18.413   7.663
  312    HD2  PRO  42           HD2      PRO  42  -1.294 -16.269   7.848
  313    HD3  PRO  42           HD3      PRO  42   0.417 -16.158   8.376
  314    H    GLY  43           H        GLY  43  -1.282 -14.595   4.702
  315    HA2  GLY  43           HA2      GLY  43  -2.618 -16.444   2.769
  316    HA3  GLY  43           HA3      GLY  43  -3.379 -15.150   3.700
  317    H    GLU  44           H        GLU  44  -4.016 -13.720   2.542
  318    HA   GLU  44           HA       GLU  44  -2.589 -12.641   0.139
  319    HB2  GLU  44           HB2      GLU  44  -5.578 -12.631   0.796
  320    HB3  GLU  44           HB3      GLU  44  -4.873 -12.058  -0.706
  321    HG2  GLU  44           HG2      GLU  44  -4.547 -14.201  -1.560
  322    HG3  GLU  44           HG3      GLU  44  -4.480 -14.973   0.038
  323    H    HIS  45           H        HIS  45  -2.369 -10.367   0.003
  324    HA   HIS  45           HA       HIS  45  -3.777  -8.659   2.013
  325    HB2  HIS  45           HB2      HIS  45  -0.743  -8.799   1.439
  326    HB3  HIS  45           HB3      HIS  45  -1.504  -7.350   2.116
  327    HD1  HIS  45           HD1      HIS  45  -3.036  -8.070   4.480
  328    HD2  HIS  45           HD2      HIS  45  -0.516 -10.902   2.766
  329    HE1  HIS  45           HE1      HIS  45  -2.980 -10.044   6.105
  330    HE2  HIS  45           HE2      HIS  45  -1.301 -11.763   5.090
  331    H    GLY  46           H        GLY  46  -4.513  -6.657   1.250
  332    HA2  GLY  46           HA2      GLY  46  -4.439  -6.029  -1.498
  333    HA3  GLY  46           HA3      GLY  46  -4.841  -4.911  -0.175
  334    H    PHE  47           H        PHE  47  -3.394  -4.043  -2.441
  335    HA   PHE  47           HA       PHE  47  -1.188  -2.800  -0.963
  336    HB2  PHE  47           HB2      PHE  47   0.343  -4.115  -1.927
  337    HB3  PHE  47           HB3      PHE  47  -0.782  -4.728  -3.136
  338    HD1  PHE  47           HD1      PHE  47   1.327  -1.656  -2.453
  339    HD2  PHE  47           HD2      PHE  47  -0.214  -4.470  -5.307
  340    HE1  PHE  47           HE1      PHE  47   2.787  -0.646  -4.282
  341    HE2  PHE  47           HE2      PHE  47   1.133  -3.394  -7.114
  342    HZ   PHE  47           HZ       PHE  47   2.527  -1.422  -6.595
  343    H    HIS  48           H        HIS  48  -1.612  -0.663  -1.103
  344    HA   HIS  48           HA       HIS  48  -2.364   0.329  -3.871
  345    HB2  HIS  48           HB2      HIS  48  -2.874   1.993  -1.396
  346    HB3  HIS  48           HB3      HIS  48  -3.538   2.197  -2.993
  347    HD2  HIS  48           HD2      HIS  48  -4.980  -0.471  -3.529
  348    HE1  HIS  48           HE1      HIS  48  -6.850  -0.092   0.267
  349    HE2  HIS  48           HE2      HIS  48  -6.940  -1.198  -2.076
  350    H    ILE  49           H        ILE  49  -1.746   2.488  -4.393
  351    HA   ILE  49           HA       ILE  49   0.713   3.614  -3.108
  352    HB   ILE  49           HB       ILE  49  -0.739   4.406  -5.640
  353   HG12  ILE  49          HG12      ILE  49   2.169   3.543  -5.323
  354   HG13  ILE  49          HG13      ILE  49   0.879   2.357  -5.591
  355   HG21  ILE  49          HG21      ILE  49   1.696   5.742  -4.328
  356   HG22  ILE  49          HG22      ILE  49   1.047   6.146  -5.929
  357   HG23  ILE  49          HG23      ILE  49   0.096   6.482  -4.509
  358   HD11  ILE  49          HD11      ILE  49   1.573   4.621  -7.495
  359   HD12  ILE  49          HD12      ILE  49   1.922   2.891  -7.691
  360   HD13  ILE  49          HD13      ILE  49   0.239   3.457  -7.688
  361    H    HIS  50           H        HIS  50   0.638   5.625  -2.222
  362    HA   HIS  50           HA       HIS  50  -1.997   6.665  -1.308
  363    HB2  HIS  50           HB2      HIS  50   0.394   5.818   0.359
  364    HB3  HIS  50           HB3      HIS  50  -0.620   7.164   0.861
  365    HD1  HIS  50           HD1      HIS  50  -2.257   6.467   2.571
  366    HD2  HIS  50           HD2      HIS  50  -1.734   3.628  -0.449
  367    HE1  HIS  50           HE1      HIS  50  -4.003   4.628   3.033
  368    H    ALA  51           H        ALA  51  -1.853   8.958  -0.747
  369    HA   ALA  51           HA       ALA  51  -0.974  10.161  -3.122
  370    HB1  ALA  51           HB1      ALA  51  -1.859  11.514  -0.534
  371    HB2  ALA  51           HB2      ALA  51  -1.897  12.226  -2.155
  372    HB3  ALA  51           HB3      ALA  51  -2.952  10.859  -1.769
  373    H    ASN  52           H        ASN  52   0.726  10.145  -0.127
  374    HA   ASN  52           HA       ASN  52   2.881  11.946  -1.184
  375    HB2  ASN  52           HB2      ASN  52   1.463  12.108   1.505
  376    HB3  ASN  52           HB3      ASN  52   2.925  13.006   1.107
  377   HD21  ASN  52          HD21      ASN  52  -0.474  13.145   1.054
  378   HD22  ASN  52          HD22      ASN  52  -0.606  14.521  -0.036
  379    H    GLY  53           H        GLY  53   4.738  11.962   0.595
  380    HA2  GLY  53           HA2      GLY  53   5.427   9.109   1.228
  381    HA3  GLY  53           HA3      GLY  53   6.579  10.383   0.806
  382    H    SER  54           H        SER  54   5.404   8.686   3.261
  383    HA   SER  54           HA       SER  54   7.116   8.964   5.132
  384    HB2  SER  54           HB2      SER  54   5.605  11.532   5.497
  385    HB3  SER  54           HB3      SER  54   6.402  10.718   6.840
  386    HG   SER  54           HG       SER  54   7.531  12.322   5.169
  387    H    CYS  55           H        CYS  55   6.361   7.005   5.833
  388    HA   CYS  55           HA       CYS  55   3.799   6.319   6.657
  389    HB2  CYS  55           HB2      CYS  55   6.526   5.216   7.387
  390    HB3  CYS  55           HB3      CYS  55   5.005   4.341   7.520
  391    H    GLN  56           H        GLN  56   4.744   8.780   8.114
  392    HA   GLN  56           HA       GLN  56   4.928   7.973  10.955
  393    HB2  GLN  56           HB2      GLN  56   5.449  10.538   9.419
  394    HB3  GLN  56           HB3      GLN  56   5.229  10.554  11.164
  395    HG2  GLN  56           HG2      GLN  56   7.590  10.493  10.681
  396    HG3  GLN  56           HG3      GLN  56   7.096   9.014  11.492
  397   HE21  GLN  56          HE21      GLN  56   8.882   7.731  10.720
  398   HE22  GLN  56          HE22      GLN  56   8.973   7.330   9.005
  399    HA   PRO  57           HA       PRO  57   0.567   9.286  11.417
  400    HB2  PRO  57           HB2      PRO  57   0.165   8.543  13.989
  401    HB3  PRO  57           HB3      PRO  57   0.379   7.325  12.702
  402    HG2  PRO  57           HG2      PRO  57   2.472   8.369  14.629
  403    HG3  PRO  57           HG3      PRO  57   2.092   6.668  14.219
  404    HD2  PRO  57           HD2      PRO  57   4.122   8.055  13.023
  405    HD3  PRO  57           HD3      PRO  57   3.168   6.809  12.153
  406    H    ALA  58           H        ALA  58  -0.554  11.018  12.508
  407    HA   ALA  58           HA       ALA  58   1.072  12.802  14.244
  408    HB1  ALA  58           HB1      ALA  58  -1.782  13.113  13.236
  409    HB2  ALA  58           HB2      ALA  58  -0.805  14.349  14.046
  410    HB3  ALA  58           HB3      ALA  58  -0.353  13.789  12.428
  411    H    ILE  59           H        ILE  59  -0.364  13.655  16.138
  412    HA   ILE  59           HA       ILE  59  -1.601  11.387  17.660
  413    HB   ILE  59           HB       ILE  59  -0.301  13.884  18.808
  414   HG12  ILE  59          HG12      ILE  59   1.533  12.617  17.877
  415   HG13  ILE  59          HG13      ILE  59   1.553  12.494  19.623
  416   HG21  ILE  59          HG21      ILE  59  -1.341  11.340  20.130
  417   HG22  ILE  59          HG22      ILE  59  -0.427  12.617  20.961
  418   HG23  ILE  59          HG23      ILE  59  -2.007  12.978  20.271
  419   HD11  ILE  59          HD11      ILE  59   0.576  10.328  17.710
  420   HD12  ILE  59          HD12      ILE  59   2.109  10.350  18.592
  421   HD13  ILE  59          HD13      ILE  59   0.589  10.199  19.487
  422    H    LYS  60           H        LYS  60  -3.678  11.732  18.351
  423    HA   LYS  60           HA       LYS  60  -4.823  14.475  17.953
  424    HB2  LYS  60           HB2      LYS  60  -7.012  13.494  17.670
  425    HB3  LYS  60           HB3      LYS  60  -5.881  13.024  16.418
  426    HG2  LYS  60           HG2      LYS  60  -5.628  10.779  17.383
  427    HG3  LYS  60           HG3      LYS  60  -6.721  11.184  18.704
  428    HD2  LYS  60           HD2      LYS  60  -7.444  11.069  15.743
  429    HD3  LYS  60           HD3      LYS  60  -7.870   9.876  16.980
  430    HE2  LYS  60           HE2      LYS  60  -9.163  11.666  18.201
  431    HE3  LYS  60           HE3      LYS  60  -8.816  12.781  16.878
  432    HZ1  LYS  60           HZ1      LYS  60 -10.459  10.326  16.735
  433    HZ2  LYS  60           HZ2      LYS  60 -10.951  11.884  16.606
  434    HZ3  LYS  60           HZ3      LYS  60 -10.061  11.232  15.406
  435    H    ASP  61           H        ASP  61  -7.032  12.828  19.700
  436    HA   ASP  61           HA       ASP  61  -6.897  14.450  21.948
  437    HB2  ASP  61           HB2      ASP  61  -8.879  13.266  21.182
  438    HB3  ASP  61           HB3      ASP  61  -8.126  11.700  21.504
  439    H    GLY  62           H        GLY  62  -5.274  11.335  21.550
  440    HA2  GLY  62           HA2      GLY  62  -3.424  11.436  23.645
  441    HA3  GLY  62           HA3      GLY  62  -4.901  10.833  24.387
  442    H    GLN  63           H        GLN  63  -3.450  10.340  21.192
  443    HA   GLN  63           HA       GLN  63  -2.722   7.673  21.120
  444    HB2  GLN  63           HB2      GLN  63  -4.752   6.606  20.105
  445    HB3  GLN  63           HB3      GLN  63  -4.833   6.906  21.821
  446    HG2  GLN  63           HG2      GLN  63  -6.173   9.075  21.196
  447    HG3  GLN  63           HG3      GLN  63  -6.335   8.337  19.605
  448   HE21  GLN  63          HE21      GLN  63  -8.112   8.780  22.347
  449   HE22  GLN  63          HE22      GLN  63  -8.952   7.244  22.361
  450    H    ALA  64           H        ALA  64  -2.633   6.868  18.834
  451    HA   ALA  64           HA       ALA  64  -1.839   9.232  17.229
  452    HB1  ALA  64           HB1      ALA  64  -0.638   6.463  17.541
  453    HB2  ALA  64           HB2      ALA  64   0.043   7.773  16.551
  454    HB3  ALA  64           HB3      ALA  64  -0.048   7.947  18.316
  455    H    VAL  65           H        VAL  65  -2.004   9.322  15.071
  456    HA   VAL  65           HA       VAL  65  -4.302   7.876  13.999
  457    HB   VAL  65           HB       VAL  65  -2.815  10.208  12.745
  458   HG11  VAL  65          HG11      VAL  65  -5.697   9.173  12.442
  459   HG12  VAL  65          HG12      VAL  65  -5.069  10.652  11.691
  460   HG13  VAL  65          HG13      VAL  65  -4.446   9.083  11.189
  461   HG21  VAL  65          HG21      VAL  65  -3.544  10.895  15.001
  462   HG22  VAL  65          HG22      VAL  65  -4.579  11.646  13.793
  463   HG23  VAL  65          HG23      VAL  65  -5.164  10.237  14.702
  464    H    ALA  66           H        ALA  66  -2.750   5.944  14.011
  465    HA   ALA  66           HA       ALA  66  -2.057   4.120  12.803
  466    HB1  ALA  66           HB1      ALA  66  -3.348   5.640  10.508
  467    HB2  ALA  66           HB2      ALA  66  -2.984   3.902  10.557
  468    HB3  ALA  66           HB3      ALA  66  -4.162   4.595  11.688
  469    H    ALA  67           H        ALA  67  -1.416   6.584  10.428
  470    HA   ALA  67           HA       ALA  67   1.297   6.880  10.203
  471    HB1  ALA  67           HB1      ALA  67   0.351   4.534   8.492
  472    HB2  ALA  67           HB2      ALA  67   1.859   5.430   8.227
  473    HB3  ALA  67           HB3      ALA  67   1.638   4.516   9.720
  474    H    GLU  68           H        GLU  68   1.009   8.924   9.312
  475    HA   GLU  68           HA       GLU  68  -1.539   9.360   7.822
  476    HB2  GLU  68           HB2      GLU  68  -1.389  10.120  10.194
  477    HB3  GLU  68           HB3      GLU  68  -0.035  11.169   9.759
  478    HG2  GLU  68           HG2      GLU  68  -1.553  12.383   8.154
  479    HG3  GLU  68           HG3      GLU  68  -2.887  11.353   8.689
  480    H    ALA  69           H        ALA  69   1.849  10.685   8.059
  481    HA   ALA  69           HA       ALA  69   1.329  12.738   6.148
  482    HB1  ALA  69           HB1      ALA  69   3.939  11.560   7.183
  483    HB2  ALA  69           HB2      ALA  69   3.795  13.072   6.256
  484    HB3  ALA  69           HB3      ALA  69   3.041  12.934   7.856
  485    H    ALA  70           H        ALA  70   2.015   9.444   5.564
  486    HA   ALA  70           HA       ALA  70   2.779   9.548   2.807
  487    HB1  ALA  70           HB1      ALA  70   1.290   7.489   4.499
  488    HB2  ALA  70           HB2      ALA  70   1.940   7.177   2.882
  489    HB3  ALA  70           HB3      ALA  70   3.044   7.551   4.218
  490    H    GLY  71           H        GLY  71  -0.225  10.441   4.270
  491    HA2  GLY  71           HA2      GLY  71  -2.083  11.340   3.091
  492    HA3  GLY  71           HA3      GLY  71  -1.587  10.503   1.620
  493    H    GLY  72           H        GLY  72  -4.177  10.423   2.328
  494    HA2  GLY  72           HA2      GLY  72  -4.832   7.719   3.352
  495    HA3  GLY  72           HA3      GLY  72  -5.916   8.859   2.521
  496    H    HIS  73           H        HIS  73  -6.579   6.932   1.353
  497    HA   HIS  73           HA       HIS  73  -5.163   5.685  -0.797
  498    HB2  HIS  73           HB2      HIS  73  -7.983   6.704  -0.423
  499    HB3  HIS  73           HB3      HIS  73  -7.497   6.071  -1.959
  500    HD2  HIS  73           HD2      HIS  73  -6.909   4.687   1.653
  501    HE1  HIS  73           HE1      HIS  73  -9.170   1.739  -0.388
  502    HE2  HIS  73           HE2      HIS  73  -8.039   2.375   1.805
  503    H    LEU  74           H        LEU  74  -4.561   6.403  -2.787
  504    HA   LEU  74           HA       LEU  74  -3.577   9.017  -2.957
  505    HB2  LEU  74           HB2      LEU  74  -2.795   6.744  -3.920
  506    HB3  LEU  74           HB3      LEU  74  -3.775   7.071  -5.300
  507    HG   LEU  74           HG       LEU  74  -1.241   8.287  -4.312
  508   HD11  LEU  74          HD11      LEU  74  -2.133   7.820  -7.174
  509   HD12  LEU  74          HD12      LEU  74  -0.481   7.960  -6.511
  510   HD13  LEU  74          HD13      LEU  74  -1.484   6.535  -6.154
  511   HD21  LEU  74          HD21      LEU  74  -2.566  10.351  -4.598
  512   HD22  LEU  74          HD22      LEU  74  -1.234  10.152  -5.747
  513   HD23  LEU  74          HD23      LEU  74  -2.915   9.865  -6.277
  514    H    ASP  75           H        ASP  75  -5.529  10.189  -2.570
  515    HA   ASP  75           HA       ASP  75  -7.340  10.695  -4.866
  516    HB2  ASP  75           HB2      ASP  75  -7.937  10.636  -1.880
  517    HB3  ASP  75           HB3      ASP  75  -9.105  10.847  -3.180
  518    HA   PRO  76           HA       PRO  76  -5.933  14.978  -3.429
  519    HB2  PRO  76           HB2      PRO  76  -4.861  15.873  -5.789
  520    HB3  PRO  76           HB3      PRO  76  -3.901  15.023  -4.541
  521    HG2  PRO  76           HG2      PRO  76  -5.132  13.858  -7.054
  522    HG3  PRO  76           HG3      PRO  76  -3.475  13.623  -6.415
  523    HD2  PRO  76           HD2      PRO  76  -5.480  11.809  -5.983
  524    HD3  PRO  76           HD3      PRO  76  -4.222  12.137  -4.753
  525    H    GLN  77           H        GLN  77  -7.201  13.634  -6.457
  526    HA   GLN  77           HA       GLN  77  -9.833  14.708  -5.970
  527    HB2  GLN  77           HB2      GLN  77  -8.458  15.114  -8.679
  528    HB3  GLN  77           HB3      GLN  77 -10.152  15.443  -8.318
  529    HG2  GLN  77           HG2      GLN  77  -9.426  17.247  -6.723
  530    HG3  GLN  77           HG3      GLN  77  -7.746  16.951  -7.205
  531   HE21  GLN  77          HE21      GLN  77  -7.345  17.100  -9.733
  532   HE22  GLN  77          HE22      GLN  77  -8.239  18.355 -10.545
  533    H    ASN  78           H        ASN  78 -11.312  13.138  -6.853
  534    HA   ASN  78           HA       ASN  78 -11.226  11.588  -8.982
  535    HB2  ASN  78           HB2      ASN  78 -10.613   9.266  -8.373
  536    HB3  ASN  78           HB3      ASN  78  -9.270  10.335  -8.584
  537   HD21  ASN  78          HD21      ASN  78  -7.747   9.223  -7.263
  538   HD22  ASN  78          HD22      ASN  78  -8.067   8.820  -5.577
  539    H    THR  79           H        THR  79 -11.900  11.004  -5.572
  540    HA   THR  79           HA       THR  79 -14.730  10.726  -5.582
  541    HB   THR  79           HB       THR  79 -14.374   8.794  -7.026
  542    HG1  THR  79           HG1      THR  79 -15.839   7.833  -6.038
  543   HG21  THR  79          HG21      THR  79 -12.792   7.537  -4.752
  544   HG22  THR  79          HG22      THR  79 -13.355   6.738  -6.224
  545   HG23  THR  79          HG23      THR  79 -12.133   8.010  -6.335
  546    H    GLY  80           H        GLY  80 -11.614   9.737  -4.121
  547    HA2  GLY  80           HA2      GLY  80 -10.932  10.226  -1.937
  548    HA3  GLY  80           HA3      GLY  80 -12.588  10.717  -1.515
  549    H    LYS  81           H        LYS  81 -11.995   7.598  -2.993
  550    HA   LYS  81           HA       LYS  81 -12.146   6.056  -0.550
  551    HB2  LYS  81           HB2      LYS  81 -14.497   5.231  -0.865
  552    HB3  LYS  81           HB3      LYS  81 -14.310   6.885  -0.326
  553    HG2  LYS  81           HG2      LYS  81 -14.657   7.598  -2.783
  554    HG3  LYS  81           HG3      LYS  81 -15.219   5.955  -3.072
  555    HD2  LYS  81           HD2      LYS  81 -16.375   7.919  -1.034
  556    HD3  LYS  81           HD3      LYS  81 -17.019   7.635  -2.653
  557    HE2  LYS  81           HE2      LYS  81 -17.479   5.274  -2.098
  558    HE3  LYS  81           HE3      LYS  81 -16.812   5.492  -0.483
  559    HZ1  LYS  81           HZ1      LYS  81 -19.181   6.992  -1.486
  560    HZ2  LYS  81           HZ2      LYS  81 -19.269   5.606  -0.649
  561    HZ3  LYS  81           HZ3      LYS  81 -18.642   6.949   0.064
  562    H    HIS  82           H        HIS  82 -14.014   4.465  -2.965
  563    HA   HIS  82           HA       HIS  82 -11.706   3.148  -4.157
  564    HB2  HIS  82           HB2      HIS  82 -12.235   2.326  -1.596
  565    HB3  HIS  82           HB3      HIS  82 -13.294   1.246  -2.481
  566    HD2  HIS  82           HD2      HIS  82 -12.122  -0.926  -3.308
  567    HE1  HIS  82           HE1      HIS  82  -8.086   0.354  -3.392
  568    HE2  HIS  82           HE2      HIS  82  -9.652  -1.598  -3.766
  569    H    GLU  83           H        GLU  83 -12.080   1.801  -5.791
  570    HA   GLU  83           HA       GLU  83 -14.862   1.404  -6.762
  571    HB2  GLU  83           HB2      GLU  83 -13.825   0.882  -8.878
  572    HB3  GLU  83           HB3      GLU  83 -13.386   2.475  -8.310
  573    HG2  GLU  83           HG2      GLU  83 -11.183   2.030  -8.300
  574    HG3  GLU  83           HG3      GLU  83 -11.388   0.448  -7.527
  575    H    GLY  84           H        GLY  84 -13.147  -0.985  -8.237
  576    HA2  GLY  84           HA2      GLY  84 -12.504  -3.162  -7.317
  577    HA3  GLY  84           HA3      GLY  84 -13.864  -3.070  -6.192
  578    HA   PRO  85           HA       PRO  85 -16.170  -5.177  -9.371
  579    HB2  PRO  85           HB2      PRO  85 -18.771  -4.562  -8.812
  580    HB3  PRO  85           HB3      PRO  85 -17.758  -5.564  -7.730
  581    HG2  PRO  85           HG2      PRO  85 -18.351  -2.596  -7.503
  582    HG3  PRO  85           HG3      PRO  85 -18.438  -3.845  -6.221
  583    HD2  PRO  85           HD2      PRO  85 -16.253  -2.226  -6.541
  584    HD3  PRO  85           HD3      PRO  85 -16.097  -3.924  -6.004
  585    H    GLU  86           H        GLU  86 -16.802  -1.647  -9.080
  586    HA   GLU  86           HA       GLU  86 -17.167  -1.461 -12.019
  587    HB2  GLU  86           HB2      GLU  86 -19.013  -0.369  -9.856
  588    HB3  GLU  86           HB3      GLU  86 -18.948   0.318 -11.488
  589    HG2  GLU  86           HG2      GLU  86 -19.671  -1.731 -12.505
  590    HG3  GLU  86           HG3      GLU  86 -19.443  -2.644 -11.016
  591    H    GLY  87           H        GLY  87 -15.950   0.101 -12.842
  592    HA2  GLY  87           HA2      GLY  87 -13.756   0.878 -11.267
  593    HA3  GLY  87           HA3      GLY  87 -13.998   1.242 -12.984
  594    H    GLN  88           H        GLN  88 -15.252   2.359  -9.835
  595    HA   GLN  88           HA       GLN  88 -15.516   5.069 -10.889
  596    HB2  GLN  88           HB2      GLN  88 -17.128   3.685  -9.351
  597    HB3  GLN  88           HB3      GLN  88 -16.156   4.329  -8.034
  598    HG2  GLN  88           HG2      GLN  88 -17.618   5.947 -10.184
  599    HG3  GLN  88           HG3      GLN  88 -18.193   5.668  -8.547
  600   HE21  GLN  88          HE21      GLN  88 -15.936   7.579 -10.518
  601   HE22  GLN  88          HE22      GLN  88 -15.485   8.634  -9.175
  602    H    GLY  89           H        GLY  89 -13.528   5.994 -11.186
  603    HA2  GLY  89           HA2      GLY  89 -12.400   7.861 -10.492
  604    HA3  GLY  89           HA3      GLY  89 -12.922   7.528  -8.831
  605    H    HIS  90           H        HIS  90 -11.632   5.616  -7.772
  606    HA   HIS  90           HA       HIS  90  -9.028   6.882  -7.667
  607    HB2  HIS  90           HB2      HIS  90 -10.105   6.428  -5.604
  608    HB3  HIS  90           HB3      HIS  90 -10.222   4.705  -5.963
  609    HD2  HIS  90           HD2      HIS  90  -6.990   6.810  -6.433
  610    HE1  HIS  90           HE1      HIS  90  -6.167   4.193  -3.209
  611    HE2  HIS  90           HE2      HIS  90  -5.219   5.961  -4.797
  612    H    LEU  91           H        LEU  91  -7.938   6.448  -9.533
  613    HA   LEU  91           HA       LEU  91  -7.295   3.966 -10.601
  614    HB2  LEU  91           HB2      LEU  91  -5.697   5.038 -11.923
  615    HB3  LEU  91           HB3      LEU  91  -7.019   6.145 -11.686
  616    HG   LEU  91           HG       LEU  91  -5.104   7.433 -11.721
  617   HD11  LEU  91          HD11      LEU  91  -5.622   7.183  -8.735
  618   HD12  LEU  91          HD12      LEU  91  -4.946   8.570  -9.600
  619   HD13  LEU  91          HD13      LEU  91  -6.628   8.097  -9.886
  620   HD21  LEU  91          HD21      LEU  91  -3.433   5.621 -11.367
  621   HD22  LEU  91          HD22      LEU  91  -3.052   7.143 -10.550
  622   HD23  LEU  91          HD23      LEU  91  -3.671   5.782  -9.613
  623    H    GLY  92           H        GLY  92  -5.894   5.294  -7.712
  624    HA2  GLY  92           HA2      GLY  92  -3.536   3.561  -7.711
  625    HA3  GLY  92           HA3      GLY  92  -4.060   4.658  -6.413
  626    H    ASP  93           H        ASP  93  -6.756   2.842  -7.075
  627    HA   ASP  93           HA       ASP  93  -6.362   0.771  -5.081
  628    HB2  ASP  93           HB2      ASP  93  -8.422   1.030  -7.341
  629    HB3  ASP  93           HB3      ASP  93  -8.540  -0.030  -5.954
  630    H    LEU  94           H        LEU  94  -5.797  -1.460  -5.544
  631    HA   LEU  94           HA       LEU  94  -4.305  -1.910  -8.078
  632    HB2  LEU  94           HB2      LEU  94  -3.307  -0.533  -5.688
  633    HB3  LEU  94           HB3      LEU  94  -2.394  -1.996  -5.966
  634    HG   LEU  94           HG       LEU  94  -1.489  -1.279  -7.938
  635   HD11  LEU  94          HD11      LEU  94  -3.343   1.125  -7.995
  636   HD12  LEU  94          HD12      LEU  94  -1.951   0.885  -9.063
  637   HD13  LEU  94          HD13      LEU  94  -3.322  -0.224  -9.152
  638   HD21  LEU  94          HD21      LEU  94  -0.583  -0.307  -5.846
  639   HD22  LEU  94          HD22      LEU  94  -0.265   0.684  -7.280
  640   HD23  LEU  94          HD23      LEU  94  -1.550   1.155  -6.149
  641    HA   PRO  95           HA       PRO  95  -4.721  -6.072  -7.207
  642    HB2  PRO  95           HB2      PRO  95  -2.477  -7.390  -8.015
  643    HB3  PRO  95           HB3      PRO  95  -3.461  -6.403  -9.139
  644    HG2  PRO  95           HG2      PRO  95  -0.950  -5.576  -7.643
  645    HG3  PRO  95           HG3      PRO  95  -1.301  -5.397  -9.391
  646    HD2  PRO  95           HD2      PRO  95  -1.684  -3.393  -7.599
  647    HD3  PRO  95           HD3      PRO  95  -2.779  -3.600  -9.005
  648    H    VAL  96           H        VAL  96  -4.098  -8.122  -6.071
  649    HA   VAL  96           HA       VAL  96  -3.254  -7.396  -3.369
  650    HB   VAL  96           HB       VAL  96  -4.034  -9.630  -2.670
  651   HG11  VAL  96          HG11      VAL  96  -6.079  -7.985  -4.221
  652   HG12  VAL  96          HG12      VAL  96  -6.410  -9.100  -2.880
  653   HG13  VAL  96          HG13      VAL  96  -5.482  -7.626  -2.590
  654   HG21  VAL  96          HG21      VAL  96  -3.776 -10.934  -4.736
  655   HG22  VAL  96          HG22      VAL  96  -5.445 -10.966  -4.158
  656   HG23  VAL  96          HG23      VAL  96  -5.012  -9.935  -5.539
  657    H    LEU  97           H        LEU  97  -1.618  -7.926  -2.340
  658    HA   LEU  97           HA       LEU  97   0.815  -9.119  -3.367
  659    HB2  LEU  97           HB2      LEU  97   0.320  -7.040  -1.817
  660    HB3  LEU  97           HB3      LEU  97   0.060  -8.194  -0.561
  661    HG   LEU  97           HG       LEU  97   2.186  -7.729  -0.070
  662   HD11  LEU  97          HD11      LEU  97   2.873  -9.543  -2.422
  663   HD12  LEU  97          HD12      LEU  97   3.911  -9.172  -1.033
  664   HD13  LEU  97          HD13      LEU  97   2.424 -10.103  -0.787
  665   HD21  LEU  97          HD21      LEU  97   2.291  -5.923  -1.624
  666   HD22  LEU  97          HD22      LEU  97   3.839  -6.790  -1.613
  667   HD23  LEU  97          HD23      LEU  97   2.699  -7.026  -2.967
  668    H    VAL  98           H        VAL  98   0.418 -11.340  -3.671
  669    HA   VAL  98           HA       VAL  98  -0.832 -13.021  -1.644
  670    HB   VAL  98           HB       VAL  98   0.600 -13.673  -4.239
  671   HG11  VAL  98          HG11      VAL  98  -0.887 -15.570  -2.358
  672   HG12  VAL  98          HG12      VAL  98  -0.410 -15.959  -4.027
  673   HG13  VAL  98          HG13      VAL  98   0.831 -15.658  -2.812
  674   HG21  VAL  98          HG21      VAL  98  -1.560 -12.508  -4.500
  675   HG22  VAL  98          HG22      VAL  98  -1.718 -14.193  -5.004
  676   HG23  VAL  98          HG23      VAL  98  -2.344 -13.680  -3.419
  677    H    VAL  99           H        VAL  99   0.037 -14.376  -0.184
  678    HA   VAL  99           HA       VAL  99   2.993 -14.418   0.259
  679    HB   VAL  99           HB       VAL  99   1.028 -14.676   2.527
  680   HG11  VAL  99          HG11      VAL  99   3.666 -13.133   2.450
  681   HG12  VAL  99          HG12      VAL  99   2.663 -13.464   3.846
  682   HG13  VAL  99          HG13      VAL  99   3.451 -14.820   3.018
  683   HG21  VAL  99          HG21      VAL  99   0.111 -12.655   1.444
  684   HG22  VAL  99          HG22      VAL  99   0.909 -12.331   2.968
  685   HG23  VAL  99          HG23      VAL  99   1.730 -11.939   1.425
  686    H    ASN 100           H        ASN 100   3.794 -16.514   0.821
  687    HA   ASN 100           HA       ASN 100   1.932 -18.781   0.429
  688    HB2  ASN 100           HB2      ASN 100   3.885 -20.190   0.444
  689    HB3  ASN 100           HB3      ASN 100   4.048 -18.877  -0.711
  690   HD21  ASN 100          HD21      ASN 100   4.753 -18.555   2.846
  691   HD22  ASN 100          HD22      ASN 100   6.496 -18.534   2.580
  692    H    ASN 101           H        ASN 101   1.840 -20.593   1.962
  693    HA   ASN 101           HA       ASN 101   0.880 -19.895   4.408
  694    HB2  ASN 101           HB2      ASN 101   0.242 -21.991   4.533
  695    HB3  ASN 101           HB3      ASN 101   0.999 -22.220   2.961
  696   HD21  ASN 101          HD21      ASN 101   3.517 -22.766   3.146
  697   HD22  ASN 101          HD22      ASN 101   4.027 -23.552   4.603
  698    H    ASP 102           H        ASP 102   4.252 -20.287   3.791
  699    HA   ASP 102           HA       ASP 102   5.123 -20.581   6.561
  700    HB2  ASP 102           HB2      ASP 102   6.832 -19.994   4.128
  701    HB3  ASP 102           HB3      ASP 102   7.331 -20.698   5.663
  702    H    GLY 103           H        GLY 103   3.832 -17.941   5.134
  703    HA2  GLY 103           HA2      GLY 103   3.714 -15.761   5.927
  704    HA3  GLY 103           HA3      GLY 103   5.042 -16.110   7.058
  705    H    ILE 104           H        ILE 104   5.381 -16.616   3.597
  706    HA   ILE 104           HA       ILE 104   7.300 -14.332   3.406
  707    HB   ILE 104           HB       ILE 104   7.694 -17.005   2.026
  708   HG12  ILE 104          HG12      ILE 104   8.743 -16.134   4.749
  709   HG13  ILE 104          HG13      ILE 104   7.767 -17.551   4.366
  710   HG21  ILE 104          HG21      ILE 104   9.669 -14.764   2.603
  711   HG22  ILE 104          HG22      ILE 104   9.948 -16.221   1.627
  712   HG23  ILE 104          HG23      ILE 104   8.825 -15.002   1.059
  713   HD11  ILE 104          HD11      ILE 104  10.676 -17.125   3.681
  714   HD12  ILE 104          HD12      ILE 104   9.967 -18.314   4.780
  715   HD13  ILE 104          HD13      ILE 104   9.689 -18.467   3.033
  716    H    ALA 105           H        ALA 105   7.185 -13.114   1.575
  717    HA   ALA 105           HA       ALA 105   5.092 -13.804  -0.443
  718    HB1  ALA 105           HB1      ALA 105   6.225 -11.097   0.379
  719    HB2  ALA 105           HB2      ALA 105   5.041 -11.383  -0.926
  720    HB3  ALA 105           HB3      ALA 105   4.604 -11.736   0.746
  721    H    THR 106           H        THR 106   5.568 -13.507  -2.609
  722    HA   THR 106           HA       THR 106   8.357 -13.371  -3.554
  723    HB   THR 106           HB       THR 106   8.018 -15.548  -2.327
  724    HG1  THR 106           HG1      THR 106   9.665 -15.552  -3.566
  725   HG21  THR 106          HG21      THR 106   6.403 -16.396  -4.763
  726   HG22  THR 106          HG22      THR 106   6.924 -17.406  -3.400
  727   HG23  THR 106          HG23      THR 106   5.734 -16.130  -3.133
  728    H    GLU 107           H        GLU 107   4.975 -14.064  -4.314
  729    HA   GLU 107           HA       GLU 107   5.210 -14.229  -7.108
  730    HB2  GLU 107           HB2      GLU 107   2.886 -13.432  -5.318
  731    HB3  GLU 107           HB3      GLU 107   2.725 -13.823  -7.029
  732    HG2  GLU 107           HG2      GLU 107   3.873 -15.799  -4.993
  733    HG3  GLU 107           HG3      GLU 107   2.159 -15.662  -5.354
  734    HA   PRO 108           HA       PRO 108   5.590  -9.764  -7.823
  735    HB2  PRO 108           HB2      PRO 108   6.036  -9.751 -10.533
  736    HB3  PRO 108           HB3      PRO 108   7.282 -10.175  -9.328
  737    HG2  PRO 108           HG2      PRO 108   5.565 -12.034 -10.971
  738    HG3  PRO 108           HG3      PRO 108   7.315 -12.148 -10.589
  739    HD2  PRO 108           HD2      PRO 108   5.348 -13.554  -9.244
  740    HD3  PRO 108           HD3      PRO 108   6.893 -13.062  -8.488
  741    H    VAL 109           H        VAL 109   4.141  -8.243  -8.282
  742    HA   VAL 109           HA       VAL 109   1.610  -8.955  -9.720
  743    HB   VAL 109           HB       VAL 109   0.270  -8.068  -7.805
  744   HG11  VAL 109          HG11      VAL 109   1.866 -10.609  -7.266
  745   HG12  VAL 109          HG12      VAL 109   0.282 -10.204  -6.608
  746   HG13  VAL 109          HG13      VAL 109   0.460 -10.471  -8.345
  747   HG21  VAL 109          HG21      VAL 109   2.027  -6.928  -6.472
  748   HG22  VAL 109          HG22      VAL 109   1.206  -8.169  -5.529
  749   HG23  VAL 109          HG23      VAL 109   2.829  -8.484  -6.175
  750    H    THR 110           H        THR 110   2.553  -7.653 -11.264
  751    HA   THR 110           HA       THR 110   3.185  -4.962 -11.193
  752    HB   THR 110           HB       THR 110   1.869  -6.476 -13.474
  753    HG1  THR 110           HG1      THR 110   3.751  -7.379 -13.789
  754   HG21  THR 110          HG21      THR 110   3.861  -4.145 -13.539
  755   HG22  THR 110          HG22      THR 110   3.274  -5.049 -14.940
  756   HG23  THR 110          HG23      THR 110   2.155  -4.070 -13.995
  757    H    ALA 111           H        ALA 111   2.203  -3.072 -11.278
  758    HA   ALA 111           HA       ALA 111  -0.778  -2.958 -11.453
  759    HB1  ALA 111           HB1      ALA 111   1.219  -1.021 -10.240
  760    HB2  ALA 111           HB2      ALA 111  -0.542  -0.816 -10.278
  761    HB3  ALA 111           HB3      ALA 111   0.183  -2.161  -9.364
  762    HA   PRO 112           HA       PRO 112   0.398  -1.010 -15.489
  763    HB2  PRO 112           HB2      PRO 112  -1.804  -1.748 -16.928
  764    HB3  PRO 112           HB3      PRO 112  -0.491  -2.899 -16.558
  765    HG2  PRO 112           HG2      PRO 112  -3.095  -2.513 -15.045
  766    HG3  PRO 112           HG3      PRO 112  -2.395  -4.045 -15.668
  767    HD2  PRO 112           HD2      PRO 112  -2.049  -3.261 -13.098
  768    HD3  PRO 112           HD3      PRO 112  -0.732  -4.075 -13.994
  769    H    ARG 113           H        ARG 113  -1.586  -0.122 -13.070
  770    HA   ARG 113           HA       ARG 113  -3.464   1.680 -14.400
  771    HB2  ARG 113           HB2      ARG 113  -2.680   1.237 -11.493
  772    HB3  ARG 113           HB3      ARG 113  -3.966   2.327 -12.005
  773    HG2  ARG 113           HG2      ARG 113  -4.084  -0.543 -12.975
  774    HG3  ARG 113           HG3      ARG 113  -4.431  -0.236 -11.286
  775    HD2  ARG 113           HD2      ARG 113  -5.842   1.354 -13.456
  776    HD3  ARG 113           HD3      ARG 113  -6.386  -0.264 -12.975
  777    HE   ARG 113           HE       ARG 113  -5.952   1.496 -10.697
  778   HH11  ARG 113          HH11      ARG 113  -8.525   0.667 -13.133
  779   HH12  ARG 113          HH12      ARG 113  -9.717   0.899 -11.874
  780   HH21  ARG 113          HH21      ARG 113  -7.716   1.702  -9.300
  781   HH22  ARG 113          HH22      ARG 113  -9.333   1.510  -9.984
  782    H    LEU 114           H        LEU 114  -0.211   1.872 -13.476
  783    HA   LEU 114           HA       LEU 114  -0.066   4.763 -14.152
  784    HB2  LEU 114           HB2      LEU 114   1.565   3.291 -12.016
  785    HB3  LEU 114           HB3      LEU 114   2.020   4.822 -12.732
  786    HG   LEU 114           HG       LEU 114  -0.284   5.720 -11.922
  787   HD11  LEU 114          HD11      LEU 114   0.033   3.267 -10.122
  788   HD12  LEU 114          HD12      LEU 114  -0.989   4.666  -9.730
  789   HD13  LEU 114          HD13      LEU 114  -1.373   3.675 -11.125
  790   HD21  LEU 114          HD21      LEU 114   1.891   6.454 -11.056
  791   HD22  LEU 114          HD22      LEU 114   0.725   6.306  -9.736
  792   HD23  LEU 114          HD23      LEU 114   1.959   5.048  -9.971
  793    H    LYS 115           H        LYS 115   2.448   5.058 -14.856
  794    HA   LYS 115           HA       LYS 115   3.332   2.632 -16.410
  795    HB2  LYS 115           HB2      LYS 115   3.138   5.503 -17.227
  796    HB3  LYS 115           HB3      LYS 115   4.640   4.682 -17.613
  797    HG2  LYS 115           HG2      LYS 115   3.185   4.501 -19.487
  798    HG3  LYS 115           HG3      LYS 115   3.499   2.909 -18.818
  799    HD2  LYS 115           HD2      LYS 115   1.067   4.123 -17.672
  800    HD3  LYS 115           HD3      LYS 115   1.003   4.065 -19.435
  801    HE2  LYS 115           HE2      LYS 115   1.408   1.679 -19.462
  802    HE3  LYS 115           HE3      LYS 115   1.699   1.649 -17.718
  803    HZ1  LYS 115           HZ1      LYS 115  -0.895   2.532 -18.852
  804    HZ2  LYS 115           HZ2      LYS 115  -0.580   0.966 -18.430
  805    HZ3  LYS 115           HZ3      LYS 115  -0.546   2.117 -17.291
  806    H    SER 116           H        SER 116   4.491   5.537 -14.653
  807    HA   SER 116           HA       SER 116   7.214   4.281 -14.864
  808    HB2  SER 116           HB2      SER 116   6.392   7.157 -15.294
  809    HB3  SER 116           HB3      SER 116   8.040   6.488 -15.379
  810    HG   SER 116           HG       SER 116   7.100   6.561 -17.464
  811    H    LEU 117           H        LEU 117   8.992   5.241 -13.589
  812    HA   LEU 117           HA       LEU 117   8.271   5.147 -10.784
  813    HB2  LEU 117           HB2      LEU 117  10.597   4.621 -12.358
  814    HB3  LEU 117           HB3      LEU 117  11.029   5.975 -11.351
  815    HG   LEU 117           HG       LEU 117  10.456   4.694  -9.323
  816   HD11  LEU 117          HD11      LEU 117   9.966   2.346 -11.217
  817   HD12  LEU 117          HD12      LEU 117  10.066   2.259  -9.449
  818   HD13  LEU 117          HD13      LEU 117   8.731   3.130 -10.204
  819   HD21  LEU 117          HD21      LEU 117  12.757   4.650 -10.217
  820   HD22  LEU 117          HD22      LEU 117  12.346   3.081  -9.507
  821   HD23  LEU 117          HD23      LEU 117  12.351   3.270 -11.264
  822    H    ASP 118           H        ASP 118   9.140   7.759 -12.998
  823    HA   ASP 118           HA       ASP 118   9.747   9.796 -11.142
  824    HB2  ASP 118           HB2      ASP 118   8.995  11.311 -13.066
  825    HB3  ASP 118           HB3      ASP 118  10.305  10.180 -13.377
  826    H    GLU 119           H        GLU 119   6.542   8.695 -12.243
  827    HA   GLU 119           HA       GLU 119   5.156  10.791 -10.793
  828    HB2  GLU 119           HB2      GLU 119   3.102   9.440 -11.365
  829    HB3  GLU 119           HB3      GLU 119   4.062  10.097 -12.670
  830    HG2  GLU 119           HG2      GLU 119   5.092   7.882 -13.071
  831    HG3  GLU 119           HG3      GLU 119   4.068   7.199 -11.789
  832    H    VAL 120           H        VAL 120   6.750   8.110  -9.553
  833    HA   VAL 120           HA       VAL 120   5.089   8.339  -7.067
  834    HB   VAL 120           HB       VAL 120   5.508   6.017  -6.503
  835   HG11  VAL 120          HG11      VAL 120   4.192   6.231  -9.228
  836   HG12  VAL 120          HG12      VAL 120   3.956   4.959  -8.014
  837   HG13  VAL 120          HG13      VAL 120   3.430   6.614  -7.668
  838   HG21  VAL 120          HG21      VAL 120   7.621   5.634  -7.805
  839   HG22  VAL 120          HG22      VAL 120   6.397   4.383  -8.069
  840   HG23  VAL 120          HG23      VAL 120   6.652   5.633  -9.298
  841    H    LYS 121           H        LYS 121   7.913   9.358  -8.219
  842    HA   LYS 121           HA       LYS 121   9.934   8.260  -6.669
  843    HB2  LYS 121           HB2      LYS 121  11.285  10.051  -7.424
  844    HB3  LYS 121           HB3      LYS 121  10.127   9.731  -8.714
  845    HG2  LYS 121           HG2      LYS 121   8.790  11.717  -8.021
  846    HG3  LYS 121           HG3      LYS 121   9.853  11.959  -6.638
  847    HD2  LYS 121           HD2      LYS 121  10.562  13.551  -8.144
  848    HD3  LYS 121           HD3      LYS 121  11.785  12.282  -8.224
  849    HE2  LYS 121           HE2      LYS 121  10.665  11.417 -10.315
  850    HE3  LYS 121           HE3      LYS 121   9.503  12.750 -10.201
  851    HZ1  LYS 121           HZ1      LYS 121  12.418  12.916 -10.675
  852    HZ2  LYS 121           HZ2      LYS 121  11.199  13.535 -11.627
  853    HZ3  LYS 121           HZ3      LYS 121  11.570  14.220 -10.186
  854    H    ASP 122           H        ASP 122   7.505  10.107  -5.331
  855    HA   ASP 122           HA       ASP 122   8.963  10.678  -2.815
  856    HB2  ASP 122           HB2      ASP 122   9.006  12.603  -4.634
  857    HB3  ASP 122           HB3      ASP 122   7.329  12.847  -4.178
  858    H    LYS 123           H        LYS 123   6.714   8.889  -3.833
  859    HA   LYS 123           HA       LYS 123   4.467   9.731  -2.047
  860    HB2  LYS 123           HB2      LYS 123   4.537   7.807  -4.411
  861    HB3  LYS 123           HB3      LYS 123   3.153   8.041  -3.336
  862    HG2  LYS 123           HG2      LYS 123   3.158  10.490  -3.935
  863    HG3  LYS 123           HG3      LYS 123   4.326  10.105  -5.222
  864    HD2  LYS 123           HD2      LYS 123   2.741   8.502  -6.223
  865    HD3  LYS 123           HD3      LYS 123   1.646   8.689  -4.849
  866    HE2  LYS 123           HE2      LYS 123   0.671   9.876  -6.560
  867    HE3  LYS 123           HE3      LYS 123   1.314  11.095  -5.449
  868    HZ1  LYS 123           HZ1      LYS 123   2.735  10.223  -7.920
  869    HZ2  LYS 123           HZ2      LYS 123   1.774  11.538  -7.898
  870    HZ3  LYS 123           HZ3      LYS 123   3.131  11.483  -6.971
  871    H    ALA 124           H        ALA 124   3.306   7.182  -1.692
  872    HA   ALA 124           HA       ALA 124   5.358   5.433  -0.455
  873    HB1  ALA 124           HB1      ALA 124   2.884   6.507   0.958
  874    HB2  ALA 124           HB2      ALA 124   4.007   5.295   1.621
  875    HB3  ALA 124           HB3      ALA 124   4.563   6.951   1.329
  876    H    LEU 125           H        LEU 125   4.607   3.399   0.109
  877    HA   LEU 125           HA       LEU 125   2.374   2.188  -1.500
  878    HB2  LEU 125           HB2      LEU 125   4.829   0.915  -0.275
  879    HB3  LEU 125           HB3      LEU 125   3.728   0.176  -1.440
  880    HG   LEU 125           HG       LEU 125   5.653   2.478  -2.035
  881   HD11  LEU 125          HD11      LEU 125   5.895  -0.519  -2.487
  882   HD12  LEU 125          HD12      LEU 125   7.035   0.715  -3.056
  883   HD13  LEU 125          HD13      LEU 125   6.808   0.446  -1.329
  884   HD21  LEU 125          HD21      LEU 125   3.547   2.137  -3.557
  885   HD22  LEU 125          HD22      LEU 125   5.136   2.220  -4.320
  886   HD23  LEU 125          HD23      LEU 125   4.385   0.653  -4.085
  887    H    MET 126           H        MET 126   0.979   0.752  -0.237
  888    HA   MET 126           HA       MET 126   1.858   0.162   2.568
  889    HB2  MET 126           HB2      MET 126  -0.893   1.233   1.844
  890    HB3  MET 126           HB3      MET 126  -0.481   0.464   3.379
  891    HG2  MET 126           HG2      MET 126   1.319   2.188   3.713
  892    HG3  MET 126           HG3      MET 126   0.768   2.999   2.260
  893    HE1  MET 126           HE1      MET 126   0.592   5.204   3.472
  894    HE2  MET 126           HE2      MET 126  -0.303   5.500   4.976
  895    HE3  MET 126           HE3      MET 126   1.146   4.462   4.977
  896    H    ILE 127           H        ILE 127   1.720  -1.886   3.077
  897    HA   ILE 127           HA       ILE 127   0.243  -3.811   1.312
  898    HB   ILE 127           HB       ILE 127   2.257  -4.290   3.540
  899   HG12  ILE 127          HG12      ILE 127   2.376  -4.796   0.525
  900   HG13  ILE 127          HG13      ILE 127   3.154  -3.458   1.355
  901   HG21  ILE 127          HG21      ILE 127   0.785  -6.318   1.784
  902   HG22  ILE 127          HG22      ILE 127   2.059  -6.700   2.962
  903   HG23  ILE 127          HG23      ILE 127   0.518  -6.085   3.526
  904   HD11  ILE 127          HD11      ILE 127   3.864  -6.399   1.654
  905   HD12  ILE 127          HD12      ILE 127   4.822  -5.119   0.904
  906   HD13  ILE 127          HD13      ILE 127   4.545  -5.091   2.655
  907    H    HIS 128           H        HIS 128  -1.743  -4.002   1.741
  908    HA   HIS 128           HA       HIS 128  -2.867  -2.992   4.213
  909    HB2  HIS 128           HB2      HIS 128  -3.577  -3.239   1.397
  910    HB3  HIS 128           HB3      HIS 128  -4.922  -3.637   2.389
  911    HD1  HIS 128           HD1      HIS 128  -5.806  -1.616   4.057
  912    HD2  HIS 128           HD2      HIS 128  -2.782  -0.748   1.286
  913    HE1  HIS 128           HE1      HIS 128  -5.812   0.927   3.782
  914    H    VAL 129           H        VAL 129  -4.362  -4.006   5.624
  915    HA   VAL 129           HA       VAL 129  -3.412  -6.610   6.320
  916    HB   VAL 129           HB       VAL 129  -5.675  -4.937   7.411
  917   HG11  VAL 129          HG11      VAL 129  -4.738  -7.634   8.496
  918   HG12  VAL 129          HG12      VAL 129  -5.742  -6.473   9.393
  919   HG13  VAL 129          HG13      VAL 129  -6.376  -7.228   7.932
  920   HG21  VAL 129          HG21      VAL 129  -3.321  -4.219   7.818
  921   HG22  VAL 129          HG22      VAL 129  -4.111  -4.692   9.327
  922   HG23  VAL 129          HG23      VAL 129  -2.959  -5.790   8.540
  923    H    GLY 130           H        GLY 130  -6.551  -5.655   4.892
  924    HA2  GLY 130           HA2      GLY 130  -7.033  -8.506   4.081
  925    HA3  GLY 130           HA3      GLY 130  -8.231  -7.191   4.025
  926    H    GLY 131           H        GLY 131  -7.827  -8.669   1.785
  927    HA2  GLY 131           HA2      GLY 131  -6.259  -7.535  -0.274
  928    HA3  GLY 131           HA3      GLY 131  -7.817  -8.313  -0.460
  929    H    ASP 132           H        ASP 132  -7.033  -6.198  -2.022
  930    HA   ASP 132           HA       ASP 132  -7.493  -3.594  -1.026
  931    HB2  ASP 132           HB2      ASP 132  -6.072  -3.764  -2.817
  932    HB3  ASP 132           HB3      ASP 132  -7.030  -4.964  -3.639
  933    H    ASN 133           H        ASN 133  -9.743  -5.764  -2.680
  934    HA   ASN 133           HA       ASN 133 -11.236  -3.723  -3.797
  935    HB2  ASN 133           HB2      ASN 133 -12.549  -5.532  -4.793
  936    HB3  ASN 133           HB3      ASN 133 -10.822  -5.836  -4.842
  937   HD21  ASN 133          HD21      ASN 133 -13.717  -6.620  -2.817
  938   HD22  ASN 133          HD22      ASN 133 -13.186  -8.271  -2.477
  939    H    MET 134           H        MET 134 -11.596  -3.128  -1.078
  940    HA   MET 134           HA       MET 134 -14.522  -3.604  -0.583
  941    HB2  MET 134           HB2      MET 134 -12.122  -3.470   1.199
  942    HB3  MET 134           HB3      MET 134 -13.557  -2.649   1.787
  943    HG2  MET 134           HG2      MET 134 -13.422  -4.996   2.560
  944    HG3  MET 134           HG3      MET 134 -14.896  -4.619   1.689
  945    HE1  MET 134           HE1      MET 134 -11.478  -6.572   1.622
  946    HE2  MET 134           HE2      MET 134 -11.483  -7.256  -0.017
  947    HE3  MET 134           HE3      MET 134 -11.288  -5.510   0.211
  948    H    SER 135           H        SER 135 -15.871  -1.908   0.030
  949    HA   SER 135           HA       SER 135 -14.897   0.866  -0.046
  950    HB2  SER 135           HB2      SER 135 -15.267   0.011  -2.453
  951    HB3  SER 135           HB3      SER 135 -16.994   0.081  -2.082
  952    HG   SER 135           HG       SER 135 -15.832   2.025  -3.013
  953    H    ASP 136           H        ASP 136 -17.841   1.622  -0.670
  954    HA   ASP 136           HA       ASP 136 -18.804   2.428   1.673
  955    HB2  ASP 136           HB2      ASP 136 -20.417   1.275  -0.634
  956    HB3  ASP 136           HB3      ASP 136 -21.107   2.223   0.682
  957    H    GLN 137           H        GLN 137 -19.080   1.530   3.603
  958    HA   GLN 137           HA       GLN 137 -20.709  -0.872   4.067
  959    HB2  GLN 137           HB2      GLN 137 -17.712  -0.607   4.534
  960    HB3  GLN 137           HB3      GLN 137 -18.660  -1.614   5.610
  961    HG2  GLN 137           HG2      GLN 137 -19.294  -3.133   3.867
  962    HG3  GLN 137           HG3      GLN 137 -18.659  -2.070   2.605
  963   HE21  GLN 137          HE21      GLN 137 -16.335  -1.581   2.618
  964   HE22  GLN 137          HE22      GLN 137 -15.219  -2.757   3.343
  965    HA   PRO 138           HA       PRO 138 -21.583   1.483   7.777
  966    HB2  PRO 138           HB2      PRO 138 -22.199  -0.436   9.656
  967    HB3  PRO 138           HB3      PRO 138 -23.211  -0.091   8.234
  968    HG2  PRO 138           HG2      PRO 138 -21.093  -2.246   8.528
  969    HG3  PRO 138           HG3      PRO 138 -22.791  -2.436   7.973
  970    HD2  PRO 138           HD2      PRO 138 -20.763  -2.198   6.205
  971    HD3  PRO 138           HD3      PRO 138 -22.329  -1.390   5.903
  972    H    LYS 139           H        LYS 139 -18.626   0.399   7.382
  973    HA   LYS 139           HA       LYS 139 -17.680   1.235  10.049
  974    HB2  LYS 139           HB2      LYS 139 -16.878  -1.315   8.595
  975    HB3  LYS 139           HB3      LYS 139 -15.818  -0.549   9.785
  976    HG2  LYS 139           HG2      LYS 139 -17.419  -0.837  11.566
  977    HG3  LYS 139           HG3      LYS 139 -18.694  -1.309  10.441
  978    HD2  LYS 139           HD2      LYS 139 -17.900  -3.265  11.610
  979    HD3  LYS 139           HD3      LYS 139 -17.558  -3.367   9.887
  980    HE2  LYS 139           HE2      LYS 139 -15.186  -2.578  10.402
  981    HE3  LYS 139           HE3      LYS 139 -15.576  -2.735  12.123
  982    HZ1  LYS 139           HZ1      LYS 139 -15.602  -4.905  10.104
  983    HZ2  LYS 139           HZ2      LYS 139 -14.495  -4.694  11.325
  984    HZ3  LYS 139           HZ3      LYS 139 -16.048  -5.118  11.670
  985    HA   PRO 140           HA       PRO 140 -15.575   4.111   7.620
  986    HB2  PRO 140           HB2      PRO 140 -13.325   4.751   9.112
  987    HB3  PRO 140           HB3      PRO 140 -14.989   5.258   9.515
  988    HG2  PRO 140           HG2      PRO 140 -13.472   2.848  10.553
  989    HG3  PRO 140           HG3      PRO 140 -14.371   4.077  11.506
  990    HD2  PRO 140           HD2      PRO 140 -15.510   1.720  10.897
  991    HD3  PRO 140           HD3      PRO 140 -16.471   3.224  10.742
  992    H    LEU 141           H        LEU 141 -13.916   4.540   6.192
  993    HA   LEU 141           HA       LEU 141 -12.452   4.061   4.554
  994    HB2  LEU 141           HB2      LEU 141 -11.153   4.028   6.999
  995    HB3  LEU 141           HB3      LEU 141 -10.574   2.540   6.280
  996    HG   LEU 141           HG       LEU 141 -10.447   5.331   5.033
  997   HD11  LEU 141          HD11      LEU 141  -8.227   3.647   6.271
  998   HD12  LEU 141          HD12      LEU 141  -8.038   5.238   5.503
  999   HD13  LEU 141          HD13      LEU 141  -8.976   5.087   6.997
 1000   HD21  LEU 141          HD21      LEU 141 -10.485   3.653   3.240
 1001   HD22  LEU 141          HD22      LEU 141  -8.872   4.354   3.389
 1002   HD23  LEU 141          HD23      LEU 141  -9.190   2.733   4.044
 1003    H    GLY 142           H        GLY 142 -14.534   1.949   5.094
 1004    HA2  GLY 142           HA2      GLY 142 -15.220   0.077   3.919
 1005    HA3  GLY 142           HA3      GLY 142 -13.648   0.032   3.077
 1006    H    GLY 143           H        GLY 143 -13.458   0.112   6.530
 1007    HA2  GLY 143           HA2      GLY 143 -13.053  -1.496   8.156
 1008    HA3  GLY 143           HA3      GLY 143 -13.522  -2.774   7.004
 1009    H    GLY 144           H        GLY 144 -11.758  -2.507   4.983
 1010    HA2  GLY 144           HA2      GLY 144  -9.299  -3.630   6.047
 1011    HA3  GLY 144           HA3      GLY 144  -9.727  -3.405   4.332
 1012    H    GLY 145           H        GLY 145  -9.819  -0.571   6.363
 1013    HA2  GLY 145           HA2      GLY 145  -7.834   0.829   4.838
 1014    HA3  GLY 145           HA3      GLY 145  -8.624   1.369   6.339
 1015    H    THR 146           H        THR 146  -7.561  -1.167   7.707
 1016    HA   THR 146           HA       THR 146  -5.044  -0.208   8.692
 1017    HB   THR 146           HB       THR 146  -4.955  -2.572   9.707
 1018    HG1  THR 146           HG1      THR 146  -7.137  -3.495   9.653
 1019   HG21  THR 146          HG21      THR 146  -7.397  -0.835  10.271
 1020   HG22  THR 146          HG22      THR 146  -6.704  -2.061  11.353
 1021   HG23  THR 146          HG23      THR 146  -5.777  -0.606  10.959
 1022    H    ARG 147           H        ARG 147  -2.989  -0.998   8.459
 1023    HA   ARG 147           HA       ARG 147  -2.375  -2.712   6.135
 1024    HB2  ARG 147           HB2      ARG 147  -0.429  -1.145   5.642
 1025    HB3  ARG 147           HB3      ARG 147  -2.012  -0.697   5.054
 1026    HG2  ARG 147           HG2      ARG 147  -0.969   0.474   7.659
 1027    HG3  ARG 147           HG3      ARG 147  -0.443   1.095   6.094
 1028    HD2  ARG 147           HD2      ARG 147  -2.883   1.411   5.472
 1029    HD3  ARG 147           HD3      ARG 147  -3.291   1.051   7.159
 1030    HE   ARG 147           HE       ARG 147  -1.300   3.149   6.878
 1031   HH11  ARG 147          HH11      ARG 147  -4.799   2.616   6.657
 1032   HH12  ARG 147          HH12      ARG 147  -5.149   4.310   6.866
 1033   HH21  ARG 147          HH21      ARG 147  -1.871   5.368   7.205
 1034   HH22  ARG 147          HH22      ARG 147  -3.525   5.811   7.119
 1035    H    TYR 148           H        TYR 148  -0.677  -4.016   6.343
 1036    HA   TYR 148           HA       TYR 148   0.282  -4.486   9.094
 1037    HB2  TYR 148           HB2      TYR 148  -0.474  -6.302   7.460
 1038    HB3  TYR 148           HB3      TYR 148   1.006  -6.076   6.549
 1039    HD1  TYR 148           HD1      TYR 148  -0.295  -6.845   9.974
 1040    HD2  TYR 148           HD2      TYR 148   2.979  -7.243   7.183
 1041    HE1  TYR 148           HE1      TYR 148   0.818  -8.465  11.501
 1042    HE2  TYR 148           HE2      TYR 148   4.104  -8.812   8.731
 1043    HH   TYR 148           HH       TYR 148   3.918 -10.055  10.674
 1044    H    ALA 149           H        ALA 149   1.519  -3.252   6.001
 1045    HA   ALA 149           HA       ALA 149   3.823  -2.085   7.416
 1046    HB1  ALA 149           HB1      ALA 149   4.105  -3.866   4.949
 1047    HB2  ALA 149           HB2      ALA 149   5.401  -2.912   5.679
 1048    HB3  ALA 149           HB3      ALA 149   4.679  -4.250   6.592
 1049    H    CYS 150           H        CYS 150   4.823  -0.368   6.391
 1050    HA   CYS 150           HA       CYS 150   3.490   0.878   4.042
 1051    HB2  CYS 150           HB2      CYS 150   2.842   2.053   6.108
 1052    HB3  CYS 150           HB3      CYS 150   4.543   2.249   6.536
 1053    H    GLY 151           H        GLY 151   4.863   1.917   2.676
 1054    HA2  GLY 151           HA2      GLY 151   7.817   1.791   3.052
 1055    HA3  GLY 151           HA3      GLY 151   7.108   1.060   1.609
 1056    H    VAL 152           H        VAL 152   7.560   4.066   3.332
 1057    HA   VAL 152           HA       VAL 152   6.852   5.894   1.261
 1058    HB   VAL 152           HB       VAL 152   7.215   6.725   3.458
 1059   HG11  VAL 152          HG11      VAL 152  10.172   6.011   3.246
 1060   HG12  VAL 152          HG12      VAL 152   9.388   6.898   4.565
 1061   HG13  VAL 152          HG13      VAL 152   8.981   5.201   4.289
 1062   HG21  VAL 152          HG21      VAL 152   7.690   8.249   1.541
 1063   HG22  VAL 152          HG22      VAL 152   8.532   8.694   3.038
 1064   HG23  VAL 152          HG23      VAL 152   9.419   7.898   1.727
 1065    H    ILE 153           H        ILE 153   7.839   6.694  -0.516
 1066    HA   ILE 153           HA       ILE 153  10.180   5.199  -1.593
 1067    HB   ILE 153           HB       ILE 153   8.139   6.987  -2.981
 1068   HG12  ILE 153          HG12      ILE 153   8.266   3.971  -3.238
 1069   HG13  ILE 153          HG13      ILE 153   7.297   4.679  -1.980
 1070   HG21  ILE 153          HG21      ILE 153  10.335   5.170  -4.077
 1071   HG22  ILE 153          HG22      ILE 153   9.027   5.811  -5.078
 1072   HG23  ILE 153          HG23      ILE 153  10.149   6.925  -4.319
 1073   HD11  ILE 153          HD11      ILE 153   6.913   4.986  -4.960
 1074   HD12  ILE 153          HD12      ILE 153   5.812   4.292  -3.760
 1075   HD13  ILE 153          HD13      ILE 153   6.095   6.033  -3.771
 1076    H    LYS 154           H        LYS 154  11.910   6.369  -2.693
 1077    HA   LYS 154           HA       LYS 154  12.192   9.251  -1.919
 1078    HB2  LYS 154           HB2      LYS 154  14.327   7.086  -1.769
 1079    HB3  LYS 154           HB3      LYS 154  14.620   8.800  -1.530
 1080    HG2  LYS 154           HG2      LYS 154  12.818   7.125   0.294
 1081    HG3  LYS 154           HG3      LYS 154  14.539   7.360   0.526
 1082    HD2  LYS 154           HD2      LYS 154  13.669   8.908   1.968
 1083    HD3  LYS 154           HD3      LYS 154  14.067   9.896   0.563
 1084    HE2  LYS 154           HE2      LYS 154  11.659   9.819  -0.126
 1085    HE3  LYS 154           HE3      LYS 154  11.291   8.811   1.268
 1086    HZ1  LYS 154           HZ1      LYS 154  12.372  11.572   1.357
 1087    HZ2  LYS 154           HZ2      LYS 154  10.823  11.176   1.673
 1088    HZ3  LYS 154           HZ3      LYS 154  12.030  10.708   2.690
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1  12.402  -1.312 -15.176
    2    H2   ALA   1           H2       ALA   1  12.325  -0.250 -16.443
    3    H3   ALA   1           H3       ALA   1  11.203  -0.240 -15.244
    4    HA   ALA   1           HA       ALA   1  14.061   0.460 -14.965
    5    HB1  ALA   1           HB1      ALA   1  11.613   2.248 -14.573
    6    HB2  ALA   1           HB2      ALA   1  13.305   2.706 -14.404
    7    HB3  ALA   1           HB3      ALA   1  12.656   2.262 -16.004
    8    H    SER   2           H        SER   2  14.870   0.503 -12.783
    9    HA   SER   2           HA       SER   2  13.070  -1.217 -11.094
   10    HB2  SER   2           HB2      SER   2  16.081  -1.287 -11.154
   11    HB3  SER   2           HB3      SER   2  14.956  -2.537 -10.610
   12    HG   SER   2           HG       SER   2  14.495  -3.038 -12.755
   13    H    GLU   3           H        GLU   3  12.589  -0.767  -9.136
   14    HA   GLU   3           HA       GLU   3  14.346   0.893  -7.398
   15    HB2  GLU   3           HB2      GLU   3  12.563   2.342  -8.060
   16    HB3  GLU   3           HB3      GLU   3  11.373   1.028  -7.985
   17    HG2  GLU   3           HG2      GLU   3  10.939   2.496  -6.191
   18    HG3  GLU   3           HG3      GLU   3  11.571   0.979  -5.529
   19    H    LYS   4           H        LYS   4  14.414   0.087  -5.319
   20    HA   LYS   4           HA       LYS   4  12.963  -2.464  -4.719
   21    HB2  LYS   4           HB2      LYS   4  14.955  -3.313  -3.490
   22    HB3  LYS   4           HB3      LYS   4  15.062  -3.316  -5.248
   23    HG2  LYS   4           HG2      LYS   4  16.586  -1.431  -5.255
   24    HG3  LYS   4           HG3      LYS   4  16.348  -1.148  -3.533
   25    HD2  LYS   4           HD2      LYS   4  18.485  -2.217  -3.882
   26    HD3  LYS   4           HD3      LYS   4  17.413  -3.308  -2.994
   27    HE2  LYS   4           HE2      LYS   4  16.929  -4.553  -5.072
   28    HE3  LYS   4           HE3      LYS   4  17.945  -3.441  -6.000
   29    HZ1  LYS   4           HZ1      LYS   4  18.953  -5.189  -3.807
   30    HZ2  LYS   4           HZ2      LYS   4  19.060  -5.531  -5.406
   31    HZ3  LYS   4           HZ3      LYS   4  19.884  -4.268  -4.808
   32    H    VAL   5           H        VAL   5  11.383  -1.435  -3.545
   33    HA   VAL   5           HA       VAL   5  12.105   0.725  -1.739
   34    HB   VAL   5           HB       VAL   5   9.419  -0.682  -1.984
   35   HG11  VAL   5          HG11      VAL   5  10.287   1.939  -0.679
   36   HG12  VAL   5          HG12      VAL   5   8.597   1.515  -0.991
   37   HG13  VAL   5          HG13      VAL   5   9.555   0.537   0.127
   38   HG21  VAL   5          HG21      VAL   5   9.972   0.295  -4.126
   39   HG22  VAL   5          HG22      VAL   5   8.790   1.343  -3.337
   40   HG23  VAL   5          HG23      VAL   5  10.494   1.820  -3.355
   41    H    GLY   6           H        GLY   6  12.966   0.436   0.142
   42    HA2  GLY   6           HA2      GLY   6  12.823  -1.895   1.844
   43    HA3  GLY   6           HA3      GLY   6  13.375  -0.266   2.320
   44    H    MET   7           H        MET   7  10.898  -2.582   2.390
   45    HA   MET   7           HA       MET   7   8.875  -0.706   3.493
   46    HB2  MET   7           HB2      MET   7   8.669  -3.656   2.734
   47    HB3  MET   7           HB3      MET   7   7.339  -2.628   3.317
   48    HG2  MET   7           HG2      MET   7   8.039  -1.056   1.324
   49    HG3  MET   7           HG3      MET   7   8.860  -2.481   0.705
   50    HE1  MET   7           HE1      MET   7   5.757  -0.551   1.326
   51    HE2  MET   7           HE2      MET   7   4.383  -1.596   0.898
   52    HE3  MET   7           HE3      MET   7   5.269  -1.829   2.430
   53    H    ASN   8           H        ASN   8   8.192  -0.740   5.550
   54    HA   ASN   8           HA       ASN   8   9.658  -2.486   7.492
   55    HB2  ASN   8           HB2      ASN   8   9.257   0.513   7.508
   56    HB3  ASN   8           HB3      ASN   8   9.625  -0.407   8.976
   57   HD21  ASN   8          HD21      ASN   8  11.696  -0.103   9.519
   58   HD22  ASN   8          HD22      ASN   8  13.041  -0.258   8.395
   59    H    LEU   9           H        LEU   9   8.686  -2.972   9.400
   60    HA   LEU   9           HA       LEU   9   5.799  -3.195   9.558
   61    HB2  LEU   9           HB2      LEU   9   8.043  -3.458  11.614
   62    HB3  LEU   9           HB3      LEU   9   6.379  -3.951  11.906
   63    HG   LEU   9           HG       LEU   9   8.085  -5.158   9.672
   64   HD11  LEU   9          HD11      LEU   9   7.780  -6.044  12.560
   65   HD12  LEU   9          HD12      LEU   9   8.349  -7.107  11.267
   66   HD13  LEU   9          HD13      LEU   9   9.277  -5.646  11.670
   67   HD21  LEU   9          HD21      LEU   9   5.646  -5.458   9.397
   68   HD22  LEU   9          HD22      LEU   9   6.442  -6.989   9.778
   69   HD23  LEU   9          HD23      LEU   9   5.537  -6.127  11.040
   70    H    VAL  10           H        VAL  10   4.348  -1.944  10.800
   71    HA   VAL  10           HA       VAL  10   5.325   0.608  11.991
   72    HB   VAL  10           HB       VAL  10   3.502   1.855  10.826
   73   HG11  VAL  10          HG11      VAL  10   5.459   0.682   8.842
   74   HG12  VAL  10          HG12      VAL  10   4.612   2.252   8.794
   75   HG13  VAL  10          HG13      VAL  10   5.837   1.949  10.026
   76   HG21  VAL  10          HG21      VAL  10   2.000   0.031  10.153
   77   HG22  VAL  10          HG22      VAL  10   2.498   0.981   8.751
   78   HG23  VAL  10          HG23      VAL  10   3.234  -0.604   9.046
   79    H    THR  11           H        THR  11   3.914   1.671  13.285
   80    HA   THR  11           HA       THR  11   1.491   2.183  13.032
   81    HB   THR  11           HB       THR  11   0.643  -0.127  13.056
   82    HG1  THR  11           HG1      THR  11  -1.094   0.483  14.497
   83   HG21  THR  11          HG21      THR  11   0.858   0.024  16.097
   84   HG22  THR  11          HG22      THR  11   0.278  -1.327  15.097
   85   HG23  THR  11          HG23      THR  11   1.999  -0.901  15.109
   86    H    ALA  12           H        ALA  12   1.231   3.914  14.138
   87    HA   ALA  12           HA       ALA  12   0.841   5.401  15.781
   88    HB1  ALA  12           HB1      ALA  12   0.869   2.985  17.636
   89    HB2  ALA  12           HB2      ALA  12   0.142   4.575  17.955
   90    HB3  ALA  12           HB3      ALA  12  -0.512   3.549  16.671
   91    H    GLN  13           H        GLN  13   3.535   3.277  16.703
   92    HA   GLN  13           HA       GLN  13   4.943   5.470  18.151
   93    HB2  GLN  13           HB2      GLN  13   5.550   2.546  17.525
   94    HB3  GLN  13           HB3      GLN  13   6.719   3.652  18.270
   95    HG2  GLN  13           HG2      GLN  13   4.824   1.990  19.552
   96    HG3  GLN  13           HG3      GLN  13   6.074   3.035  20.257
   97   HE21  GLN  13          HE21      GLN  13   2.647   2.839  19.333
   98   HE22  GLN  13          HE22      GLN  13   2.275   4.419  20.042
   99    H    GLY  14           H        GLY  14   4.551   4.460  14.927
  100    HA2  GLY  14           HA2      GLY  14   5.473   5.920  13.187
  101    HA3  GLY  14           HA3      GLY  14   7.028   5.915  14.065
  102    H    VAL  15           H        VAL  15   8.188   5.135  12.368
  103    HA   VAL  15           HA       VAL  15   7.535   2.574  11.048
  104    HB   VAL  15           HB       VAL  15   9.865   4.488  10.615
  105   HG11  VAL  15          HG11      VAL  15   8.918   2.073   9.029
  106   HG12  VAL  15          HG12      VAL  15  10.165   3.213   8.472
  107   HG13  VAL  15          HG13      VAL  15  10.468   2.211   9.893
  108   HG21  VAL  15          HG21      VAL  15   7.752   5.542   9.935
  109   HG22  VAL  15          HG22      VAL  15   8.688   5.082   8.509
  110   HG23  VAL  15          HG23      VAL  15   7.307   4.086   9.014
  111    H    GLY  16           H        GLY  16   8.395   0.689  11.595
  112    HA2  GLY  16           HA2      GLY  16  10.398   0.493  13.786
  113    HA3  GLY  16           HA3      GLY  16   9.288  -0.757  13.144
  114    H    GLN  17           H        GLN  17  10.511  -2.355  12.698
  115    HA   GLN  17           HA       GLN  17  13.091  -2.201  11.390
  116    HB2  GLN  17           HB2      GLN  17  11.998  -3.842  13.284
  117    HB3  GLN  17           HB3      GLN  17  11.502  -4.735  11.852
  118    HG2  GLN  17           HG2      GLN  17  14.140  -4.323  11.242
  119    HG3  GLN  17           HG3      GLN  17  14.161  -4.196  13.021
  120   HE21  GLN  17          HE21      GLN  17  13.486  -6.343  10.213
  121   HE22  GLN  17          HE22      GLN  17  13.357  -7.802  11.192
  122    H    SER  18           H        SER  18  13.589  -3.269   9.409
  123    HA   SER  18           HA       SER  18  11.316  -3.761   7.565
  124    HB2  SER  18           HB2      SER  18  13.095  -2.255   6.707
  125    HB3  SER  18           HB3      SER  18  14.275  -3.556   6.937
  126    HG   SER  18           HG       SER  18  11.989  -3.490   5.201
  127    H    ILE  19           H        ILE  19  10.893  -5.640   6.672
  128    HA   ILE  19           HA       ILE  19  12.330  -8.084   7.681
  129    HB   ILE  19           HB       ILE  19  10.105  -9.202   7.496
  130   HG12  ILE  19          HG12      ILE  19   8.700  -6.527   7.515
  131   HG13  ILE  19          HG13      ILE  19   9.280  -7.128   5.952
  132   HG21  ILE  19          HG21      ILE  19  10.212  -6.849   9.425
  133   HG22  ILE  19          HG22      ILE  19   9.197  -8.296   9.581
  134   HG23  ILE  19          HG23      ILE  19  10.959  -8.443   9.656
  135   HD11  ILE  19          HD11      ILE  19   7.354  -8.574   7.785
  136   HD12  ILE  19          HD12      ILE  19   7.022  -7.831   6.205
  137   HD13  ILE  19          HD13      ILE  19   8.077  -9.253   6.296
  138    H    GLY  20           H        GLY  20  12.343  -6.330   5.095
  139    HA2  GLY  20           HA2      GLY  20  12.982  -7.969   3.008
  140    HA3  GLY  20           HA3      GLY  20  11.222  -8.030   3.021
  141    H    THR  21           H        THR  21  13.126  -6.778   1.056
  142    HA   THR  21           HA       THR  21  11.804  -4.100   0.958
  143    HB   THR  21           HB       THR  21  13.155  -3.495  -0.892
  144    HG1  THR  21           HG1      THR  21  13.381  -5.889  -1.631
  145   HG21  THR  21          HG21      THR  21  15.112  -4.840   1.002
  146   HG22  THR  21          HG22      THR  21  15.308  -3.348   0.062
  147   HG23  THR  21          HG23      THR  21  14.212  -3.391   1.453
  148    H    VAL  22           H        VAL  22  10.816  -3.695  -1.241
  149    HA   VAL  22           HA       VAL  22   9.796  -6.184  -2.563
  150    HB   VAL  22           HB       VAL  22   8.219  -3.606  -2.103
  151   HG11  VAL  22          HG11      VAL  22   7.615  -6.092  -3.760
  152   HG12  VAL  22          HG12      VAL  22   6.390  -4.963  -3.256
  153   HG13  VAL  22          HG13      VAL  22   7.684  -4.410  -4.330
  154   HG21  VAL  22          HG21      VAL  22   8.183  -5.045  -0.119
  155   HG22  VAL  22          HG22      VAL  22   6.624  -5.200  -0.946
  156   HG23  VAL  22          HG23      VAL  22   7.849  -6.466  -1.114
  157    H    VAL  23           H        VAL  23  10.243  -6.250  -4.691
  158    HA   VAL  23           HA       VAL  23  11.685  -3.917  -5.790
  159    HB   VAL  23           HB       VAL  23  12.632  -6.126  -6.097
  160   HG11  VAL  23          HG11      VAL  23  11.938  -7.589  -7.933
  161   HG12  VAL  23          HG12      VAL  23  10.968  -7.621  -6.474
  162   HG13  VAL  23          HG13      VAL  23  10.367  -6.762  -7.937
  163   HG21  VAL  23          HG21      VAL  23  13.249  -4.211  -7.552
  164   HG22  VAL  23          HG22      VAL  23  13.375  -5.749  -8.413
  165   HG23  VAL  23          HG23      VAL  23  11.981  -4.689  -8.705
  166    H    ILE  24           H        ILE  24  10.922  -2.527  -7.130
  167    HA   ILE  24           HA       ILE  24   8.301  -2.933  -8.519
  168    HB   ILE  24           HB       ILE  24   9.564  -0.344  -7.493
  169   HG12  ILE  24          HG12      ILE  24   7.262  -2.040  -6.557
  170   HG13  ILE  24          HG13      ILE  24   8.443  -1.309  -5.572
  171   HG21  ILE  24          HG21      ILE  24   6.997  -0.792  -9.077
  172   HG22  ILE  24          HG22      ILE  24   7.636   0.772  -8.500
  173   HG23  ILE  24          HG23      ILE  24   8.495  -0.100  -9.746
  174   HD11  ILE  24          HD11      ILE  24   6.107   0.123  -6.814
  175   HD12  ILE  24          HD12      ILE  24   6.511  -0.145  -5.115
  176   HD13  ILE  24          HD13      ILE  24   7.501   0.965  -6.073
  177    H    ASP  25           H        ASP  25   8.906  -3.607 -10.517
  178    HA   ASP  25           HA       ASP  25  10.999  -1.962 -11.853
  179    HB2  ASP  25           HB2      ASP  25  11.484  -4.388 -11.437
  180    HB3  ASP  25           HB3      ASP  25  10.444  -4.727 -12.847
  181    H    GLU  26           H        GLU  26  10.165  -0.595 -12.901
  182    HA   GLU  26           HA       GLU  26   7.518  -0.282 -13.892
  183    HB2  GLU  26           HB2      GLU  26   9.806   1.289 -13.590
  184    HB3  GLU  26           HB3      GLU  26   9.650   1.217 -15.350
  185    HG2  GLU  26           HG2      GLU  26   7.693   2.237 -13.328
  186    HG3  GLU  26           HG3      GLU  26   8.607   3.148 -14.506
  187    H    THR  27           H        THR  27   6.595  -0.489 -15.953
  188    HA   THR  27           HA       THR  27   8.283  -0.932 -18.218
  189    HB   THR  27           HB       THR  27   8.453  -3.183 -17.398
  190    HG1  THR  27           HG1      THR  27   7.799  -4.266 -19.136
  191   HG21  THR  27          HG21      THR  27   5.425  -3.214 -17.270
  192   HG22  THR  27          HG22      THR  27   6.411  -4.695 -17.326
  193   HG23  THR  27          HG23      THR  27   6.605  -3.570 -15.989
  194    H    GLU  28           H        GLU  28   6.836  -1.647 -20.141
  195    HA   GLU  28           HA       GLU  28   5.032   0.552 -20.598
  196    HB2  GLU  28           HB2      GLU  28   6.534  -0.664 -22.186
  197    HB3  GLU  28           HB3      GLU  28   5.404  -2.025 -22.167
  198    HG2  GLU  28           HG2      GLU  28   3.746  -0.719 -23.342
  199    HG3  GLU  28           HG3      GLU  28   4.525   0.810 -22.901
  200    H    GLY  29           H        GLY  29   4.634  -2.680 -19.307
  201    HA2  GLY  29           HA2      GLY  29   1.695  -2.387 -19.076
  202    HA3  GLY  29           HA3      GLY  29   2.642  -3.841 -18.619
  203    H    GLY  30           H        GLY  30   3.896  -0.909 -17.560
  204    HA2  GLY  30           HA2      GLY  30   3.849   0.451 -15.740
  205    HA3  GLY  30           HA3      GLY  30   2.378  -0.309 -15.145
  206    H    LEU  31           H        LEU  31   3.328  -0.004 -13.114
  207    HA   LEU  31           HA       LEU  31   5.891  -0.872 -12.336
  208    HB2  LEU  31           HB2      LEU  31   3.364  -0.284 -10.741
  209    HB3  LEU  31           HB3      LEU  31   4.954  -0.452  -9.988
  210    HG   LEU  31           HG       LEU  31   4.250   1.637 -12.103
  211   HD11  LEU  31          HD11      LEU  31   4.388   1.914  -9.065
  212   HD12  LEU  31          HD12      LEU  31   4.193   3.253 -10.216
  213   HD13  LEU  31          HD13      LEU  31   2.923   2.025 -10.067
  214   HD21  LEU  31          HD21      LEU  31   6.717   1.038 -11.801
  215   HD22  LEU  31          HD22      LEU  31   6.268   2.744 -11.584
  216   HD23  LEU  31          HD23      LEU  31   6.575   1.730 -10.173
  217    H    LYS  32           H        LYS  32   6.557  -2.957 -12.526
  218    HA   LYS  32           HA       LYS  32   4.831  -5.188 -11.773
  219    HB2  LYS  32           HB2      LYS  32   6.586  -5.113 -13.699
  220    HB3  LYS  32           HB3      LYS  32   7.776  -5.424 -12.429
  221    HG2  LYS  32           HG2      LYS  32   6.132  -7.390 -11.746
  222    HG3  LYS  32           HG3      LYS  32   5.421  -7.092 -13.340
  223    HD2  LYS  32           HD2      LYS  32   6.921  -8.884 -13.609
  224    HD3  LYS  32           HD3      LYS  32   7.706  -7.478 -14.352
  225    HE2  LYS  32           HE2      LYS  32   9.119  -7.190 -12.342
  226    HE3  LYS  32           HE3      LYS  32   8.260  -8.527 -11.529
  227    HZ1  LYS  32           HZ1      LYS  32   9.857  -8.806 -14.011
  228    HZ2  LYS  32           HZ2      LYS  32  10.357  -9.273 -12.518
  229    HZ3  LYS  32           HZ3      LYS  32   9.081 -10.022 -13.248
  230    H    PHE  33           H        PHE  33   4.461  -5.485  -9.735
  231    HA   PHE  33           HA       PHE  33   6.309  -4.723  -7.567
  232    HB2  PHE  33           HB2      PHE  33   3.790  -4.144  -7.919
  233    HB3  PHE  33           HB3      PHE  33   3.471  -5.806  -7.407
  234    HD1  PHE  33           HD1      PHE  33   5.268  -2.708  -6.492
  235    HD2  PHE  33           HD2      PHE  33   3.177  -6.172  -5.056
  236    HE1  PHE  33           HE1      PHE  33   5.419  -1.829  -4.156
  237    HE2  PHE  33           HE2      PHE  33   3.239  -5.250  -2.748
  238    HZ   PHE  33           HZ       PHE  33   4.380  -3.097  -2.285
  239    H    THR  34           H        THR  34   7.838  -6.428  -7.010
  240    HA   THR  34           HA       THR  34   6.609  -9.146  -6.664
  241    HB   THR  34           HB       THR  34   9.493  -8.735  -7.395
  242    HG1  THR  34           HG1      THR  34   7.896  -8.140  -8.984
  243   HG21  THR  34          HG21      THR  34   7.686 -11.174  -7.182
  244   HG22  THR  34          HG22      THR  34   9.299 -11.171  -7.930
  245   HG23  THR  34          HG23      THR  34   9.119 -10.803  -6.207
  246    HA   PRO  35           HA       PRO  35   8.029  -7.968  -2.552
  247    HB2  PRO  35           HB2      PRO  35   6.603  -9.769  -1.086
  248    HB3  PRO  35           HB3      PRO  35   5.815  -8.376  -1.892
  249    HG2  PRO  35           HG2      PRO  35   6.092 -11.233  -2.873
  250    HG3  PRO  35           HG3      PRO  35   4.590 -10.262  -2.797
  251    HD2  PRO  35           HD2      PRO  35   6.082 -10.510  -5.065
  252    HD3  PRO  35           HD3      PRO  35   5.229  -8.982  -4.669
  253    H    HIS  36           H        HIS  36   9.276  -8.978  -0.853
  254    HA   HIS  36           HA       HIS  36   9.996 -11.763  -0.997
  255    HB2  HIS  36           HB2      HIS  36  12.411 -11.491  -1.348
  256    HB3  HIS  36           HB3      HIS  36  11.435 -11.133  -2.769
  257    HD1  HIS  36           HD1      HIS  36  14.422 -10.009  -1.474
  258    HD2  HIS  36           HD2      HIS  36  10.969  -8.170  -2.927
  259    HE1  HIS  36           HE1      HIS  36  15.164  -7.674  -2.261
  260    H    LEU  37           H        LEU  37   8.675 -10.837   0.926
  261    HA   LEU  37           HA       LEU  37  10.523 -10.148   3.174
  262    HB2  LEU  37           HB2      LEU  37   7.605  -9.581   3.488
  263    HB3  LEU  37           HB3      LEU  37   9.033  -8.836   4.208
  264    HG   LEU  37           HG       LEU  37   9.355  -7.934   1.671
  265   HD11  LEU  37          HD11      LEU  37   6.330  -8.262   2.039
  266   HD12  LEU  37          HD12      LEU  37   7.118  -7.375   0.740
  267   HD13  LEU  37          HD13      LEU  37   7.322  -9.132   0.860
  268   HD21  LEU  37          HD21      LEU  37   9.247  -6.594   3.703
  269   HD22  LEU  37          HD22      LEU  37   8.226  -5.881   2.437
  270   HD23  LEU  37          HD23      LEU  37   7.483  -6.788   3.781
  271    H    LYS  38           H        LYS  38  10.107 -11.049   5.205
  272    HA   LYS  38           HA       LYS  38   8.818 -13.758   5.000
  273    HB2  LYS  38           HB2      LYS  38  10.912 -14.756   5.783
  274    HB3  LYS  38           HB3      LYS  38  11.076 -13.929   4.260
  275    HG2  LYS  38           HG2      LYS  38  11.747 -11.981   6.271
  276    HG3  LYS  38           HG3      LYS  38  12.456 -13.512   6.807
  277    HD2  LYS  38           HD2      LYS  38  14.069 -12.279   5.456
  278    HD3  LYS  38           HD3      LYS  38  13.579 -13.735   4.565
  279    HE2  LYS  38           HE2      LYS  38  11.920 -12.370   3.281
  280    HE3  LYS  38           HE3      LYS  38  12.400 -10.944   4.206
  281    HZ1  LYS  38           HZ1      LYS  38  14.129 -12.435   2.296
  282    HZ2  LYS  38           HZ2      LYS  38  13.473 -10.963   2.084
  283    HZ3  LYS  38           HZ3      LYS  38  14.653 -11.206   3.243
  284    H    ALA  39           H        ALA  39   7.604 -11.783   6.547
  285    HA   ALA  39           HA       ALA  39   7.529 -13.222   9.110
  286    HB1  ALA  39           HB1      ALA  39   8.257 -10.275   9.019
  287    HB2  ALA  39           HB2      ALA  39   8.069 -11.262  10.481
  288    HB3  ALA  39           HB3      ALA  39   9.403 -11.587   9.358
  289    H    LEU  40           H        LEU  40   5.559 -12.511   6.912
  290    HA   LEU  40           HA       LEU  40   3.676 -10.816   8.495
  291    HB2  LEU  40           HB2      LEU  40   2.697 -10.895   5.772
  292    HB3  LEU  40           HB3      LEU  40   3.121  -9.641   6.846
  293    HG   LEU  40           HG       LEU  40   5.583  -9.917   6.005
  294   HD11  LEU  40          HD11      LEU  40   4.249 -11.526   3.811
  295   HD12  LEU  40          HD12      LEU  40   5.955 -11.100   3.927
  296   HD13  LEU  40          HD13      LEU  40   5.259 -12.261   5.065
  297   HD21  LEU  40          HD21      LEU  40   4.014  -8.144   5.185
  298   HD22  LEU  40          HD22      LEU  40   5.101  -8.710   3.906
  299   HD23  LEU  40          HD23      LEU  40   3.417  -9.282   3.948
  300    HA   PRO  41           HA       PRO  41   0.816 -13.806   8.755
  301    HB2  PRO  41           HB2      PRO  41  -1.694 -12.584   8.225
  302    HB3  PRO  41           HB3      PRO  41  -0.813 -12.584   9.774
  303    HG2  PRO  41           HG2      PRO  41  -0.753 -10.554   7.580
  304    HG3  PRO  41           HG3      PRO  41  -0.895 -10.269   9.346
  305    HD2  PRO  41           HD2      PRO  41   1.485  -9.994   8.185
  306    HD3  PRO  41           HD3      PRO  41   1.318 -10.957   9.698
  307    HA   PRO  42           HA       PRO  42   0.816 -15.411   4.742
  308    HB2  PRO  42           HB2      PRO  42   0.438 -18.042   5.262
  309    HB3  PRO  42           HB3      PRO  42   1.583 -17.110   6.256
  310    HG2  PRO  42           HG2      PRO  42  -1.380 -17.516   6.902
  311    HG3  PRO  42           HG3      PRO  42   0.007 -18.095   7.860
  312    HD2  PRO  42           HD2      PRO  42  -1.087 -15.629   8.316
  313    HD3  PRO  42           HD3      PRO  42   0.690 -15.885   8.398
  314    H    GLY  43           H        GLY  43  -1.379 -13.989   4.770
  315    HA2  GLY  43           HA2      GLY  43  -3.541 -15.679   3.559
  316    HA3  GLY  43           HA3      GLY  43  -3.829 -14.138   4.398
  317    H    GLU  44           H        GLU  44  -4.737 -13.019   2.892
  318    HA   GLU  44           HA       GLU  44  -3.178 -12.174   0.505
  319    HB2  GLU  44           HB2      GLU  44  -6.221 -12.442   0.712
  320    HB3  GLU  44           HB3      GLU  44  -5.340 -11.790  -0.671
  321    HG2  GLU  44           HG2      GLU  44  -4.350 -13.970  -1.149
  322    HG3  GLU  44           HG3      GLU  44  -5.108 -14.669   0.304
  323    H    HIS  45           H        HIS  45  -2.927 -10.055   0.364
  324    HA   HIS  45           HA       HIS  45  -4.115  -8.235   2.425
  325    HB2  HIS  45           HB2      HIS  45  -1.296  -9.089   1.639
  326    HB3  HIS  45           HB3      HIS  45  -1.504  -7.518   2.379
  327    HD1  HIS  45           HD1      HIS  45  -2.737  -7.669   4.927
  328    HD2  HIS  45           HD2      HIS  45  -1.588 -11.268   3.117
  329    HE1  HIS  45           HE1      HIS  45  -2.901  -9.483   6.760
  330    HE2  HIS  45           HE2      HIS  45  -2.059 -11.669   5.670
  331    H    GLY  46           H        GLY  46  -4.885  -6.390   1.481
  332    HA2  GLY  46           HA2      GLY  46  -4.539  -5.549  -1.122
  333    HA3  GLY  46           HA3      GLY  46  -4.908  -4.443   0.221
  334    H    PHE  47           H        PHE  47  -3.257  -3.902  -2.150
  335    HA   PHE  47           HA       PHE  47  -0.897  -2.801  -0.705
  336    HB2  PHE  47           HB2      PHE  47   0.328  -4.315  -1.824
  337    HB3  PHE  47           HB3      PHE  47  -0.930  -4.648  -3.014
  338    HD1  PHE  47           HD1      PHE  47   1.470  -1.850  -2.162
  339    HD2  PHE  47           HD2      PHE  47  -0.329  -4.318  -5.189
  340    HE1  PHE  47           HE1      PHE  47   2.908  -0.775  -3.943
  341    HE2  PHE  47           HE2      PHE  47   1.021  -3.151  -6.945
  342    HZ   PHE  47           HZ       PHE  47   2.578  -1.349  -6.304
  343    H    HIS  48           H        HIS  48  -1.147  -0.609  -0.785
  344    HA   HIS  48           HA       HIS  48  -2.121   0.579  -3.417
  345    HB2  HIS  48           HB2      HIS  48  -2.124   1.758  -0.581
  346    HB3  HIS  48           HB3      HIS  48  -2.652   2.641  -2.004
  347    HD2  HIS  48           HD2      HIS  48  -4.398   0.002  -3.140
  348    HE1  HIS  48           HE1      HIS  48  -6.773   0.845   0.255
  349    HE2  HIS  48           HE2      HIS  48  -6.698  -0.256  -2.023
  350    H    ILE  49           H        ILE  49  -1.523   2.702  -3.936
  351    HA   ILE  49           HA       ILE  49   1.073   3.795  -2.908
  352    HB   ILE  49           HB       ILE  49  -0.374   4.299  -5.535
  353   HG12  ILE  49          HG12      ILE  49   2.543   3.502  -5.121
  354   HG13  ILE  49          HG13      ILE  49   1.262   2.283  -5.244
  355   HG21  ILE  49          HG21      ILE  49   2.018   5.803  -4.363
  356   HG22  ILE  49          HG22      ILE  49   1.412   5.986  -6.022
  357   HG23  ILE  49          HG23      ILE  49   0.403   6.474  -4.675
  358   HD11  ILE  49          HD11      ILE  49   1.954   4.310  -7.408
  359   HD12  ILE  49          HD12      ILE  49   2.306   2.575  -7.408
  360   HD13  ILE  49          HD13      ILE  49   0.624   3.137  -7.476
  361    H    HIS  50           H        HIS  50   1.021   5.698  -1.939
  362    HA   HIS  50           HA       HIS  50  -1.546   7.055  -1.342
  363    HB2  HIS  50           HB2      HIS  50   0.741   6.181   0.461
  364    HB3  HIS  50           HB3      HIS  50  -0.255   7.564   0.873
  365    HD1  HIS  50           HD1      HIS  50  -1.634   6.761   2.814
  366    HD2  HIS  50           HD2      HIS  50  -1.690   4.150  -0.443
  367    HE1  HIS  50           HE1      HIS  50  -3.246   4.897   3.470
  368    H    ALA  51           H        ALA  51  -1.103   9.379  -0.534
  369    HA   ALA  51           HA       ALA  51   0.195  10.726  -2.675
  370    HB1  ALA  51           HB1      ALA  51  -0.946  11.718  -0.042
  371    HB2  ALA  51           HB2      ALA  51  -0.512  12.762  -1.409
  372    HB3  ALA  51           HB3      ALA  51  -1.819  11.569  -1.571
  373    H    ASN  52           H        ASN  52   1.114  10.979   0.751
  374    HA   ASN  52           HA       ASN  52   3.681  12.201  -0.135
  375    HB2  ASN  52           HB2      ASN  52   2.675  11.924   2.704
  376    HB3  ASN  52           HB3      ASN  52   3.916  13.014   2.104
  377   HD21  ASN  52          HD21      ASN  52   1.055  13.259   3.418
  378   HD22  ASN  52          HD22      ASN  52   0.297  14.477   2.393
  379    H    GLY  53           H        GLY  53   5.729  11.440   0.341
  380    HA2  GLY  53           HA2      GLY  53   6.191   8.684   1.188
  381    HA3  GLY  53           HA3      GLY  53   7.410   9.937   0.884
  382    H    SER  54           H        SER  54   4.786   9.238   3.225
  383    HA   SER  54           HA       SER  54   6.539   9.918   5.553
  384    HB2  SER  54           HB2      SER  54   3.960  11.360   4.841
  385    HB3  SER  54           HB3      SER  54   4.826  11.523   6.371
  386    HG   SER  54           HG       SER  54   5.220  13.191   4.804
  387    H    CYS  55           H        CYS  55   6.124   7.460   5.822
  388    HA   CYS  55           HA       CYS  55   3.637   6.399   6.439
  389    HB2  CYS  55           HB2      CYS  55   6.380   5.620   7.490
  390    HB3  CYS  55           HB3      CYS  55   4.967   4.585   7.398
  391    H    GLN  56           H        GLN  56   4.523   8.926   8.208
  392    HA   GLN  56           HA       GLN  56   4.484   7.903  10.921
  393    HB2  GLN  56           HB2      GLN  56   4.245  10.731   9.787
  394    HB3  GLN  56           HB3      GLN  56   4.232  10.372  11.503
  395    HG2  GLN  56           HG2      GLN  56   6.445  11.015  11.026
  396    HG3  GLN  56           HG3      GLN  56   6.486   9.274  11.270
  397   HE21  GLN  56          HE21      GLN  56   8.614   9.377  10.091
  398   HE22  GLN  56          HE22      GLN  56   8.543   9.446   8.336
  399    HA   PRO  57           HA       PRO  57   0.052   7.983  11.689
  400    HB2  PRO  57           HB2      PRO  57  -0.039   8.459  14.383
  401    HB3  PRO  57           HB3      PRO  57   0.490   6.893  13.704
  402    HG2  PRO  57           HG2      PRO  57   2.220   9.209  14.617
  403    HG3  PRO  57           HG3      PRO  57   2.393   7.472  15.019
  404    HD2  PRO  57           HD2      PRO  57   3.854   8.621  13.052
  405    HD3  PRO  57           HD3      PRO  57   3.225   6.952  12.879
  406    H    ALA  58           H        ALA  58  -1.632   9.489  12.047
  407    HA   ALA  58           HA       ALA  58  -0.867  12.364  12.209
  408    HB1  ALA  58           HB1      ALA  58  -3.515  11.000  11.522
  409    HB2  ALA  58           HB2      ALA  58  -3.204  12.749  11.497
  410    HB3  ALA  58           HB3      ALA  58  -2.357  11.689  10.357
  411    H    ILE  59           H        ILE  59  -1.731  13.732  13.843
  412    HA   ILE  59           HA       ILE  59  -2.698  12.363  16.321
  413    HB   ILE  59           HB       ILE  59  -1.991  15.283  15.852
  414   HG12  ILE  59          HG12      ILE  59   0.050  14.006  15.665
  415   HG13  ILE  59          HG13      ILE  59   0.029  14.843  17.203
  416   HG21  ILE  59          HG21      ILE  59  -2.682  13.741  18.394
  417   HG22  ILE  59          HG22      ILE  59  -2.009  15.387  18.359
  418   HG23  ILE  59          HG23      ILE  59  -3.597  15.070  17.658
  419   HD11  ILE  59          HD11      ILE  59  -0.506  11.866  16.776
  420   HD12  ILE  59          HD12      ILE  59   0.944  12.601  17.470
  421   HD13  ILE  59          HD13      ILE  59  -0.589  12.699  18.349
  422    H    LYS  60           H        LYS  60  -4.723  11.836  16.237
  423    HA   LYS  60           HA       LYS  60  -6.866  13.604  15.224
  424    HB2  LYS  60           HB2      LYS  60  -5.667  12.824  13.250
  425    HB3  LYS  60           HB3      LYS  60  -5.739  11.157  13.793
  426    HG2  LYS  60           HG2      LYS  60  -8.161  11.089  13.421
  427    HG3  LYS  60           HG3      LYS  60  -8.172  12.829  13.064
  428    HD2  LYS  60           HD2      LYS  60  -6.577  12.400  11.157
  429    HD3  LYS  60           HD3      LYS  60  -6.722  10.661  11.471
  430    HE2  LYS  60           HE2      LYS  60  -9.134  10.758  10.984
  431    HE3  LYS  60           HE3      LYS  60  -9.045  12.515  10.765
  432    HZ1  LYS  60           HZ1      LYS  60  -7.604  10.516   9.100
  433    HZ2  LYS  60           HZ2      LYS  60  -8.971  11.373   8.643
  434    HZ3  LYS  60           HZ3      LYS  60  -7.555  12.137   8.893
  435    H    ASP  61           H        ASP  61  -8.911  12.922  15.895
  436    HA   ASP  61           HA       ASP  61 -10.336  12.069  17.433
  437    HB2  ASP  61           HB2      ASP  61 -10.238  10.394  15.508
  438    HB3  ASP  61           HB3      ASP  61  -9.294   9.348  16.570
  439    H    GLY  62           H        GLY  62  -7.963  12.851  18.666
  440    HA2  GLY  62           HA2      GLY  62  -7.133  12.899  20.822
  441    HA3  GLY  62           HA3      GLY  62  -8.190  11.533  21.235
  442    H    GLN  63           H        GLN  63  -6.099  10.756  18.562
  443    HA   GLN  63           HA       GLN  63  -4.020   9.632  20.341
  444    HB2  GLN  63           HB2      GLN  63  -4.524   7.330  19.739
  445    HB3  GLN  63           HB3      GLN  63  -5.908   8.092  20.502
  446    HG2  GLN  63           HG2      GLN  63  -6.668   8.535  17.972
  447    HG3  GLN  63           HG3      GLN  63  -5.569   7.202  17.638
  448   HE21  GLN  63          HE21      GLN  63  -8.657   8.168  19.058
  449   HE22  GLN  63          HE22      GLN  63  -9.208   6.538  19.411
  450    H    ALA  64           H        ALA  64  -2.404   8.262  19.080
  451    HA   ALA  64           HA       ALA  64  -1.603   9.703  16.635
  452    HB1  ALA  64           HB1      ALA  64  -0.235   7.521  18.276
  453    HB2  ALA  64           HB2      ALA  64   0.484   8.402  16.917
  454    HB3  ALA  64           HB3      ALA  64   0.056   9.270  18.403
  455    H    VAL  65           H        VAL  65  -2.997   9.089  15.038
  456    HA   VAL  65           HA       VAL  65  -3.973   6.379  14.813
  457    HB   VAL  65           HB       VAL  65  -4.324   8.663  12.838
  458   HG11  VAL  65          HG11      VAL  65  -5.825   6.008  13.169
  459   HG12  VAL  65          HG12      VAL  65  -6.321   7.338  12.105
  460   HG13  VAL  65          HG13      VAL  65  -4.828   6.464  11.775
  461   HG21  VAL  65          HG21      VAL  65  -5.234   9.201  15.070
  462   HG22  VAL  65          HG22      VAL  65  -6.554   8.879  13.939
  463   HG23  VAL  65          HG23      VAL  65  -6.085   7.644  15.124
  464    H    ALA  66           H        ALA  66  -2.169   5.172  14.668
  465    HA   ALA  66           HA       ALA  66  -0.947   3.575  13.618
  466    HB1  ALA  66           HB1      ALA  66  -3.033   4.166  11.479
  467    HB2  ALA  66           HB2      ALA  66  -2.048   2.684  11.587
  468    HB3  ALA  66           HB3      ALA  66  -3.197   3.087  12.874
  469    H    ALA  67           H        ALA  67  -1.527   5.266  10.616
  470    HA   ALA  67           HA       ALA  67   1.093   6.263  10.042
  471    HB1  ALA  67           HB1      ALA  67   0.390   3.529   8.870
  472    HB2  ALA  67           HB2      ALA  67   1.696   4.584   8.289
  473    HB3  ALA  67           HB3      ALA  67   1.769   3.923   9.926
  474    H    GLU  68           H        GLU  68   0.113   8.052   9.144
  475    HA   GLU  68           HA       GLU  68  -1.915   7.753   7.001
  476    HB2  GLU  68           HB2      GLU  68  -2.957   7.568   9.351
  477    HB3  GLU  68           HB3      GLU  68  -2.628   9.282   9.532
  478    HG2  GLU  68           HG2      GLU  68  -4.142   9.859   7.766
  479    HG3  GLU  68           HG3      GLU  68  -4.151   8.215   7.122
  480    H    ALA  69           H        ALA  69   0.533   9.754   8.532
  481    HA   ALA  69           HA       ALA  69  -0.011  12.240   7.232
  482    HB1  ALA  69           HB1      ALA  69   2.626  10.961   8.077
  483    HB2  ALA  69           HB2      ALA  69   2.349  12.686   7.763
  484    HB3  ALA  69           HB3      ALA  69   1.553  11.902   9.142
  485    H    ALA  70           H        ALA  70   0.887   9.258   5.894
  486    HA   ALA  70           HA       ALA  70   2.016   9.970   3.404
  487    HB1  ALA  70           HB1      ALA  70   0.112   7.703   4.120
  488    HB2  ALA  70           HB2      ALA  70   1.213   7.771   2.719
  489    HB3  ALA  70           HB3      ALA  70   1.879   7.688   4.353
  490    H    GLY  71           H        GLY  71  -0.814  11.227   4.577
  491    HA2  GLY  71           HA2      GLY  71  -1.830  12.970   3.404
  492    HA3  GLY  71           HA3      GLY  71  -1.521  12.179   1.865
  493    H    GLY  72           H        GLY  72  -2.877  10.230   4.344
  494    HA2  GLY  72           HA2      GLY  72  -5.150   9.494   4.694
  495    HA3  GLY  72           HA3      GLY  72  -5.651  10.349   3.210
  496    H    HIS  73           H        HIS  73  -5.969   9.077   1.501
  497    HA   HIS  73           HA       HIS  73  -4.201   6.697   0.986
  498    HB2  HIS  73           HB2      HIS  73  -7.051   7.372   0.265
  499    HB3  HIS  73           HB3      HIS  73  -6.091   6.518  -0.913
  500    HD2  HIS  73           HD2      HIS  73  -5.650   5.673   2.795
  501    HE1  HIS  73           HE1      HIS  73  -8.125   2.565   1.298
  502    HE2  HIS  73           HE2      HIS  73  -6.779   3.409   3.297
  503    H    LEU  74           H        LEU  74  -5.775   8.508  -1.557
  504    HA   LEU  74           HA       LEU  74  -3.729  10.392  -2.127
  505    HB2  LEU  74           HB2      LEU  74  -2.266   8.716  -2.807
  506    HB3  LEU  74           HB3      LEU  74  -3.485   7.735  -3.552
  507    HG   LEU  74           HG       LEU  74  -3.628   9.263  -5.467
  508   HD11  LEU  74          HD11      LEU  74  -1.453  10.888  -4.085
  509   HD12  LEU  74          HD12      LEU  74  -2.055  11.136  -5.733
  510   HD13  LEU  74          HD13      LEU  74  -3.124  11.430  -4.354
  511   HD21  LEU  74          HD21      LEU  74  -1.963   7.436  -5.445
  512   HD22  LEU  74          HD22      LEU  74  -1.406   8.829  -6.388
  513   HD23  LEU  74          HD23      LEU  74  -0.759   8.549  -4.756
  514    H    ASP  75           H        ASP  75  -5.617  11.506  -1.935
  515    HA   ASP  75           HA       ASP  75  -7.876  10.793  -3.728
  516    HB2  ASP  75           HB2      ASP  75  -8.042  11.970  -0.947
  517    HB3  ASP  75           HB3      ASP  75  -9.269  11.078  -1.849
  518    HA   PRO  76           HA       PRO  76  -6.661  15.247  -4.381
  519    HB2  PRO  76           HB2      PRO  76  -6.460  15.359  -7.110
  520    HB3  PRO  76           HB3      PRO  76  -5.175  14.698  -6.055
  521    HG2  PRO  76           HG2      PRO  76  -7.317  13.166  -7.569
  522    HG3  PRO  76           HG3      PRO  76  -5.555  12.843  -7.508
  523    HD2  PRO  76           HD2      PRO  76  -7.300  11.506  -5.897
  524    HD3  PRO  76           HD3      PRO  76  -5.679  12.003  -5.326
  525    H    GLN  77           H        GLN  77  -9.138  13.581  -6.400
  526    HA   GLN  77           HA       GLN  77 -11.067  15.769  -6.171
  527    HB2  GLN  77           HB2      GLN  77  -9.676  15.079  -8.807
  528    HB3  GLN  77           HB3      GLN  77 -11.188  15.968  -8.732
  529    HG2  GLN  77           HG2      GLN  77  -8.577  17.005  -7.612
  530    HG3  GLN  77           HG3      GLN  77  -9.299  17.423  -9.146
  531   HE21  GLN  77          HE21      GLN  77  -9.391  18.078  -5.725
  532   HE22  GLN  77          HE22      GLN  77 -10.507  19.429  -5.880
  533    H    ASN  78           H        ASN  78 -12.435  14.767  -8.601
  534    HA   ASN  78           HA       ASN  78 -13.781  13.248  -9.459
  535    HB2  ASN  78           HB2      ASN  78 -12.277  11.132  -7.874
  536    HB3  ASN  78           HB3      ASN  78 -13.406  10.850  -9.186
  537   HD21  ASN  78          HD21      ASN  78 -10.728   9.954  -9.157
  538   HD22  ASN  78          HD22      ASN  78  -9.876  10.779 -10.471
  539    H    THR  79           H        THR  79 -13.330  12.301  -6.081
  540    HA   THR  79           HA       THR  79 -15.858  12.790  -5.009
  541    HB   THR  79           HB       THR  79 -16.909  11.287  -6.562
  542    HG1  THR  79           HG1      THR  79 -16.755  10.861  -3.893
  543   HG21  THR  79          HG21      THR  79 -14.995   9.136  -5.555
  544   HG22  THR  79          HG22      THR  79 -16.431   8.858  -6.564
  545   HG23  THR  79          HG23      THR  79 -15.074   9.790  -7.204
  546    H    GLY  80           H        GLY  80 -12.810  11.101  -4.845
  547    HA2  GLY  80           HA2      GLY  80 -11.519  10.527  -3.030
  548    HA3  GLY  80           HA3      GLY  80 -12.462  11.768  -2.188
  549    H    LYS  81           H        LYS  81 -13.307   8.447  -3.305
  550    HA   LYS  81           HA       LYS  81 -13.851   7.664  -0.499
  551    HB2  LYS  81           HB2      LYS  81 -16.153   7.128  -0.843
  552    HB3  LYS  81           HB3      LYS  81 -15.885   8.816  -1.262
  553    HG2  LYS  81           HG2      LYS  81 -15.918   8.259  -3.658
  554    HG3  LYS  81           HG3      LYS  81 -16.104   6.537  -3.292
  555    HD2  LYS  81           HD2      LYS  81 -18.270   6.960  -2.204
  556    HD3  LYS  81           HD3      LYS  81 -18.080   8.709  -2.473
  557    HE2  LYS  81           HE2      LYS  81 -18.003   8.321  -4.925
  558    HE3  LYS  81           HE3      LYS  81 -18.239   6.591  -4.680
  559    HZ1  LYS  81           HZ1      LYS  81 -20.158   8.629  -3.715
  560    HZ2  LYS  81           HZ2      LYS  81 -20.270   7.945  -5.197
  561    HZ3  LYS  81           HZ3      LYS  81 -20.429   7.021  -3.837
  562    H    HIS  82           H        HIS  82 -12.096   6.710  -2.813
  563    HA   HIS  82           HA       HIS  82 -10.951   4.759  -3.007
  564    HB2  HIS  82           HB2      HIS  82 -12.106   3.989  -0.849
  565    HB3  HIS  82           HB3      HIS  82 -13.217   3.103  -1.892
  566    HD2  HIS  82           HD2      HIS  82 -12.561   0.678  -2.252
  567    HE1  HIS  82           HE1      HIS  82  -8.384   0.832  -1.654
  568    HE2  HIS  82           HE2      HIS  82 -10.332  -0.678  -2.128
  569    H    GLU  83           H        GLU  83 -11.139   2.608  -4.265
  570    HA   GLU  83           HA       GLU  83 -12.902   2.744  -6.632
  571    HB2  GLU  83           HB2      GLU  83 -11.090   4.559  -6.587
  572    HB3  GLU  83           HB3      GLU  83  -9.901   3.276  -6.730
  573    HG2  GLU  83           HG2      GLU  83 -10.863   2.621  -8.909
  574    HG3  GLU  83           HG3      GLU  83 -12.114   3.858  -8.723
  575    H    GLY  84           H        GLY  84 -13.001   0.632  -5.079
  576    HA2  GLY  84           HA2      GLY  84 -10.927  -1.393  -5.810
  577    HA3  GLY  84           HA3      GLY  84 -12.049  -1.476  -4.441
  578    HA   PRO  85           HA       PRO  85 -14.753  -3.643  -7.378
  579    HB2  PRO  85           HB2      PRO  85 -17.259  -3.227  -6.493
  580    HB3  PRO  85           HB3      PRO  85 -16.006  -3.897  -5.407
  581    HG2  PRO  85           HG2      PRO  85 -17.010  -1.044  -5.563
  582    HG3  PRO  85           HG3      PRO  85 -16.675  -2.037  -4.115
  583    HD2  PRO  85           HD2      PRO  85 -14.910  -0.184  -5.281
  584    HD3  PRO  85           HD3      PRO  85 -14.421  -1.523  -4.200
  585    H    GLU  86           H        GLU  86 -15.320  -0.156  -7.423
  586    HA   GLU  86           HA       GLU  86 -15.929   0.124 -10.144
  587    HB2  GLU  86           HB2      GLU  86 -18.307   0.832  -9.965
  588    HB3  GLU  86           HB3      GLU  86 -18.082  -0.894  -9.781
  589    HG2  GLU  86           HG2      GLU  86 -18.399  -0.760  -7.371
  590    HG3  GLU  86           HG3      GLU  86 -18.424   1.008  -7.425
  591    H    GLY  87           H        GLY  87 -16.848   2.473 -10.455
  592    HA2  GLY  87           HA2      GLY  87 -16.946   4.730  -9.859
  593    HA3  GLY  87           HA3      GLY  87 -16.334   4.333  -8.241
  594    H    GLN  88           H        GLN  88 -15.009   6.219  -8.441
  595    HA   GLN  88           HA       GLN  88 -12.461   5.866  -9.883
  596    HB2  GLN  88           HB2      GLN  88 -14.153   6.758 -11.503
  597    HB3  GLN  88           HB3      GLN  88 -14.370   8.173 -10.485
  598    HG2  GLN  88           HG2      GLN  88 -12.935   8.432 -12.570
  599    HG3  GLN  88           HG3      GLN  88 -12.223   9.029 -11.087
  600   HE21  GLN  88          HE21      GLN  88 -10.529   7.673 -10.042
  601   HE22  GLN  88          HE22      GLN  88  -9.718   6.450 -10.938
  602    H    GLY  89           H        GLY  89 -13.111   5.982  -7.048
  603    HA2  GLY  89           HA2      GLY  89 -12.629   8.742  -6.155
  604    HA3  GLY  89           HA3      GLY  89 -13.205   7.362  -5.194
  605    H    HIS  90           H        HIS  90 -10.275   6.718  -6.929
  606    HA   HIS  90           HA       HIS  90  -8.234   7.991  -5.678
  607    HB2  HIS  90           HB2      HIS  90  -8.616   7.450  -3.497
  608    HB3  HIS  90           HB3      HIS  90  -9.211   5.849  -3.867
  609    HD2  HIS  90           HD2      HIS  90  -5.625   7.223  -4.680
  610    HE1  HIS  90           HE1      HIS  90  -5.140   3.965  -2.005
  611    HE2  HIS  90           HE2      HIS  90  -3.934   5.695  -3.419
  612    H    LEU  91           H        LEU  91  -7.254   7.754  -7.570
  613    HA   LEU  91           HA       LEU  91  -6.967   5.321  -8.993
  614    HB2  LEU  91           HB2      LEU  91  -5.440   6.647 -10.453
  615    HB3  LEU  91           HB3      LEU  91  -7.032   7.322 -10.187
  616    HG   LEU  91           HG       LEU  91  -6.146   9.017  -8.664
  617   HD11  LEU  91          HD11      LEU  91  -3.412   7.761  -9.167
  618   HD12  LEU  91          HD12      LEU  91  -3.674   9.368  -8.451
  619   HD13  LEU  91          HD13      LEU  91  -4.247   7.935  -7.602
  620   HD21  LEU  91          HD21      LEU  91  -6.234   9.450 -11.092
  621   HD22  LEU  91          HD22      LEU  91  -4.894  10.319 -10.327
  622   HD23  LEU  91          HD23      LEU  91  -4.572   8.846 -11.267
  623    H    GLY  92           H        GLY  92  -5.483   5.757  -6.174
  624    HA2  GLY  92           HA2      GLY  92  -3.012   4.225  -6.898
  625    HA3  GLY  92           HA3      GLY  92  -3.251   5.118  -5.384
  626    H    ASP  93           H        ASP  93  -6.184   3.602  -6.059
  627    HA   ASP  93           HA       ASP  93  -5.702   1.313  -4.338
  628    HB2  ASP  93           HB2      ASP  93  -8.105   2.038  -6.043
  629    HB3  ASP  93           HB3      ASP  93  -8.048   0.751  -4.844
  630    H    LEU  94           H        LEU  94  -5.588  -0.870  -5.020
  631    HA   LEU  94           HA       LEU  94  -4.314  -1.291  -7.664
  632    HB2  LEU  94           HB2      LEU  94  -3.097  -0.159  -5.236
  633    HB3  LEU  94           HB3      LEU  94  -2.354  -1.690  -5.625
  634    HG   LEU  94           HG       LEU  94  -1.429  -0.954  -7.563
  635   HD11  LEU  94          HD11      LEU  94  -3.045   1.619  -7.473
  636   HD12  LEU  94          HD12      LEU  94  -1.724   1.280  -8.604
  637   HD13  LEU  94          HD13      LEU  94  -3.205   0.322  -8.681
  638   HD21  LEU  94          HD21      LEU  94  -0.421  -0.155  -5.437
  639   HD22  LEU  94          HD22      LEU  94   0.025   0.770  -6.878
  640   HD23  LEU  94          HD23      LEU  94  -1.181   1.423  -5.752
  641    HA   PRO  95           HA       PRO  95  -5.090  -5.461  -6.882
  642    HB2  PRO  95           HB2      PRO  95  -2.928  -6.965  -7.631
  643    HB3  PRO  95           HB3      PRO  95  -3.881  -5.984  -8.790
  644    HG2  PRO  95           HG2      PRO  95  -1.296  -5.230  -7.392
  645    HG3  PRO  95           HG3      PRO  95  -1.686  -5.103  -9.135
  646    HD2  PRO  95           HD2      PRO  95  -1.895  -3.009  -7.428
  647    HD3  PRO  95           HD3      PRO  95  -3.060  -3.211  -8.777
  648    H    VAL  96           H        VAL  96  -4.824  -7.372  -5.589
  649    HA   VAL  96           HA       VAL  96  -3.810  -6.732  -2.925
  650    HB   VAL  96           HB       VAL  96  -5.321  -9.157  -3.922
  651   HG11  VAL  96          HG11      VAL  96  -5.042  -8.295  -1.063
  652   HG12  VAL  96          HG12      VAL  96  -5.876  -9.713  -1.685
  653   HG13  VAL  96          HG13      VAL  96  -4.112  -9.630  -1.791
  654   HG21  VAL  96          HG21      VAL  96  -6.680  -7.155  -4.198
  655   HG22  VAL  96          HG22      VAL  96  -7.283  -8.074  -2.822
  656   HG23  VAL  96          HG23      VAL  96  -6.282  -6.628  -2.551
  657    H    LEU  97           H        LEU  97  -2.035  -7.360  -2.084
  658    HA   LEU  97           HA       LEU  97   0.082  -8.918  -3.270
  659    HB2  LEU  97           HB2      LEU  97  -0.386  -7.049  -1.065
  660    HB3  LEU  97           HB3      LEU  97   0.261  -8.501  -0.381
  661    HG   LEU  97           HG       LEU  97   1.554  -6.855  -2.586
  662   HD11  LEU  97          HD11      LEU  97   2.163  -7.169   0.402
  663   HD12  LEU  97          HD12      LEU  97   3.188  -6.296  -0.745
  664   HD13  LEU  97          HD13      LEU  97   1.550  -5.701  -0.390
  665   HD21  LEU  97          HD21      LEU  97   2.191  -9.223  -2.722
  666   HD22  LEU  97          HD22      LEU  97   3.521  -8.259  -2.063
  667   HD23  LEU  97          HD23      LEU  97   2.504  -9.242  -0.962
  668    H    VAL  98           H        VAL  98  -0.054 -11.149  -3.348
  669    HA   VAL  98           HA       VAL  98  -1.575 -12.647  -1.284
  670    HB   VAL  98           HB       VAL  98  -0.018 -13.604  -3.710
  671   HG11  VAL  98          HG11      VAL  98  -1.625 -15.214  -1.659
  672   HG12  VAL  98          HG12      VAL  98  -1.032 -15.843  -3.211
  673   HG13  VAL  98          HG13      VAL  98   0.120 -15.356  -1.966
  674   HG21  VAL  98          HG21      VAL  98  -2.165 -12.507  -4.242
  675   HG22  VAL  98          HG22      VAL  98  -2.307 -14.251  -4.491
  676   HG23  VAL  98          HG23      VAL  98  -2.997 -13.505  -3.032
  677    H    VAL  99           H        VAL  99  -0.634 -13.874   0.311
  678    HA   VAL  99           HA       VAL  99   2.326 -13.699   0.717
  679    HB   VAL  99           HB       VAL  99   0.184 -13.771   2.904
  680   HG11  VAL  99          HG11      VAL  99   3.134 -13.145   2.964
  681   HG12  VAL  99          HG12      VAL  99   2.027 -12.988   4.341
  682   HG13  VAL  99          HG13      VAL  99   2.359 -14.597   3.622
  683   HG21  VAL  99          HG21      VAL  99   0.031 -11.564   1.782
  684   HG22  VAL  99          HG22      VAL  99   0.647 -11.505   3.448
  685   HG23  VAL  99          HG23      VAL  99   1.767 -11.318   2.074
  686    H    ASN 100           H        ASN 100   3.175 -15.814   0.696
  687    HA   ASN 100           HA       ASN 100   1.377 -17.977   0.284
  688    HB2  ASN 100           HB2      ASN 100   3.160 -19.090  -0.403
  689    HB3  ASN 100           HB3      ASN 100   4.072 -17.611  -0.160
  690   HD21  ASN 100          HD21      ASN 100   5.446 -17.469   1.669
  691   HD22  ASN 100          HD22      ASN 100   5.896 -18.928   2.593
  692    H    ASN 101           H        ASN 101   0.974 -19.835   1.484
  693    HA   ASN 101           HA       ASN 101  -0.180 -19.492   3.914
  694    HB2  ASN 101           HB2      ASN 101  -0.821 -21.682   3.777
  695    HB3  ASN 101           HB3      ASN 101  -0.473 -21.291   2.096
  696   HD21  ASN 101          HD21      ASN 101   2.529 -21.517   2.378
  697   HD22  ASN 101          HD22      ASN 101   2.843 -23.124   2.939
  698    H    ASP 102           H        ASP 102   3.187 -19.658   3.789
  699    HA   ASP 102           HA       ASP 102   3.414 -20.681   6.585
  700    HB2  ASP 102           HB2      ASP 102   4.569 -21.760   4.265
  701    HB3  ASP 102           HB3      ASP 102   5.876 -20.838   4.988
  702    H    GLY 103           H        GLY 103   3.400 -17.804   5.041
  703    HA2  GLY 103           HA2      GLY 103   3.607 -15.868   6.332
  704    HA3  GLY 103           HA3      GLY 103   4.881 -16.600   7.322
  705    H    ILE 104           H        ILE 104   5.203 -16.703   3.866
  706    HA   ILE 104           HA       ILE 104   7.057 -14.351   3.835
  707    HB   ILE 104           HB       ILE 104   7.458 -17.038   2.422
  708   HG12  ILE 104          HG12      ILE 104   9.336 -15.835   4.475
  709   HG13  ILE 104          HG13      ILE 104   8.076 -16.957   4.927
  710   HG21  ILE 104          HG21      ILE 104   9.299 -14.615   2.331
  711   HG22  ILE 104          HG22      ILE 104   9.544 -16.165   1.514
  712   HG23  ILE 104          HG23      ILE 104   8.224 -15.133   1.014
  713   HD11  ILE 104          HD11      ILE 104  10.406 -17.548   3.067
  714   HD12  ILE 104          HD12      ILE 104  10.128 -18.174   4.698
  715   HD13  ILE 104          HD13      ILE 104   9.051 -18.662   3.375
  716    H    ALA 105           H        ALA 105   6.696 -12.976   2.167
  717    HA   ALA 105           HA       ALA 105   4.694 -13.761   0.076
  718    HB1  ALA 105           HB1      ALA 105   5.587 -10.992   1.002
  719    HB2  ALA 105           HB2      ALA 105   4.437 -11.345  -0.312
  720    HB3  ALA 105           HB3      ALA 105   4.026 -11.769   1.350
  721    H    THR 106           H        THR 106   5.588 -14.373  -1.732
  722    HA   THR 106           HA       THR 106   7.907 -12.892  -2.870
  723    HB   THR 106           HB       THR 106   8.826 -14.949  -1.940
  724    HG1  THR 106           HG1      THR 106   8.596 -14.481  -4.661
  725   HG21  THR 106          HG21      THR 106   6.949 -16.404  -3.862
  726   HG22  THR 106          HG22      THR 106   8.306 -17.133  -2.971
  727   HG23  THR 106          HG23      THR 106   6.916 -16.485  -2.091
  728    H    GLU 107           H        GLU 107   4.756 -13.608  -3.198
  729    HA   GLU 107           HA       GLU 107   4.525 -14.475  -5.881
  730    HB2  GLU 107           HB2      GLU 107   2.525 -13.349  -3.887
  731    HB3  GLU 107           HB3      GLU 107   2.097 -14.050  -5.443
  732    HG2  GLU 107           HG2      GLU 107   1.757 -15.702  -3.717
  733    HG3  GLU 107           HG3      GLU 107   3.052 -16.215  -4.793
  734    HA   PRO 108           HA       PRO 108   4.853 -10.283  -7.538
  735    HB2  PRO 108           HB2      PRO 108   5.060 -10.821 -10.209
  736    HB3  PRO 108           HB3      PRO 108   6.368 -11.191  -9.051
  737    HG2  PRO 108           HG2      PRO 108   4.240 -13.077 -10.103
  738    HG3  PRO 108           HG3      PRO 108   6.012 -13.344 -10.014
  739    HD2  PRO 108           HD2      PRO 108   4.300 -14.275  -8.098
  740    HD3  PRO 108           HD3      PRO 108   5.937 -13.685  -7.685
  741    H    VAL 109           H        VAL 109   3.597  -8.733  -8.419
  742    HA   VAL 109           HA       VAL 109   1.257  -9.349 -10.110
  743    HB   VAL 109           HB       VAL 109  -0.242  -7.819  -8.935
  744   HG11  VAL 109          HG11      VAL 109   0.659 -10.008  -7.028
  745   HG12  VAL 109          HG12      VAL 109  -0.933  -9.230  -7.105
  746   HG13  VAL 109          HG13      VAL 109  -0.386 -10.244  -8.450
  747   HG21  VAL 109          HG21      VAL 109   1.282  -6.348  -7.756
  748   HG22  VAL 109          HG22      VAL 109   0.189  -7.103  -6.595
  749   HG23  VAL 109          HG23      VAL 109   1.858  -7.687  -6.731
  750    H    THR 110           H        THR 110   0.328  -7.022 -10.901
  751    HA   THR 110           HA       THR 110   2.562  -5.074 -11.250
  752    HB   THR 110           HB       THR 110   0.900  -6.152 -13.558
  753    HG1  THR 110           HG1      THR 110   2.787  -7.179 -14.146
  754   HG21  THR 110          HG21      THR 110   3.374  -4.345 -13.509
  755   HG22  THR 110          HG22      THR 110   2.595  -4.987 -14.961
  756   HG23  THR 110          HG23      THR 110   1.730  -3.839 -13.943
  757    H    ALA 111           H        ALA 111   1.908  -2.979 -11.345
  758    HA   ALA 111           HA       ALA 111  -1.035  -2.415 -11.302
  759    HB1  ALA 111           HB1      ALA 111   1.279  -0.787 -10.208
  760    HB2  ALA 111           HB2      ALA 111  -0.432  -0.327 -10.165
  761    HB3  ALA 111           HB3      ALA 111   0.131  -1.757  -9.270
  762    HA   PRO 112           HA       PRO 112   0.422  -1.104 -15.462
  763    HB2  PRO 112           HB2      PRO 112  -1.934  -1.390 -16.847
  764    HB3  PRO 112           HB3      PRO 112  -0.874  -2.762 -16.415
  765    HG2  PRO 112           HG2      PRO 112  -3.309  -1.759 -14.909
  766    HG3  PRO 112           HG3      PRO 112  -2.936  -3.440 -15.420
  767    HD2  PRO 112           HD2      PRO 112  -2.385  -2.603 -12.918
  768    HD3  PRO 112           HD3      PRO 112  -1.226  -3.650 -13.793
  769    H    ARG 113           H        ARG 113  -1.713   0.429 -13.337
  770    HA   ARG 113           HA       ARG 113  -2.834   2.560 -14.833
  771    HB2  ARG 113           HB2      ARG 113  -1.863   2.406 -11.954
  772    HB3  ARG 113           HB3      ARG 113  -2.778   3.760 -12.618
  773    HG2  ARG 113           HG2      ARG 113  -4.712   2.183 -13.001
  774    HG3  ARG 113           HG3      ARG 113  -3.777   0.927 -12.136
  775    HD2  ARG 113           HD2      ARG 113  -3.483   2.524 -10.219
  776    HD3  ARG 113           HD3      ARG 113  -4.432   3.720 -11.081
  777    HE   ARG 113           HE       ARG 113  -5.396   1.437  -9.545
  778   HH11  ARG 113          HH11      ARG 113  -6.374   4.013 -11.843
  779   HH12  ARG 113          HH12      ARG 113  -7.955   4.080 -11.050
  780   HH21  ARG 113          HH21      ARG 113  -7.463   1.632  -8.764
  781   HH22  ARG 113          HH22      ARG 113  -8.536   2.813  -9.515
  782    H    LEU 114           H        LEU 114   0.466   2.106 -13.727
  783    HA   LEU 114           HA       LEU 114   1.208   4.984 -14.164
  784    HB2  LEU 114           HB2      LEU 114   2.367   2.768 -12.426
  785    HB3  LEU 114           HB3      LEU 114   3.221   4.263 -12.760
  786    HG   LEU 114           HG       LEU 114   2.321   4.396 -10.585
  787   HD11  LEU 114          HD11      LEU 114   0.610   6.186 -12.330
  788   HD12  LEU 114          HD12      LEU 114   1.089   6.446 -10.635
  789   HD13  LEU 114          HD13      LEU 114   2.315   6.443 -11.908
  790   HD21  LEU 114          HD21      LEU 114   0.405   2.766 -10.894
  791   HD22  LEU 114          HD22      LEU 114   0.080   4.198  -9.897
  792   HD23  LEU 114          HD23      LEU 114  -0.516   4.148 -11.557
  793    H    LYS 115           H        LYS 115   3.338   5.337 -14.992
  794    HA   LYS 115           HA       LYS 115   4.501   3.324 -16.811
  795    HB2  LYS 115           HB2      LYS 115   2.355   4.893 -17.659
  796    HB3  LYS 115           HB3      LYS 115   3.668   5.949 -18.047
  797    HG2  LYS 115           HG2      LYS 115   3.094   4.606 -19.989
  798    HG3  LYS 115           HG3      LYS 115   4.714   4.163 -19.448
  799    HD2  LYS 115           HD2      LYS 115   3.408   2.190 -20.108
  800    HD3  LYS 115           HD3      LYS 115   3.867   2.119 -18.414
  801    HE2  LYS 115           HE2      LYS 115   1.478   3.198 -18.003
  802    HE3  LYS 115           HE3      LYS 115   1.132   2.611 -19.640
  803    HZ1  LYS 115           HZ1      LYS 115   2.087   1.043 -17.333
  804    HZ2  LYS 115           HZ2      LYS 115   0.557   1.008 -17.898
  805    HZ3  LYS 115           HZ3      LYS 115   1.801   0.403 -18.842
  806    H    SER 116           H        SER 116   5.451   4.882 -14.537
  807    HA   SER 116           HA       SER 116   8.138   5.050 -15.275
  808    HB2  SER 116           HB2      SER 116   6.832   7.765 -15.332
  809    HB3  SER 116           HB3      SER 116   8.507   7.567 -14.797
  810    HG   SER 116           HG       SER 116   7.483   6.586 -17.232
  811    H    LEU 117           H        LEU 117   9.568   5.268 -13.390
  812    HA   LEU 117           HA       LEU 117   8.324   5.322 -10.751
  813    HB2  LEU 117           HB2      LEU 117  11.218   5.515 -11.702
  814    HB3  LEU 117           HB3      LEU 117  10.778   5.938 -10.064
  815    HG   LEU 117           HG       LEU 117  11.598   3.828  -9.865
  816   HD11  LEU 117          HD11      LEU 117   8.594   3.349  -9.914
  817   HD12  LEU 117          HD12      LEU 117   9.806   2.466  -8.984
  818   HD13  LEU 117          HD13      LEU 117   9.487   4.163  -8.602
  819   HD21  LEU 117          HD21      LEU 117  11.666   3.048 -12.129
  820   HD22  LEU 117          HD22      LEU 117  10.856   1.853 -11.114
  821   HD23  LEU 117          HD23      LEU 117   9.883   2.919 -12.160
  822    H    ASP 118           H        ASP 118   9.571   7.782 -12.909
  823    HA   ASP 118           HA       ASP 118   9.633  10.079 -11.418
  824    HB2  ASP 118           HB2      ASP 118   8.334   9.718 -14.151
  825    HB3  ASP 118           HB3      ASP 118   8.997  11.205 -13.499
  826    H    GLU 119           H        GLU 119   6.783   8.135 -11.876
  827    HA   GLU 119           HA       GLU 119   4.904  10.298 -11.143
  828    HB2  GLU 119           HB2      GLU 119   4.360   7.367 -11.674
  829    HB3  GLU 119           HB3      GLU 119   3.193   8.706 -11.625
  830    HG2  GLU 119           HG2      GLU 119   4.578   9.729 -13.571
  831    HG3  GLU 119           HG3      GLU 119   5.320   8.140 -13.722
  832    H    VAL 120           H        VAL 120   6.852   8.092  -9.437
  833    HA   VAL 120           HA       VAL 120   5.143   8.363  -6.996
  834    HB   VAL 120           HB       VAL 120   5.863   6.098  -6.298
  835   HG11  VAL 120          HG11      VAL 120   4.320   6.107  -8.916
  836   HG12  VAL 120          HG12      VAL 120   4.316   4.838  -7.679
  837   HG13  VAL 120          HG13      VAL 120   3.650   6.435  -7.304
  838   HG21  VAL 120          HG21      VAL 120   7.886   5.903  -7.806
  839   HG22  VAL 120          HG22      VAL 120   6.800   4.502  -7.857
  840   HG23  VAL 120          HG23      VAL 120   6.773   5.685  -9.175
  841    H    LYS 121           H        LYS 121   7.776   9.567  -8.194
  842    HA   LYS 121           HA       LYS 121   9.970   8.925  -6.608
  843    HB2  LYS 121           HB2      LYS 121  10.914  11.010  -7.556
  844    HB3  LYS 121           HB3      LYS 121  10.089  10.020  -8.759
  845    HG2  LYS 121           HG2      LYS 121   8.106  11.505  -8.665
  846    HG3  LYS 121           HG3      LYS 121   8.877  12.483  -7.405
  847    HD2  LYS 121           HD2      LYS 121  10.595  13.237  -8.940
  848    HD3  LYS 121           HD3      LYS 121  10.114  12.045 -10.152
  849    HE2  LYS 121           HE2      LYS 121   9.310  14.211 -10.840
  850    HE3  LYS 121           HE3      LYS 121   7.940  13.162 -10.463
  851    HZ1  LYS 121           HZ1      LYS 121   9.037  15.225  -8.642
  852    HZ2  LYS 121           HZ2      LYS 121   7.688  15.401  -9.562
  853    HZ3  LYS 121           HZ3      LYS 121   7.678  14.308  -8.361
  854    H    ASP 122           H        ASP 122   7.349  10.346  -5.231
  855    HA   ASP 122           HA       ASP 122   8.835  11.373  -2.909
  856    HB2  ASP 122           HB2      ASP 122   8.631  13.281  -4.576
  857    HB3  ASP 122           HB3      ASP 122   6.881  13.177  -4.404
  858    H    LYS 123           H        LYS 123   7.173   9.100  -3.431
  859    HA   LYS 123           HA       LYS 123   4.653   9.625  -1.891
  860    HB2  LYS 123           HB2      LYS 123   5.120   7.757  -4.261
  861    HB3  LYS 123           HB3      LYS 123   3.648   7.855  -3.304
  862    HG2  LYS 123           HG2      LYS 123   3.709  10.415  -3.955
  863    HG3  LYS 123           HG3      LYS 123   4.781   9.885  -5.245
  864    HD2  LYS 123           HD2      LYS 123   3.056   8.384  -6.130
  865    HD3  LYS 123           HD3      LYS 123   2.065   8.609  -4.687
  866    HE2  LYS 123           HE2      LYS 123   1.053   9.877  -6.343
  867    HE3  LYS 123           HE3      LYS 123   1.808  11.020  -5.222
  868    HZ1  LYS 123           HZ1      LYS 123   2.945  10.264  -7.876
  869    HZ2  LYS 123           HZ2      LYS 123   2.293  11.729  -7.463
  870    HZ3  LYS 123           HZ3      LYS 123   3.667  11.235  -6.779
  871    H    ALA 124           H        ALA 124   3.657   7.461  -1.157
  872    HA   ALA 124           HA       ALA 124   5.729   5.552  -0.156
  873    HB1  ALA 124           HB1      ALA 124   3.243   6.535   1.314
  874    HB2  ALA 124           HB2      ALA 124   4.331   5.245   1.866
  875    HB3  ALA 124           HB3      ALA 124   4.931   6.900   1.738
  876    H    LEU 125           H        LEU 125   5.213   3.449  -0.144
  877    HA   LEU 125           HA       LEU 125   2.805   2.388  -1.518
  878    HB2  LEU 125           HB2      LEU 125   4.994   0.957   0.009
  879    HB3  LEU 125           HB3      LEU 125   3.832   0.215  -1.088
  880    HG   LEU 125           HG       LEU 125   6.141   2.045  -1.863
  881   HD11  LEU 125          HD11      LEU 125   5.735  -0.968  -2.045
  882   HD12  LEU 125          HD12      LEU 125   7.079  -0.090  -2.798
  883   HD13  LEU 125          HD13      LEU 125   6.902  -0.108  -1.034
  884   HD21  LEU 125          HD21      LEU 125   4.033   1.994  -3.445
  885   HD22  LEU 125          HD22      LEU 125   5.647   1.736  -4.122
  886   HD23  LEU 125          HD23      LEU 125   4.607   0.355  -3.836
  887    H    MET 126           H        MET 126   1.521   0.740  -0.213
  888    HA   MET 126           HA       MET 126   2.082   0.649   2.668
  889    HB2  MET 126           HB2      MET 126   0.489   2.571   2.384
  890    HB3  MET 126           HB3      MET 126  -0.726   1.442   1.779
  891    HG2  MET 126           HG2      MET 126  -0.752   0.246   3.890
  892    HG3  MET 126           HG3      MET 126   0.657   1.134   4.479
  893    HE1  MET 126           HE1      MET 126   0.211   4.159   3.948
  894    HE2  MET 126           HE2      MET 126  -0.626   4.608   5.448
  895    HE3  MET 126           HE3      MET 126   0.699   3.428   5.487
  896    H    ILE 127           H        ILE 127   1.995  -1.409   3.321
  897    HA   ILE 127           HA       ILE 127   0.395  -3.430   1.769
  898    HB   ILE 127           HB       ILE 127   2.185  -3.907   4.184
  899   HG12  ILE 127          HG12      ILE 127   2.682  -4.271   1.197
  900   HG13  ILE 127          HG13      ILE 127   3.538  -3.225   2.320
  901   HG21  ILE 127          HG21      ILE 127   0.803  -5.861   2.283
  902   HG22  ILE 127          HG22      ILE 127   1.874  -6.302   3.633
  903   HG23  ILE 127          HG23      ILE 127   0.329  -5.551   3.966
  904   HD11  ILE 127          HD11      ILE 127   3.685  -6.256   2.216
  905   HD12  ILE 127          HD12      ILE 127   4.959  -5.090   1.852
  906   HD13  ILE 127          HD13      ILE 127   4.391  -5.276   3.522
  907    H    HIS 128           H        HIS 128  -1.526  -3.796   2.226
  908    HA   HIS 128           HA       HIS 128  -2.776  -2.764   4.695
  909    HB2  HIS 128           HB2      HIS 128  -3.390  -2.850   1.796
  910    HB3  HIS 128           HB3      HIS 128  -4.759  -3.153   2.773
  911    HD1  HIS 128           HD1      HIS 128  -4.655  -1.083   5.035
  912    HD2  HIS 128           HD2      HIS 128  -3.272  -0.425   1.135
  913    HE1  HIS 128           HE1      HIS 128  -4.762   1.468   4.675
  914    H    VAL 129           H        VAL 129  -4.441  -3.931   5.764
  915    HA   VAL 129           HA       VAL 129  -3.353  -6.565   6.265
  916    HB   VAL 129           HB       VAL 129  -5.395  -4.826   7.579
  917   HG11  VAL 129          HG11      VAL 129  -4.680  -7.635   8.535
  918   HG12  VAL 129          HG12      VAL 129  -5.503  -6.405   9.517
  919   HG13  VAL 129          HG13      VAL 129  -6.300  -7.047   8.081
  920   HG21  VAL 129          HG21      VAL 129  -2.938  -4.377   7.819
  921   HG22  VAL 129          HG22      VAL 129  -3.688  -4.780   9.373
  922   HG23  VAL 129          HG23      VAL 129  -2.725  -5.992   8.507
  923    H    GLY 130           H        GLY 130  -6.279  -5.529   4.603
  924    HA2  GLY 130           HA2      GLY 130  -6.801  -8.413   3.952
  925    HA3  GLY 130           HA3      GLY 130  -8.135  -7.295   4.260
  926    H    GLY 131           H        GLY 131  -7.773  -8.692   1.844
  927    HA2  GLY 131           HA2      GLY 131  -6.736  -7.055  -0.245
  928    HA3  GLY 131           HA3      GLY 131  -7.909  -8.366  -0.429
  929    H    ASP 132           H        ASP 132  -7.686  -5.775  -1.721
  930    HA   ASP 132           HA       ASP 132  -9.107  -3.824  -0.174
  931    HB2  ASP 132           HB2      ASP 132  -6.853  -3.648  -1.206
  932    HB3  ASP 132           HB3      ASP 132  -7.589  -3.722  -2.810
  933    H    ASN 133           H        ASN 133 -10.207  -5.750  -2.737
  934    HA   ASN 133           HA       ASN 133 -11.838  -4.019  -4.279
  935    HB2  ASN 133           HB2      ASN 133 -11.258  -6.251  -4.976
  936    HB3  ASN 133           HB3      ASN 133 -11.985  -6.967  -3.535
  937   HD21  ASN 133          HD21      ASN 133 -12.946  -4.973  -6.442
  938   HD22  ASN 133          HD22      ASN 133 -14.482  -5.812  -6.590
  939    H    MET 134           H        MET 134 -12.340  -5.155  -1.023
  940    HA   MET 134           HA       MET 134 -15.251  -5.163  -1.108
  941    HB2  MET 134           HB2      MET 134 -13.266  -5.620   1.152
  942    HB3  MET 134           HB3      MET 134 -15.014  -5.871   1.270
  943    HG2  MET 134           HG2      MET 134 -14.929  -7.531  -0.554
  944    HG3  MET 134           HG3      MET 134 -13.181  -7.347  -0.667
  945    HE1  MET 134           HE1      MET 134 -12.022  -7.251   2.189
  946    HE2  MET 134           HE2      MET 134 -11.807  -8.981   2.539
  947    HE3  MET 134           HE3      MET 134 -11.444  -8.348   0.922
  948    H    SER 135           H        SER 135 -15.055  -2.710  -1.795
  949    HA   SER 135           HA       SER 135 -15.849  -1.232   0.702
  950    HB2  SER 135           HB2      SER 135 -16.006   0.788  -0.588
  951    HB3  SER 135           HB3      SER 135 -14.393   0.090  -0.697
  952    HG   SER 135           HG       SER 135 -16.411  -0.220  -2.689
  953    H    ASP 136           H        ASP 136 -17.877   0.291  -0.967
  954    HA   ASP 136           HA       ASP 136 -20.090   0.263  -1.285
  955    HB2  ASP 136           HB2      ASP 136 -19.310  -1.031  -3.290
  956    HB3  ASP 136           HB3      ASP 136 -19.761  -2.518  -2.455
  957    H    GLN 137           H        GLN 137 -19.426  -0.221   1.257
  958    HA   GLN 137           HA       GLN 137 -21.714  -1.458   2.461
  959    HB2  GLN 137           HB2      GLN 137 -20.584  -3.310   3.590
  960    HB3  GLN 137           HB3      GLN 137 -20.378  -3.493   1.858
  961    HG2  GLN 137           HG2      GLN 137 -18.071  -2.337   2.161
  962    HG3  GLN 137           HG3      GLN 137 -18.331  -2.538   3.895
  963   HE21  GLN 137          HE21      GLN 137 -17.943  -4.278   0.811
  964   HE22  GLN 137          HE22      GLN 137 -17.527  -5.822   1.585
  965    HA   PRO 138           HA       PRO 138 -20.348   1.428   5.518
  966    HB2  PRO 138           HB2      PRO 138 -21.488   0.573   7.863
  967    HB3  PRO 138           HB3      PRO 138 -22.420   1.228   6.483
  968    HG2  PRO 138           HG2      PRO 138 -21.895  -1.685   7.154
  969    HG3  PRO 138           HG3      PRO 138 -23.463  -0.905   6.760
  970    HD2  PRO 138           HD2      PRO 138 -22.030  -2.228   4.880
  971    HD3  PRO 138           HD3      PRO 138 -22.902  -0.722   4.471
  972    H    LYS 139           H        LYS 139 -19.265  -1.916   6.016
  973    HA   LYS 139           HA       LYS 139 -17.313  -1.190   8.077
  974    HB2  LYS 139           HB2      LYS 139 -17.595  -3.610   6.253
  975    HB3  LYS 139           HB3      LYS 139 -16.198  -3.357   7.302
  976    HG2  LYS 139           HG2      LYS 139 -17.738  -3.218   9.283
  977    HG3  LYS 139           HG3      LYS 139 -19.084  -3.656   8.212
  978    HD2  LYS 139           HD2      LYS 139 -17.928  -5.783   7.642
  979    HD3  LYS 139           HD3      LYS 139 -16.573  -5.340   8.701
  980    HE2  LYS 139           HE2      LYS 139 -18.131  -5.261  10.651
  981    HE3  LYS 139           HE3      LYS 139 -19.465  -5.717   9.586
  982    HZ1  LYS 139           HZ1      LYS 139 -17.093  -7.439  10.081
  983    HZ2  LYS 139           HZ2      LYS 139 -18.531  -7.611  10.816
  984    HZ3  LYS 139           HZ3      LYS 139 -18.397  -7.831   9.185
  985    HA   PRO 140           HA       PRO 140 -14.928   1.015   4.962
  986    HB2  PRO 140           HB2      PRO 140 -12.690   1.681   6.421
  987    HB3  PRO 140           HB3      PRO 140 -14.271   2.505   6.575
  988    HG2  PRO 140           HG2      PRO 140 -13.147   0.288   8.313
  989    HG3  PRO 140           HG3      PRO 140 -13.932   1.814   8.831
  990    HD2  PRO 140           HD2      PRO 140 -15.297  -0.531   8.717
  991    HD3  PRO 140           HD3      PRO 140 -16.080   1.013   8.256
  992    H    LEU 141           H        LEU 141 -14.038  -0.066   3.348
  993    HA   LEU 141           HA       LEU 141 -12.892  -1.587   2.100
  994    HB2  LEU 141           HB2      LEU 141 -10.781  -1.364   4.286
  995    HB3  LEU 141           HB3      LEU 141 -10.544  -2.033   2.688
  996    HG   LEU 141           HG       LEU 141  -9.518   0.024   2.646
  997   HD11  LEU 141          HD11      LEU 141 -12.206   0.515   1.305
  998   HD12  LEU 141          HD12      LEU 141 -10.653   1.273   0.909
  999   HD13  LEU 141          HD13      LEU 141 -10.879  -0.469   0.644
 1000   HD21  LEU 141          HD21      LEU 141 -10.621   1.049   4.652
 1001   HD22  LEU 141          HD22      LEU 141 -10.358   2.154   3.293
 1002   HD23  LEU 141          HD23      LEU 141 -11.978   1.523   3.605
 1003    H    GLY 142           H        GLY 142 -14.808  -2.640   4.024
 1004    HA2  GLY 142           HA2      GLY 142 -15.571  -4.680   4.790
 1005    HA3  GLY 142           HA3      GLY 142 -14.333  -5.416   3.747
 1006    H    GLY 143           H        GLY 143 -13.144  -3.275   6.172
 1007    HA2  GLY 143           HA2      GLY 143 -12.170  -3.659   8.284
 1008    HA3  GLY 143           HA3      GLY 143 -12.475  -5.403   8.135
 1009    H    GLY 144           H        GLY 144 -11.097  -4.375   5.217
 1010    HA2  GLY 144           HA2      GLY 144  -8.468  -5.478   5.942
 1011    HA3  GLY 144           HA3      GLY 144  -9.062  -5.026   4.318
 1012    H    GLY 145           H        GLY 145  -9.713  -2.363   6.014
 1013    HA2  GLY 145           HA2      GLY 145  -7.696  -0.850   4.680
 1014    HA3  GLY 145           HA3      GLY 145  -8.917  -0.215   5.809
 1015    H    THR 146           H        THR 146  -7.488  -2.293   7.785
 1016    HA   THR 146           HA       THR 146  -5.522  -0.572   9.022
 1017    HB   THR 146           HB       THR 146  -4.927  -2.975  10.052
 1018    HG1  THR 146           HG1      THR 146  -6.970  -4.159  10.051
 1019   HG21  THR 146          HG21      THR 146  -7.521  -1.484  10.628
 1020   HG22  THR 146          HG22      THR 146  -6.741  -2.666  11.702
 1021   HG23  THR 146          HG23      THR 146  -5.924  -1.143  11.336
 1022    H    ARG 147           H        ARG 147  -3.187  -1.310   9.258
 1023    HA   ARG 147           HA       ARG 147  -2.114  -2.217   6.642
 1024    HB2  ARG 147           HB2      ARG 147  -0.554  -0.249   6.683
 1025    HB3  ARG 147           HB3      ARG 147  -2.201   0.029   6.178
 1026    HG2  ARG 147           HG2      ARG 147  -1.273   0.701   9.002
 1027    HG3  ARG 147           HG3      ARG 147  -1.040   1.775   7.635
 1028    HD2  ARG 147           HD2      ARG 147  -3.724   1.293   7.372
 1029    HD3  ARG 147           HD3      ARG 147  -3.543   1.158   9.128
 1030    HE   ARG 147           HE       ARG 147  -2.247   3.509   7.944
 1031   HH11  ARG 147          HH11      ARG 147  -5.409   2.526   9.443
 1032   HH12  ARG 147          HH12      ARG 147  -5.858   4.205   9.482
 1033   HH21  ARG 147          HH21      ARG 147  -3.032   5.510   8.125
 1034   HH22  ARG 147          HH22      ARG 147  -4.611   5.841   8.811
 1035    H    TYR 148           H        TYR 148  -0.243  -3.239   6.626
 1036    HA   TYR 148           HA       TYR 148   0.924  -3.947   9.282
 1037    HB2  TYR 148           HB2      TYR 148  -0.146  -5.701   7.681
 1038    HB3  TYR 148           HB3      TYR 148   1.331  -5.629   6.733
 1039    HD1  TYR 148           HD1      TYR 148  -0.092  -6.497  10.046
 1040    HD2  TYR 148           HD2      TYR 148   3.379  -6.619   7.489
 1041    HE1  TYR 148           HE1      TYR 148   0.945  -8.190  11.541
 1042    HE2  TYR 148           HE2      TYR 148   4.415  -8.326   8.982
 1043    HH   TYR 148           HH       TYR 148   2.783  -9.538  11.918
 1044    H    ALA 149           H        ALA 149   1.817  -2.395   6.219
 1045    HA   ALA 149           HA       ALA 149   4.407  -1.779   7.409
 1046    HB1  ALA 149           HB1      ALA 149   4.330  -3.320   4.792
 1047    HB2  ALA 149           HB2      ALA 149   5.771  -2.701   5.592
 1048    HB3  ALA 149           HB3      ALA 149   4.833  -3.991   6.366
 1049    H    CYS 150           H        CYS 150   5.484  -0.165   6.720
 1050    HA   CYS 150           HA       CYS 150   4.550   1.968   4.962
 1051    HB2  CYS 150           HB2      CYS 150   5.652   2.486   7.025
 1052    HB3  CYS 150           HB3      CYS 150   6.964   1.361   6.712
 1053    H    GLY 151           H        GLY 151   6.263   2.863   3.530
 1054    HA2  GLY 151           HA2      GLY 151   8.465   1.598   2.510
 1055    HA3  GLY 151           HA3      GLY 151   7.209   1.102   1.389
 1056    H    VAL 152           H        VAL 152   8.802   3.953   2.782
 1057    HA   VAL 152           HA       VAL 152   7.806   5.874   0.879
 1058    HB   VAL 152           HB       VAL 152  10.383   5.933   2.496
 1059   HG11  VAL 152          HG11      VAL 152   8.985   8.167   0.951
 1060   HG12  VAL 152          HG12      VAL 152  10.297   8.415   2.124
 1061   HG13  VAL 152          HG13      VAL 152  10.610   7.519   0.639
 1062   HG21  VAL 152          HG21      VAL 152   8.431   5.865   3.943
 1063   HG22  VAL 152          HG22      VAL 152   9.082   7.503   3.957
 1064   HG23  VAL 152          HG23      VAL 152   7.627   7.140   3.001
 1065    H    ILE 153           H        ILE 153   8.408   6.394  -1.161
 1066    HA   ILE 153           HA       ILE 153  10.267   4.516  -2.559
 1067    HB   ILE 153           HB       ILE 153   8.073   6.346  -3.595
 1068   HG12  ILE 153          HG12      ILE 153   7.798   3.327  -3.442
 1069   HG13  ILE 153          HG13      ILE 153   7.338   4.316  -2.079
 1070   HG21  ILE 153          HG21      ILE 153   9.675   4.134  -4.955
 1071   HG22  ILE 153          HG22      ILE 153   8.208   4.843  -5.648
 1072   HG23  ILE 153          HG23      ILE 153   9.619   5.857  -5.393
 1073   HD11  ILE 153          HD11      ILE 153   6.115   4.348  -4.840
 1074   HD12  ILE 153          HD12      ILE 153   5.342   4.028  -3.281
 1075   HD13  ILE 153          HD13      ILE 153   5.855   5.666  -3.667
 1076    H    LYS 154           H        LYS 154  11.947   5.182  -3.844
 1077    HA   LYS 154           HA       LYS 154  12.277   8.100  -4.448
 1078    HB2  LYS 154           HB2      LYS 154  14.326   5.930  -3.852
 1079    HB3  LYS 154           HB3      LYS 154  14.708   7.212  -4.991
 1080    HG2  LYS 154           HG2      LYS 154  15.584   7.709  -2.787
 1081    HG3  LYS 154           HG3      LYS 154  14.439   8.939  -3.329
 1082    HD2  LYS 154           HD2      LYS 154  12.755   8.203  -1.803
 1083    HD3  LYS 154           HD3      LYS 154  13.615   6.679  -1.471
 1084    HE2  LYS 154           HE2      LYS 154  15.464   7.948  -0.440
 1085    HE3  LYS 154           HE3      LYS 154  14.631   9.474  -0.764
 1086    HZ1  LYS 154           HZ1      LYS 154  13.369   7.324   0.825
 1087    HZ2  LYS 154           HZ2      LYS 154  14.375   8.398   1.523
 1088    HZ3  LYS 154           HZ3      LYS 154  12.983   8.938   0.809
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1  11.684  -1.038 -15.513
    2    H2   ALA   1           H2       ALA   1  12.527  -0.512 -16.829
    3    H3   ALA   1           H3       ALA   1  11.538   0.514 -16.037
    4    HA   ALA   1           HA       ALA   1  14.021  -0.661 -15.000
    5    HB1  ALA   1           HB1      ALA   1  13.361   2.269 -15.517
    6    HB2  ALA   1           HB2      ALA   1  14.910   1.608 -14.956
    7    HB3  ALA   1           HB3      ALA   1  14.333   1.238 -16.591
    8    H    SER   2           H        SER   2  14.606   0.732 -12.729
    9    HA   SER   2           HA       SER   2  12.266  -0.064 -11.060
   10    HB2  SER   2           HB2      SER   2  14.698  -1.714 -10.737
   11    HB3  SER   2           HB3      SER   2  13.019  -2.223 -10.712
   12    HG   SER   2           HG       SER   2  13.105  -2.395 -13.000
   13    H    GLU   3           H        GLU   3  12.309  -0.235  -8.999
   14    HA   GLU   3           HA       GLU   3  14.707   0.421  -7.534
   15    HB2  GLU   3           HB2      GLU   3  14.202   2.340  -6.644
   16    HB3  GLU   3           HB3      GLU   3  13.455   2.645  -8.200
   17    HG2  GLU   3           HG2      GLU   3  11.288   2.617  -7.289
   18    HG3  GLU   3           HG3      GLU   3  11.779   1.726  -5.829
   19    H    LYS   4           H        LYS   4  14.741  -0.526  -5.543
   20    HA   LYS   4           HA       LYS   4  12.309  -2.062  -4.761
   21    HB2  LYS   4           HB2      LYS   4  13.748  -3.626  -3.611
   22    HB3  LYS   4           HB3      LYS   4  14.266  -3.405  -5.271
   23    HG2  LYS   4           HG2      LYS   4  16.324  -3.325  -4.348
   24    HG3  LYS   4           HG3      LYS   4  15.942  -1.625  -4.187
   25    HD2  LYS   4           HD2      LYS   4  14.979  -2.678  -1.772
   26    HD3  LYS   4           HD3      LYS   4  16.368  -3.724  -2.123
   27    HE2  LYS   4           HE2      LYS   4  17.684  -1.545  -2.575
   28    HE3  LYS   4           HE3      LYS   4  16.295  -0.679  -1.922
   29    HZ1  LYS   4           HZ1      LYS   4  18.152  -2.469  -0.464
   30    HZ2  LYS   4           HZ2      LYS   4  17.807  -0.894  -0.214
   31    HZ3  LYS   4           HZ3      LYS   4  16.705  -2.028   0.195
   32    H    VAL   5           H        VAL   5  10.992  -1.214  -3.287
   33    HA   VAL   5           HA       VAL   5  12.186   0.701  -1.348
   34    HB   VAL   5           HB       VAL   5   9.329  -0.020  -2.011
   35   HG11  VAL   5          HG11      VAL   5  10.392   1.790   0.211
   36   HG12  VAL   5          HG12      VAL   5   8.728   1.836  -0.400
   37   HG13  VAL   5          HG13      VAL   5   9.329   0.378   0.395
   38   HG21  VAL   5          HG21      VAL   5  10.584   1.447  -3.581
   39   HG22  VAL   5          HG22      VAL   5   9.337   2.374  -2.724
   40   HG23  VAL   5          HG23      VAL   5  11.032   2.511  -2.238
   41    H    GLY   6           H        GLY   6  12.950   0.105   0.458
   42    HA2  GLY   6           HA2      GLY   6  12.475  -2.532   1.671
   43    HA3  GLY   6           HA3      GLY   6  13.597  -1.266   2.244
   44    H    MET   7           H        MET   7  10.541  -2.734   2.566
   45    HA   MET   7           HA       MET   7   9.255  -0.544   4.009
   46    HB2  MET   7           HB2      MET   7   8.458  -3.449   3.553
   47    HB3  MET   7           HB3      MET   7   7.478  -2.238   4.420
   48    HG2  MET   7           HG2      MET   7   7.484  -0.782   2.438
   49    HG3  MET   7           HG3      MET   7   8.331  -2.032   1.518
   50    HE1  MET   7           HE1      MET   7   6.174  -1.433  -0.119
   51    HE2  MET   7           HE2      MET   7   4.486  -1.675   0.412
   52    HE3  MET   7           HE3      MET   7   5.502  -0.435   1.192
   53    H    ASN   8           H        ASN   8   8.674  -0.446   6.116
   54    HA   ASN   8           HA       ASN   8   9.852  -2.394   8.061
   55    HB2  ASN   8           HB2      ASN   8   9.473   0.600   8.271
   56    HB3  ASN   8           HB3      ASN   8   9.577  -0.441   9.708
   57   HD21  ASN   8          HD21      ASN   8  11.611  -0.228  10.579
   58   HD22  ASN   8          HD22      ASN   8  13.074  -0.421   9.607
   59    H    LEU   9           H        LEU   9   8.528  -2.960   9.821
   60    HA   LEU   9           HA       LEU   9   5.675  -3.168   9.313
   61    HB2  LEU   9           HB2      LEU   9   7.404  -3.660  11.772
   62    HB3  LEU   9           HB3      LEU   9   5.695  -4.077  11.686
   63    HG   LEU   9           HG       LEU   9   7.713  -5.198   9.703
   64   HD11  LEU   9          HD11      LEU   9   6.909  -6.392  12.380
   65   HD12  LEU   9          HD12      LEU   9   7.851  -7.217  11.115
   66   HD13  LEU   9          HD13      LEU   9   8.519  -5.788  11.912
   67   HD21  LEU   9          HD21      LEU   9   5.350  -5.421   9.044
   68   HD22  LEU   9          HD22      LEU   9   6.037  -7.000   9.448
   69   HD23  LEU   9          HD23      LEU   9   4.971  -6.178  10.606
   70    H    VAL  10           H        VAL  10   3.988  -1.995  10.350
   71    HA   VAL  10           HA       VAL  10   4.800   0.317  12.035
   72    HB   VAL  10           HB       VAL  10   3.378   1.901  10.957
   73   HG11  VAL  10          HG11      VAL  10   5.103   0.636   8.790
   74   HG12  VAL  10          HG12      VAL  10   4.596   2.333   8.923
   75   HG13  VAL  10          HG13      VAL  10   5.720   1.656  10.108
   76   HG21  VAL  10          HG21      VAL  10   1.556   0.590  10.094
   77   HG22  VAL  10          HG22      VAL  10   2.284   1.487   8.765
   78   HG23  VAL  10          HG23      VAL  10   2.632  -0.248   8.940
   79    H    THR  11           H        THR  11   3.263   1.110  13.448
   80    HA   THR  11           HA       THR  11   0.692  -0.114  13.947
   81    HB   THR  11           HB       THR  11   1.806  -2.168  14.267
   82    HG1  THR  11           HG1      THR  11   1.287  -0.831  16.674
   83   HG21  THR  11          HG21      THR  11   3.700  -0.757  16.212
   84   HG22  THR  11          HG22      THR  11   3.558  -2.511  15.997
   85   HG23  THR  11          HG23      THR  11   4.133  -1.509  14.663
   86    H    ALA  12           H        ALA  12   1.111   2.462  13.967
   87    HA   ALA  12           HA       ALA  12   0.580   4.334  15.124
   88    HB1  ALA  12           HB1      ALA  12   0.041   2.567  17.538
   89    HB2  ALA  12           HB2      ALA  12  -0.591   4.180  17.209
   90    HB3  ALA  12           HB3      ALA  12  -1.106   2.816  16.195
   91    H    GLN  13           H        GLN  13   3.172   2.439  16.445
   92    HA   GLN  13           HA       GLN  13   4.413   4.753  17.771
   93    HB2  GLN  13           HB2      GLN  13   5.485   2.074  16.718
   94    HB3  GLN  13           HB3      GLN  13   6.490   3.329  17.437
   95    HG2  GLN  13           HG2      GLN  13   6.280   1.844  19.138
   96    HG3  GLN  13           HG3      GLN  13   5.166   3.163  19.564
   97   HE21  GLN  13          HE21      GLN  13   2.854   2.748  19.334
   98   HE22  GLN  13          HE22      GLN  13   2.329   1.171  18.737
   99    H    GLY  14           H        GLY  14   3.654   4.043  14.549
  100    HA2  GLY  14           HA2      GLY  14   4.292   5.090  12.534
  101    HA3  GLY  14           HA3      GLY  14   5.706   5.819  13.348
  102    H    VAL  15           H        VAL  15   7.484   4.979  12.526
  103    HA   VAL  15           HA       VAL  15   7.595   2.463  11.072
  104    HB   VAL  15           HB       VAL  15   9.747   4.500  11.785
  105   HG11  VAL  15          HG11      VAL  15   9.827   2.154   9.849
  106   HG12  VAL  15          HG12      VAL  15  11.055   3.435   9.928
  107   HG13  VAL  15          HG13      VAL  15  10.830   2.350  11.300
  108   HG21  VAL  15          HG21      VAL  15   8.034   5.460  10.317
  109   HG22  VAL  15          HG22      VAL  15   9.518   5.190   9.405
  110   HG23  VAL  15          HG23      VAL  15   8.153   4.066   9.220
  111    H    GLY  16           H        GLY  16   8.053   0.518  11.885
  112    HA2  GLY  16           HA2      GLY  16   9.407   0.147  14.511
  113    HA3  GLY  16           HA3      GLY  16   8.490  -1.041  13.535
  114    H    GLN  17           H        GLN  17   9.830  -2.642  13.243
  115    HA   GLN  17           HA       GLN  17  12.553  -2.107  12.136
  116    HB2  GLN  17           HB2      GLN  17  13.194  -4.312  12.683
  117    HB3  GLN  17           HB3      GLN  17  12.538  -3.567  14.128
  118    HG2  GLN  17           HG2      GLN  17  10.757  -5.031  14.257
  119    HG3  GLN  17           HG3      GLN  17  10.606  -5.193  12.495
  120   HE21  GLN  17          HE21      GLN  17  12.400  -6.499  11.322
  121   HE22  GLN  17          HE22      GLN  17  12.940  -7.895  12.248
  122    H    SER  18           H        SER  18  13.283  -3.613  10.394
  123    HA   SER  18           HA       SER  18  11.145  -3.988   8.373
  124    HB2  SER  18           HB2      SER  18  12.950  -2.450   7.751
  125    HB3  SER  18           HB3      SER  18  14.147  -3.723   8.026
  126    HG   SER  18           HG       SER  18  12.117  -3.498   6.033
  127    H    ILE  19           H        ILE  19  11.094  -5.728   7.073
  128    HA   ILE  19           HA       ILE  19  12.267  -8.330   7.875
  129    HB   ILE  19           HB       ILE  19   9.985  -9.330   7.778
  130   HG12  ILE  19          HG12      ILE  19   8.338  -8.095   8.700
  131   HG13  ILE  19          HG13      ILE  19   9.230  -6.570   8.814
  132   HG21  ILE  19          HG21      ILE  19  10.816  -7.747  10.230
  133   HG22  ILE  19          HG22      ILE  19   9.813  -9.204  10.176
  134   HG23  ILE  19          HG23      ILE  19  11.521  -9.305   9.736
  135   HD11  ILE  19          HD11      ILE  19   8.338  -7.949   6.242
  136   HD12  ILE  19          HD12      ILE  19   7.493  -6.592   7.010
  137   HD13  ILE  19          HD13      ILE  19   9.125  -6.349   6.372
  138    H    GLY  20           H        GLY  20  11.650  -6.252   5.443
  139    HA2  GLY  20           HA2      GLY  20  12.731  -7.719   3.425
  140    HA3  GLY  20           HA3      GLY  20  11.027  -8.137   3.277
  141    H    THR  21           H        THR  21  12.199  -7.017   1.139
  142    HA   THR  21           HA       THR  21  11.139  -4.214   1.022
  143    HB   THR  21           HB       THR  21  12.678  -3.629  -0.569
  144    HG1  THR  21           HG1      THR  21  13.320  -6.343  -0.982
  145   HG21  THR  21          HG21      THR  21  14.407  -5.655   0.901
  146   HG22  THR  21          HG22      THR  21  14.895  -4.131   0.157
  147   HG23  THR  21          HG23      THR  21  13.900  -4.123   1.620
  148    H    VAL  22           H        VAL  22  10.432  -3.733  -1.291
  149    HA   VAL  22           HA       VAL  22   9.439  -6.110  -2.744
  150    HB   VAL  22           HB       VAL  22   7.775  -3.548  -2.663
  151   HG11  VAL  22          HG11      VAL  22   7.339  -6.329  -3.844
  152   HG12  VAL  22          HG12      VAL  22   6.118  -5.097  -3.805
  153   HG13  VAL  22          HG13      VAL  22   7.582  -4.831  -4.769
  154   HG21  VAL  22          HG21      VAL  22   7.524  -4.693  -0.478
  155   HG22  VAL  22          HG22      VAL  22   6.056  -4.840  -1.449
  156   HG23  VAL  22          HG23      VAL  22   7.173  -6.219  -1.336
  157    H    VAL  23           H        VAL  23  10.100  -6.059  -4.822
  158    HA   VAL  23           HA       VAL  23  11.566  -3.646  -5.723
  159    HB   VAL  23           HB       VAL  23  12.701  -5.721  -5.943
  160   HG11  VAL  23          HG11      VAL  23  10.634  -6.677  -7.844
  161   HG12  VAL  23          HG12      VAL  23  12.280  -7.334  -7.718
  162   HG13  VAL  23          HG13      VAL  23  11.249  -7.415  -6.309
  163   HG21  VAL  23          HG21      VAL  23  13.148  -3.776  -7.478
  164   HG22  VAL  23          HG22      VAL  23  13.569  -5.338  -8.200
  165   HG23  VAL  23          HG23      VAL  23  12.067  -4.520  -8.676
  166    H    ILE  24           H        ILE  24  10.762  -2.163  -6.989
  167    HA   ILE  24           HA       ILE  24   8.187  -2.621  -8.437
  168    HB   ILE  24           HB       ILE  24   9.537  -0.046  -7.523
  169   HG12  ILE  24          HG12      ILE  24   6.883  -0.644  -6.366
  170   HG13  ILE  24          HG13      ILE  24   8.039  -1.772  -5.827
  171   HG21  ILE  24          HG21      ILE  24   6.875  -0.570  -8.921
  172   HG22  ILE  24          HG22      ILE  24   7.361   0.997  -8.202
  173   HG23  ILE  24          HG23      ILE  24   8.275   0.332  -9.548
  174   HD11  ILE  24          HD11      ILE  24   8.224   1.261  -5.642
  175   HD12  ILE  24          HD12      ILE  24   7.805   0.132  -4.337
  176   HD13  ILE  24          HD13      ILE  24   9.451   0.113  -5.029
  177    H    ASP  25           H        ASP  25   8.394  -2.793 -10.583
  178    HA   ASP  25           HA       ASP  25  10.661  -1.454 -11.981
  179    HB2  ASP  25           HB2      ASP  25  11.265  -3.679 -11.606
  180    HB3  ASP  25           HB3      ASP  25   9.705  -4.319 -12.172
  181    H    GLU  26           H        GLU  26   9.841  -0.004 -13.229
  182    HA   GLU  26           HA       GLU  26   7.043  -0.092 -14.095
  183    HB2  GLU  26           HB2      GLU  26   7.289   2.089 -14.967
  184    HB3  GLU  26           HB3      GLU  26   7.880   2.002 -13.305
  185    HG2  GLU  26           HG2      GLU  26   9.247   3.516 -14.480
  186    HG3  GLU  26           HG3      GLU  26  10.207   2.099 -14.137
  187    H    THR  27           H        THR  27   6.223  -0.247 -16.094
  188    HA   THR  27           HA       THR  27   7.860  -0.478 -18.497
  189    HB   THR  27           HB       THR  27   8.336  -2.649 -17.566
  190    HG1  THR  27           HG1      THR  27   8.073  -3.563 -19.431
  191   HG21  THR  27          HG21      THR  27   5.322  -3.079 -17.424
  192   HG22  THR  27          HG22      THR  27   6.538  -4.369 -17.283
  193   HG23  THR  27          HG23      THR  27   6.477  -3.086 -16.077
  194    H    GLU  28           H        GLU  28   6.183  -1.589 -20.189
  195    HA   GLU  28           HA       GLU  28   4.250   0.448 -20.744
  196    HB2  GLU  28           HB2      GLU  28   5.391  -0.861 -22.424
  197    HB3  GLU  28           HB3      GLU  28   4.654  -2.367 -21.836
  198    HG2  GLU  28           HG2      GLU  28   2.478  -1.695 -22.645
  199    HG3  GLU  28           HG3      GLU  28   3.014  -0.027 -22.902
  200    H    GLY  29           H        GLY  29   3.974  -2.538 -18.925
  201    HA2  GLY  29           HA2      GLY  29   1.051  -2.173 -18.552
  202    HA3  GLY  29           HA3      GLY  29   2.009  -3.579 -17.981
  203    H    GLY  30           H        GLY  30   3.360  -0.540 -17.420
  204    HA2  GLY  30           HA2      GLY  30   3.532   0.934 -15.650
  205    HA3  GLY  30           HA3      GLY  30   2.104   0.228 -14.906
  206    H    LEU  31           H        LEU  31   2.819   0.153 -12.869
  207    HA   LEU  31           HA       LEU  31   5.558  -0.543 -12.213
  208    HB2  LEU  31           HB2      LEU  31   3.152  -0.109 -10.395
  209    HB3  LEU  31           HB3      LEU  31   4.851  -0.140  -9.896
  210    HG   LEU  31           HG       LEU  31   3.472   1.957 -11.615
  211   HD11  LEU  31          HD11      LEU  31   4.741   2.116  -8.852
  212   HD12  LEU  31          HD12      LEU  31   3.971   3.452  -9.735
  213   HD13  LEU  31          HD13      LEU  31   2.997   2.072  -9.201
  214   HD21  LEU  31          HD21      LEU  31   5.728   1.731 -12.485
  215   HD22  LEU  31          HD22      LEU  31   5.628   3.211 -11.527
  216   HD23  LEU  31          HD23      LEU  31   6.413   1.770 -10.841
  217    H    LYS  32           H        LYS  32   6.132  -2.627 -12.666
  218    HA   LYS  32           HA       LYS  32   4.613  -4.942 -11.779
  219    HB2  LYS  32           HB2      LYS  32   6.184  -4.674 -13.810
  220    HB3  LYS  32           HB3      LYS  32   7.503  -4.798 -12.652
  221    HG2  LYS  32           HG2      LYS  32   6.290  -7.045 -11.919
  222    HG3  LYS  32           HG3      LYS  32   5.449  -6.846 -13.473
  223    HD2  LYS  32           HD2      LYS  32   7.307  -8.214 -13.975
  224    HD3  LYS  32           HD3      LYS  32   7.734  -6.593 -14.556
  225    HE2  LYS  32           HE2      LYS  32   8.840  -6.312 -12.177
  226    HE3  LYS  32           HE3      LYS  32   8.701  -8.081 -12.084
  227    HZ1  LYS  32           HZ1      LYS  32  10.206  -6.418 -14.054
  228    HZ2  LYS  32           HZ2      LYS  32  10.851  -7.510 -13.040
  229    HZ3  LYS  32           HZ3      LYS  32   9.954  -8.020 -14.325
  230    H    PHE  33           H        PHE  33   4.505  -5.522  -9.720
  231    HA   PHE  33           HA       PHE  33   6.499  -4.688  -7.712
  232    HB2  PHE  33           HB2      PHE  33   3.842  -4.216  -7.934
  233    HB3  PHE  33           HB3      PHE  33   3.737  -5.808  -7.183
  234    HD1  PHE  33           HD1      PHE  33   6.010  -2.868  -6.627
  235    HD2  PHE  33           HD2      PHE  33   2.908  -5.379  -5.041
  236    HE1  PHE  33           HE1      PHE  33   6.162  -1.679  -4.421
  237    HE2  PHE  33           HE2      PHE  33   2.994  -4.116  -2.896
  238    HZ   PHE  33           HZ       PHE  33   4.662  -2.320  -2.566
  239    H    THR  34           H        THR  34   7.981  -6.299  -7.073
  240    HA   THR  34           HA       THR  34   6.919  -9.100  -6.909
  241    HB   THR  34           HB       THR  34   9.831  -8.574  -7.382
  242    HG1  THR  34           HG1      THR  34   8.596  -7.685  -9.076
  243   HG21  THR  34          HG21      THR  34   7.985 -10.949  -7.825
  244   HG22  THR  34          HG22      THR  34   9.705 -10.877  -8.266
  245   HG23  THR  34          HG23      THR  34   9.225 -10.787  -6.563
  246    HA   PRO  35           HA       PRO  35   8.164  -8.029  -2.686
  247    HB2  PRO  35           HB2      PRO  35   6.558  -9.705  -1.341
  248    HB3  PRO  35           HB3      PRO  35   5.865  -8.343  -2.287
  249    HG2  PRO  35           HG2      PRO  35   6.180 -11.244  -3.123
  250    HG3  PRO  35           HG3      PRO  35   4.697 -10.242  -3.236
  251    HD2  PRO  35           HD2      PRO  35   6.416 -10.631  -5.325
  252    HD3  PRO  35           HD3      PRO  35   5.534  -9.085  -5.082
  253    H    HIS  36           H        HIS  36   9.282  -9.011  -0.890
  254    HA   HIS  36           HA       HIS  36   9.863 -11.890  -1.029
  255    HB2  HIS  36           HB2      HIS  36  12.148 -11.785  -1.445
  256    HB3  HIS  36           HB3      HIS  36  11.513 -10.553  -2.518
  257    HD1  HIS  36           HD1      HIS  36  14.141 -10.955  -0.006
  258    HD2  HIS  36           HD2      HIS  36  11.662  -7.917  -1.451
  259    HE1  HIS  36           HE1      HIS  36  15.247  -8.766   0.757
  260    H    LEU  37           H        LEU  37   8.303 -10.470   0.792
  261    HA   LEU  37           HA       LEU  37   9.862 -10.127   3.342
  262    HB2  LEU  37           HB2      LEU  37   6.942  -9.472   2.922
  263    HB3  LEU  37           HB3      LEU  37   8.045  -8.970   4.210
  264    HG   LEU  37           HG       LEU  37   9.270  -7.818   2.027
  265   HD11  LEU  37          HD11      LEU  37   6.267  -7.849   1.510
  266   HD12  LEU  37          HD12      LEU  37   7.397  -6.686   0.803
  267   HD13  LEU  37          HD13      LEU  37   7.560  -8.409   0.429
  268   HD21  LEU  37          HD21      LEU  37   8.843  -6.726   4.131
  269   HD22  LEU  37          HD22      LEU  37   8.179  -5.717   2.839
  270   HD23  LEU  37          HD23      LEU  37   7.088  -6.709   3.847
  271    H    LYS  38           H        LYS  38   9.327 -10.878   5.211
  272    HA   LYS  38           HA       LYS  38   7.499 -13.210   5.320
  273    HB2  LYS  38           HB2      LYS  38   9.066 -14.340   6.835
  274    HB3  LYS  38           HB3      LYS  38   9.718 -14.179   5.222
  275    HG2  LYS  38           HG2      LYS  38  10.486 -11.952   7.068
  276    HG3  LYS  38           HG3      LYS  38  11.015 -13.562   7.589
  277    HD2  LYS  38           HD2      LYS  38  12.722 -12.401   6.280
  278    HD3  LYS  38           HD3      LYS  38  12.236 -13.926   5.533
  279    HE2  LYS  38           HE2      LYS  38  10.893 -12.752   3.849
  280    HE3  LYS  38           HE3      LYS  38  11.056 -11.245   4.688
  281    HZ1  LYS  38           HZ1      LYS  38  13.372 -12.690   3.495
  282    HZ2  LYS  38           HZ2      LYS  38  12.588 -11.402   2.827
  283    HZ3  LYS  38           HZ3      LYS  38  13.436 -11.248   4.256
  284    H    ALA  39           H        ALA  39   6.829 -13.627   7.313
  285    HA   ALA  39           HA       ALA  39   6.249 -13.419   9.558
  286    HB1  ALA  39           HB1      ALA  39   7.248 -10.538   9.575
  287    HB2  ALA  39           HB2      ALA  39   6.923 -11.584  10.958
  288    HB3  ALA  39           HB3      ALA  39   8.294 -11.941   9.896
  289    H    LEU  40           H        LEU  40   4.566 -12.763   7.178
  290    HA   LEU  40           HA       LEU  40   2.612 -10.926   8.474
  291    HB2  LEU  40           HB2      LEU  40   1.619 -11.152   5.910
  292    HB3  LEU  40           HB3      LEU  40   2.333  -9.861   6.713
  293    HG   LEU  40           HG       LEU  40   3.349 -11.757   4.565
  294   HD11  LEU  40          HD11      LEU  40   3.767  -8.749   4.655
  295   HD12  LEU  40          HD12      LEU  40   3.931  -9.841   3.284
  296   HD13  LEU  40          HD13      LEU  40   2.304  -9.504   3.946
  297   HD21  LEU  40          HD21      LEU  40   5.382 -11.747   5.692
  298   HD22  LEU  40          HD22      LEU  40   5.528 -10.585   4.399
  299   HD23  LEU  40          HD23      LEU  40   5.246  -9.973   6.053
  300    HA   PRO  41           HA       PRO  41   0.010 -14.071   8.642
  301    HB2  PRO  41           HB2      PRO  41  -2.630 -13.004   8.416
  302    HB3  PRO  41           HB3      PRO  41  -1.620 -12.975   9.883
  303    HG2  PRO  41           HG2      PRO  41  -1.879 -10.928   7.724
  304    HG3  PRO  41           HG3      PRO  41  -1.928 -10.655   9.498
  305    HD2  PRO  41           HD2      PRO  41   0.414 -10.219   8.209
  306    HD3  PRO  41           HD3      PRO  41   0.335 -11.155   9.743
  307    HA   PRO  42           HA       PRO  42   0.169 -15.399   4.800
  308    HB2  PRO  42           HB2      PRO  42  -0.542 -17.933   4.835
  309    HB3  PRO  42           HB3      PRO  42   0.518 -17.242   6.099
  310    HG2  PRO  42           HG2      PRO  42  -2.485 -17.552   6.192
  311    HG3  PRO  42           HG3      PRO  42  -1.313 -18.332   7.287
  312    HD2  PRO  42           HD2      PRO  42  -2.385 -15.887   7.939
  313    HD3  PRO  42           HD3      PRO  42  -0.638 -16.195   8.213
  314    H    GLY  43           H        GLY  43  -2.327 -13.921   4.784
  315    HA2  GLY  43           HA2      GLY  43  -3.990 -15.353   2.730
  316    HA3  GLY  43           HA3      GLY  43  -4.573 -14.035   3.776
  317    H    GLU  44           H        GLU  44  -5.383 -12.889   1.964
  318    HA   GLU  44           HA       GLU  44  -3.483 -11.590   0.157
  319    HB2  GLU  44           HB2      GLU  44  -6.338 -10.736   0.747
  320    HB3  GLU  44           HB3      GLU  44  -5.318 -10.304  -0.616
  321    HG2  GLU  44           HG2      GLU  44  -6.546 -11.881  -1.651
  322    HG3  GLU  44           HG3      GLU  44  -5.290 -12.964  -1.014
  323    H    HIS  45           H        HIS  45  -2.381  -9.754   0.516
  324    HA   HIS  45           HA       HIS  45  -3.214  -7.949   2.754
  325    HB2  HIS  45           HB2      HIS  45  -0.378  -8.322   1.540
  326    HB3  HIS  45           HB3      HIS  45  -0.937  -6.871   2.406
  327    HD1  HIS  45           HD1      HIS  45  -1.345  -7.404   5.072
  328    HD2  HIS  45           HD2      HIS  45  -0.555 -10.632   2.535
  329    HE1  HIS  45           HE1      HIS  45  -0.933  -9.415   6.609
  330    HE2  HIS  45           HE2      HIS  45  -0.416 -11.443   5.015
  331    H    GLY  46           H        GLY  46  -4.153  -6.034   2.167
  332    HA2  GLY  46           HA2      GLY  46  -4.514  -5.223  -0.532
  333    HA3  GLY  46           HA3      GLY  46  -4.592  -4.146   0.885
  334    H    PHE  47           H        PHE  47  -3.540  -3.372  -1.647
  335    HA   PHE  47           HA       PHE  47  -0.912  -2.414  -0.720
  336    HB2  PHE  47           HB2      PHE  47  -0.153  -4.246  -2.003
  337    HB3  PHE  47           HB3      PHE  47  -1.422  -4.019  -3.217
  338    HD1  PHE  47           HD1      PHE  47   1.095  -1.518  -1.890
  339    HD2  PHE  47           HD2      PHE  47  -0.232  -3.915  -5.219
  340    HE1  PHE  47           HE1      PHE  47   2.722  -0.377  -3.404
  341    HE2  PHE  47           HE2      PHE  47   1.355  -2.707  -6.719
  342    HZ   PHE  47           HZ       PHE  47   2.782  -0.898  -5.804
  343    H    HIS  48           H        HIS  48  -1.221  -0.287  -0.715
  344    HA   HIS  48           HA       HIS  48  -2.054   0.866  -3.384
  345    HB2  HIS  48           HB2      HIS  48  -2.315   2.332  -0.737
  346    HB3  HIS  48           HB3      HIS  48  -2.890   2.891  -2.306
  347    HD2  HIS  48           HD2      HIS  48  -4.643   0.411  -3.185
  348    HE1  HIS  48           HE1      HIS  48  -6.525   0.617   0.610
  349    HE2  HIS  48           HE2      HIS  48  -6.723  -0.261  -1.771
  350    H    ILE  49           H        ILE  49  -1.249   2.965  -3.834
  351    HA   ILE  49           HA       ILE  49   1.262   3.852  -2.480
  352    HB   ILE  49           HB       ILE  49   0.284   4.453  -5.306
  353   HG12  ILE  49          HG12      ILE  49   2.753   3.071  -4.173
  354   HG13  ILE  49          HG13      ILE  49   1.419   2.273  -5.029
  355   HG21  ILE  49          HG21      ILE  49   2.663   5.643  -3.793
  356   HG22  ILE  49          HG22      ILE  49   2.284   5.909  -5.508
  357   HG23  ILE  49          HG23      ILE  49   1.192   6.517  -4.283
  358   HD11  ILE  49          HD11      ILE  49   3.541   4.078  -6.193
  359   HD12  ILE  49          HD12      ILE  49   3.197   2.387  -6.562
  360   HD13  ILE  49          HD13      ILE  49   2.047   3.640  -7.076
  361    H    HIS  50           H        HIS  50   1.243   5.979  -1.749
  362    HA   HIS  50           HA       HIS  50  -1.470   7.142  -1.319
  363    HB2  HIS  50           HB2      HIS  50   0.628   6.326   0.697
  364    HB3  HIS  50           HB3      HIS  50  -0.382   7.730   0.999
  365    HD1  HIS  50           HD1      HIS  50  -2.374   7.246   2.401
  366    HD2  HIS  50           HD2      HIS  50  -1.220   4.043  -0.015
  367    HE1  HIS  50           HE1      HIS  50  -4.007   5.350   2.967
  368    H    ALA  51           H        ALA  51  -1.409   9.383  -0.643
  369    HA   ALA  51           HA       ALA  51  -0.168  10.756  -2.770
  370    HB1  ALA  51           HB1      ALA  51  -1.568  11.853  -0.295
  371    HB2  ALA  51           HB2      ALA  51  -1.305  12.727  -1.826
  372    HB3  ALA  51           HB3      ALA  51  -2.370  11.307  -1.793
  373    H    ASN  52           H        ASN  52   0.978  10.548   0.546
  374    HA   ASN  52           HA       ASN  52   3.326  12.248  -0.184
  375    HB2  ASN  52           HB2      ASN  52   1.899  12.168   2.496
  376    HB3  ASN  52           HB3      ASN  52   3.305  13.155   2.094
  377   HD21  ASN  52          HD21      ASN  52  -0.098  13.133   2.210
  378   HD22  ASN  52          HD22      ASN  52  -0.390  14.530   1.183
  379    H    GLY  53           H        GLY  53   4.943  11.882   1.918
  380    HA2  GLY  53           HA2      GLY  53   5.845   9.117   1.262
  381    HA3  GLY  53           HA3      GLY  53   6.829  10.571   1.316
  382    H    SER  54           H        SER  54   4.695   9.756   4.119
  383    HA   SER  54           HA       SER  54   6.917   8.355   5.462
  384    HB2  SER  54           HB2      SER  54   6.169  11.198   6.212
  385    HB3  SER  54           HB3      SER  54   6.938  10.090   7.353
  386    HG   SER  54           HG       SER  54   8.122  10.347   4.834
  387    H    CYS  55           H        CYS  55   5.754   6.632   6.336
  388    HA   CYS  55           HA       CYS  55   3.338   6.948   7.792
  389    HB2  CYS  55           HB2      CYS  55   5.454   4.780   7.717
  390    HB3  CYS  55           HB3      CYS  55   4.013   4.687   8.711
  391    H    GLN  56           H        GLN  56   3.882   8.899   8.911
  392    HA   GLN  56           HA       GLN  56   4.836   8.243  11.672
  393    HB2  GLN  56           HB2      GLN  56   4.823  10.923  10.233
  394    HB3  GLN  56           HB3      GLN  56   5.073  10.742  11.971
  395    HG2  GLN  56           HG2      GLN  56   6.857   9.475   9.837
  396    HG3  GLN  56           HG3      GLN  56   7.198  10.979  10.688
  397   HE21  GLN  56          HE21      GLN  56   6.967   7.412  11.108
  398   HE22  GLN  56          HE22      GLN  56   7.821   7.446  12.664
  399    HA   PRO  57           HA       PRO  57   0.489   8.768  12.521
  400    HB2  PRO  57           HB2      PRO  57   0.489   8.449  15.226
  401    HB3  PRO  57           HB3      PRO  57   0.837   7.090  14.114
  402    HG2  PRO  57           HG2      PRO  57   2.814   8.818  15.623
  403    HG3  PRO  57           HG3      PRO  57   2.809   7.035  15.428
  404    HD2  PRO  57           HD2      PRO  57   4.336   8.694  13.881
  405    HD3  PRO  57           HD3      PRO  57   3.656   7.146  13.287
  406    H    ALA  58           H        ALA  58  -0.881  10.487  13.089
  407    HA   ALA  58           HA       ALA  58   0.324  12.988  14.049
  408    HB1  ALA  58           HB1      ALA  58  -2.589  12.205  13.576
  409    HB2  ALA  58           HB2      ALA  58  -2.003  13.826  13.990
  410    HB3  ALA  58           HB3      ALA  58  -1.530  13.090  12.452
  411    H    ILE  59           H        ILE  59   0.448  13.619  16.148
  412    HA   ILE  59           HA       ILE  59  -0.642  11.812  18.278
  413    HB   ILE  59           HB       ILE  59   1.434  14.021  18.543
  414   HG12  ILE  59          HG12      ILE  59   2.479  12.383  17.130
  415   HG13  ILE  59          HG13      ILE  59   3.145  12.255  18.745
  416   HG21  ILE  59          HG21      ILE  59   0.526  11.798  20.427
  417   HG22  ILE  59          HG22      ILE  59   1.907  12.879  20.715
  418   HG23  ILE  59          HG23      ILE  59   0.274  13.543  20.624
  419   HD11  ILE  59          HD11      ILE  59   1.120  10.355  17.485
  420   HD12  ILE  59          HD12      ILE  59   2.831  10.042  17.799
  421   HD13  ILE  59          HD13      ILE  59   1.717  10.235  19.160
  422    H    LYS  60           H        LYS  60  -2.597  12.402  18.925
  423    HA   LYS  60           HA       LYS  60  -3.241  15.099  19.735
  424    HB2  LYS  60           HB2      LYS  60  -3.315  15.026  17.095
  425    HB3  LYS  60           HB3      LYS  60  -4.815  14.134  17.320
  426    HG2  LYS  60           HG2      LYS  60  -5.782  16.048  18.548
  427    HG3  LYS  60           HG3      LYS  60  -4.208  16.868  18.529
  428    HD2  LYS  60           HD2      LYS  60  -4.303  16.925  16.017
  429    HD3  LYS  60           HD3      LYS  60  -5.899  16.173  16.089
  430    HE2  LYS  60           HE2      LYS  60  -6.183  18.532  15.765
  431    HE3  LYS  60           HE3      LYS  60  -6.749  18.136  17.395
  432    HZ1  LYS  60           HZ1      LYS  60  -4.063  19.228  16.774
  433    HZ2  LYS  60           HZ2      LYS  60  -5.325  20.154  17.219
  434    HZ3  LYS  60           HZ3      LYS  60  -4.715  19.049  18.289
  435    H    ASP  61           H        ASP  61  -5.377  15.252  20.654
  436    HA   ASP  61           HA       ASP  61  -6.900  14.433  22.154
  437    HB2  ASP  61           HB2      ASP  61  -7.893  14.861  19.900
  438    HB3  ASP  61           HB3      ASP  61  -7.835  13.122  19.590
  439    H    GLY  62           H        GLY  62  -4.983  13.070  23.005
  440    HA2  GLY  62           HA2      GLY  62  -4.655  11.367  24.519
  441    HA3  GLY  62           HA3      GLY  62  -6.253  10.719  24.083
  442    H    GLN  63           H        GLN  63  -4.312  10.892  21.240
  443    HA   GLN  63           HA       GLN  63  -3.223   8.170  21.613
  444    HB2  GLN  63           HB2      GLN  63  -4.668   7.171  19.952
  445    HB3  GLN  63           HB3      GLN  63  -5.658   7.924  21.192
  446    HG2  GLN  63           HG2      GLN  63  -5.689   9.992  19.525
  447    HG3  GLN  63           HG3      GLN  63  -5.211   8.798  18.323
  448   HE21  GLN  63          HE21      GLN  63  -7.813  10.059  20.311
  449   HE22  GLN  63          HE22      GLN  63  -9.044   8.956  19.687
  450    H    ALA  64           H        ALA  64  -2.402   7.252  19.492
  451    HA   ALA  64           HA       ALA  64  -1.057   9.334  17.836
  452    HB1  ALA  64           HB1      ALA  64   0.505   8.039  19.264
  453    HB2  ALA  64           HB2      ALA  64  -0.116   6.523  18.577
  454    HB3  ALA  64           HB3      ALA  64   0.747   7.677  17.547
  455    H    VAL  65           H        VAL  65  -2.053   9.459  15.931
  456    HA   VAL  65           HA       VAL  65  -3.863   7.389  15.010
  457    HB   VAL  65           HB       VAL  65  -3.075   9.948  13.574
  458   HG11  VAL  65          HG11      VAL  65  -5.549   8.161  13.303
  459   HG12  VAL  65          HG12      VAL  65  -5.308   9.720  12.487
  460   HG13  VAL  65          HG13      VAL  65  -4.280   8.349  12.079
  461   HG21  VAL  65          HG21      VAL  65  -3.982  10.482  15.816
  462   HG22  VAL  65          HG22      VAL  65  -5.150  10.899  14.566
  463   HG23  VAL  65          HG23      VAL  65  -5.370   9.417  15.523
  464    H    ALA  66           H        ALA  66  -2.182   5.766  14.913
  465    HA   ALA  66           HA       ALA  66  -1.257   4.056  13.699
  466    HB1  ALA  66           HB1      ALA  66  -2.933   5.378  11.522
  467    HB2  ALA  66           HB2      ALA  66  -2.341   3.702  11.520
  468    HB3  ALA  66           HB3      ALA  66  -3.495   4.236  12.756
  469    H    ALA  67           H        ALA  67  -1.123   6.537  11.232
  470    HA   ALA  67           HA       ALA  67   1.578   6.790  10.552
  471    HB1  ALA  67           HB1      ALA  67   0.221   4.388   9.248
  472    HB2  ALA  67           HB2      ALA  67   1.647   5.196   8.582
  473    HB3  ALA  67           HB3      ALA  67   1.749   4.404  10.160
  474    H    GLU  68           H        GLU  68   0.316   8.816  10.468
  475    HA   GLU  68           HA       GLU  68  -1.965   9.006   8.638
  476    HB2  GLU  68           HB2      GLU  68  -2.027   9.918  10.958
  477    HB3  GLU  68           HB3      GLU  68  -0.684  10.981  10.565
  478    HG2  GLU  68           HG2      GLU  68  -2.571  12.347  10.502
  479    HG3  GLU  68           HG3      GLU  68  -2.199  12.077   8.809
  480    H    ALA  69           H        ALA  69   1.306  10.465   8.956
  481    HA   ALA  69           HA       ALA  69   0.941  12.373   6.855
  482    HB1  ALA  69           HB1      ALA  69   3.456  11.348   8.233
  483    HB2  ALA  69           HB2      ALA  69   3.356  12.797   7.217
  484    HB3  ALA  69           HB3      ALA  69   2.451  12.720   8.741
  485    H    ALA  70           H        ALA  70   0.975   9.203   6.321
  486    HA   ALA  70           HA       ALA  70   2.424   9.042   3.791
  487    HB1  ALA  70           HB1      ALA  70   0.099   7.464   4.995
  488    HB2  ALA  70           HB2      ALA  70   0.964   7.047   3.505
  489    HB3  ALA  70           HB3      ALA  70   1.826   7.027   5.059
  490    H    GLY  71           H        GLY  71  -0.680  10.421   4.834
  491    HA2  GLY  71           HA2      GLY  71  -2.051  11.856   3.512
  492    HA3  GLY  71           HA3      GLY  71  -1.196  11.351   2.056
  493    H    GLY  72           H        GLY  72  -3.670  11.467   1.586
  494    HA2  GLY  72           HA2      GLY  72  -5.291   9.147   2.056
  495    HA3  GLY  72           HA3      GLY  72  -5.487  10.313   0.740
  496    H    HIS  73           H        HIS  73  -6.148   7.930   0.058
  497    HA   HIS  73           HA       HIS  73  -3.940   6.214  -0.892
  498    HB2  HIS  73           HB2      HIS  73  -5.943   4.715  -1.648
  499    HB3  HIS  73           HB3      HIS  73  -5.429   4.795   0.010
  500    HD2  HIS  73           HD2      HIS  73  -6.912   6.809   1.515
  501    HE1  HIS  73           HE1      HIS  73 -10.582   5.637  -0.195
  502    HE2  HIS  73           HE2      HIS  73  -9.465   6.990   1.645
  503    H    LEU  74           H        LEU  74  -3.944   8.672  -1.979
  504    HA   LEU  74           HA       LEU  74  -3.701   9.862  -3.865
  505    HB2  LEU  74           HB2      LEU  74  -2.076   8.060  -4.084
  506    HB3  LEU  74           HB3      LEU  74  -3.220   7.084  -4.967
  507    HG   LEU  74           HG       LEU  74  -3.190   8.704  -6.838
  508   HD11  LEU  74          HD11      LEU  74  -1.209  10.251  -5.107
  509   HD12  LEU  74          HD12      LEU  74  -1.479  10.541  -6.842
  510   HD13  LEU  74          HD13      LEU  74  -2.792  10.814  -5.696
  511   HD21  LEU  74          HD21      LEU  74  -1.553   6.865  -6.808
  512   HD22  LEU  74          HD22      LEU  74  -0.836   8.317  -7.530
  513   HD23  LEU  74          HD23      LEU  74  -0.418   7.861  -5.867
  514    H    ASP  75           H        ASP  75  -5.714  10.520  -3.553
  515    HA   ASP  75           HA       ASP  75  -8.020   9.420  -5.009
  516    HB2  ASP  75           HB2      ASP  75  -8.962   9.135  -2.703
  517    HB3  ASP  75           HB3      ASP  75  -7.521   8.184  -2.971
  518    HA   PRO  76           HA       PRO  76  -8.740  13.737  -2.943
  519    HB2  PRO  76           HB2      PRO  76  -7.712  15.854  -4.355
  520    HB3  PRO  76           HB3      PRO  76  -6.792  14.934  -3.126
  521    HG2  PRO  76           HG2      PRO  76  -6.786  14.521  -6.139
  522    HG3  PRO  76           HG3      PRO  76  -5.373  14.708  -5.046
  523    HD2  PRO  76           HD2      PRO  76  -6.223  12.256  -5.770
  524    HD3  PRO  76           HD3      PRO  76  -5.713  12.579  -4.083
  525    H    GLN  77           H        GLN  77  -9.095  13.221  -6.488
  526    HA   GLN  77           HA       GLN  77 -11.845  14.127  -6.222
  527    HB2  GLN  77           HB2      GLN  77 -11.803  15.730  -8.063
  528    HB3  GLN  77           HB3      GLN  77 -10.840  16.248  -6.686
  529    HG2  GLN  77           HG2      GLN  77  -8.753  15.553  -7.919
  530    HG3  GLN  77           HG3      GLN  77  -9.760  15.118  -9.305
  531   HE21  GLN  77          HE21      GLN  77  -9.084  16.762 -10.840
  532   HE22  GLN  77          HE22      GLN  77  -9.373  18.452 -10.479
  533    H    ASN  78           H        ASN  78 -13.218  13.209  -7.628
  534    HA   ASN  78           HA       ASN  78 -13.082  11.539  -9.791
  535    HB2  ASN  78           HB2      ASN  78 -12.702   9.274  -8.783
  536    HB3  ASN  78           HB3      ASN  78 -11.265  10.236  -8.923
  537   HD21  ASN  78          HD21      ASN  78 -10.244  10.968  -7.055
  538   HD22  ASN  78          HD22      ASN  78 -10.716  10.506  -5.419
  539    H    THR  79           H        THR  79 -14.625   9.279  -8.752
  540    HA   THR  79           HA       THR  79 -17.174  10.575  -8.274
  541    HB   THR  79           HB       THR  79 -16.665   8.413  -9.581
  542    HG1  THR  79           HG1      THR  79 -18.789   7.952  -9.318
  543   HG21  THR  79          HG21      THR  79 -17.210   7.166  -6.844
  544   HG22  THR  79          HG22      THR  79 -17.055   6.329  -8.391
  545   HG23  THR  79          HG23      THR  79 -15.640   7.126  -7.676
  546    H    GLY  80           H        GLY  80 -14.765   9.612  -6.028
  547    HA2  GLY  80           HA2      GLY  80 -14.922  10.477  -3.807
  548    HA3  GLY  80           HA3      GLY  80 -16.671  10.157  -3.789
  549    H    LYS  81           H        LYS  81 -17.007   7.532  -4.358
  550    HA   LYS  81           HA       LYS  81 -15.878   6.357  -1.987
  551    HB2  LYS  81           HB2      LYS  81 -17.247   4.602  -2.161
  552    HB3  LYS  81           HB3      LYS  81 -18.199   5.867  -2.900
  553    HG2  LYS  81           HG2      LYS  81 -18.106   4.869  -5.033
  554    HG3  LYS  81           HG3      LYS  81 -16.600   4.010  -4.696
  555    HD2  LYS  81           HD2      LYS  81 -17.789   2.562  -3.042
  556    HD3  LYS  81           HD3      LYS  81 -19.322   3.337  -3.494
  557    HE2  LYS  81           HE2      LYS  81 -19.123   2.486  -5.776
  558    HE3  LYS  81           HE3      LYS  81 -17.474   1.927  -5.464
  559    HZ1  LYS  81           HZ1      LYS  81 -19.902   0.782  -4.153
  560    HZ2  LYS  81           HZ2      LYS  81 -19.050   0.110  -5.373
  561    HZ3  LYS  81           HZ3      LYS  81 -18.365   0.309  -3.886
  562    H    HIS  82           H        HIS  82 -14.927   4.181  -1.885
  563    HA   HIS  82           HA       HIS  82 -12.389   4.054  -3.315
  564    HB2  HIS  82           HB2      HIS  82 -12.816   3.427  -0.926
  565    HB3  HIS  82           HB3      HIS  82 -13.781   2.068  -1.495
  566    HD2  HIS  82           HD2      HIS  82 -12.529  -0.094  -1.305
  567    HE1  HIS  82           HE1      HIS  82  -8.531   1.071  -1.995
  568    HE2  HIS  82           HE2      HIS  82 -10.061  -0.856  -1.489
  569    H    GLU  83           H        GLU  83 -11.757   2.701  -5.024
  570    HA   GLU  83           HA       GLU  83 -13.940   2.076  -6.806
  571    HB2  GLU  83           HB2      GLU  83 -11.690   3.150  -7.367
  572    HB3  GLU  83           HB3      GLU  83 -10.996   1.535  -7.336
  573    HG2  GLU  83           HG2      GLU  83 -12.325   0.816  -9.195
  574    HG3  GLU  83           HG3      GLU  83 -13.446   2.157  -9.034
  575    H    GLY  84           H        GLY  84 -14.206   0.063  -7.989
  576    HA2  GLY  84           HA2      GLY  84 -13.699  -2.423  -6.388
  577    HA3  GLY  84           HA3      GLY  84 -14.990  -2.171  -7.583
  578    HA   PRO  85           HA       PRO  85 -11.586  -4.257  -9.983
  579    HB2  PRO  85           HB2      PRO  85 -13.130  -6.122 -11.242
  580    HB3  PRO  85           HB3      PRO  85 -12.497  -6.360  -9.585
  581    HG2  PRO  85           HG2      PRO  85 -15.252  -5.387 -10.403
  582    HG3  PRO  85           HG3      PRO  85 -14.838  -6.656  -9.209
  583    HD2  PRO  85           HD2      PRO  85 -15.394  -4.077  -8.493
  584    HD3  PRO  85           HD3      PRO  85 -14.197  -5.060  -7.599
  585    H    GLU  86           H        GLU  86 -14.748  -2.895 -10.656
  586    HA   GLU  86           HA       GLU  86 -13.634  -1.187 -12.621
  587    HB2  GLU  86           HB2      GLU  86 -15.240  -1.545 -14.405
  588    HB3  GLU  86           HB3      GLU  86 -14.185  -2.935 -14.202
  589    HG2  GLU  86           HG2      GLU  86 -15.965  -4.195 -13.065
  590    HG3  GLU  86           HG3      GLU  86 -17.038  -2.789 -13.142
  591    H    GLY  87           H        GLY  87 -15.659   0.310 -13.377
  592    HA2  GLY  87           HA2      GLY  87 -17.549   1.578 -12.423
  593    HA3  GLY  87           HA3      GLY  87 -16.988   1.123 -10.802
  594    H    GLN  88           H        GLN  88 -16.027   2.866  -9.822
  595    HA   GLN  88           HA       GLN  88 -13.811   4.220 -10.995
  596    HB2  GLN  88           HB2      GLN  88 -16.231   5.253 -11.897
  597    HB3  GLN  88           HB3      GLN  88 -15.961   6.247 -10.490
  598    HG2  GLN  88           HG2      GLN  88 -13.905   5.840 -12.715
  599    HG3  GLN  88           HG3      GLN  88 -15.115   7.117 -12.724
  600   HE21  GLN  88          HE21      GLN  88 -11.992   6.176 -11.423
  601   HE22  GLN  88          HE22      GLN  88 -11.845   7.523 -10.320
  602    H    GLY  89           H        GLY  89 -12.802   5.653  -9.521
  603    HA2  GLY  89           HA2      GLY  89 -13.511   6.537  -6.972
  604    HA3  GLY  89           HA3      GLY  89 -12.903   4.907  -6.781
  605    H    HIS  90           H        HIS  90 -10.820   5.206  -6.020
  606    HA   HIS  90           HA       HIS  90  -9.285   7.573  -6.832
  607    HB2  HIS  90           HB2      HIS  90  -8.312   5.537  -4.849
  608    HB3  HIS  90           HB3      HIS  90  -8.019   7.242  -4.912
  609    HD2  HIS  90           HD2      HIS  90 -10.788   8.572  -4.797
  610    HE1  HIS  90           HE1      HIS  90 -12.094   5.913  -1.787
  611    HE2  HIS  90           HE2      HIS  90 -12.594   8.077  -3.025
  612    H    LEU  91           H        LEU  91  -7.354   7.605  -7.985
  613    HA   LEU  91           HA       LEU  91  -6.961   5.406  -9.759
  614    HB2  LEU  91           HB2      LEU  91  -5.420   6.720 -10.902
  615    HB3  LEU  91           HB3      LEU  91  -6.661   7.790 -10.301
  616    HG   LEU  91           HG       LEU  91  -4.885   8.144  -8.300
  617   HD11  LEU  91          HD11      LEU  91  -3.150   7.431 -10.722
  618   HD12  LEU  91          HD12      LEU  91  -2.568   8.218  -9.248
  619   HD13  LEU  91          HD13      LEU  91  -3.178   6.560  -9.178
  620   HD21  LEU  91          HD21      LEU  91  -5.799   9.924  -9.719
  621   HD22  LEU  91          HD22      LEU  91  -4.053  10.129  -9.509
  622   HD23  LEU  91          HD23      LEU  91  -4.690   9.473 -11.034
  623    H    GLY  92           H        GLY  92  -5.233   6.237  -6.775
  624    HA2  GLY  92           HA2      GLY  92  -3.174   4.185  -7.205
  625    HA3  GLY  92           HA3      GLY  92  -3.363   5.221  -5.781
  626    H    ASP  93           H        ASP  93  -6.329   3.705  -6.401
  627    HA   ASP  93           HA       ASP  93  -5.900   1.590  -4.436
  628    HB2  ASP  93           HB2      ASP  93  -8.239   2.207  -6.269
  629    HB3  ASP  93           HB3      ASP  93  -8.210   0.906  -5.080
  630    H    LEU  94           H        LEU  94  -5.387  -0.529  -4.872
  631    HA   LEU  94           HA       LEU  94  -4.217  -1.110  -7.536
  632    HB2  LEU  94           HB2      LEU  94  -2.974   0.088  -5.163
  633    HB3  LEU  94           HB3      LEU  94  -2.187  -1.433  -5.519
  634    HG   LEU  94           HG       LEU  94  -1.312  -0.716  -7.486
  635   HD11  LEU  94          HD11      LEU  94  -3.114   1.734  -7.498
  636   HD12  LEU  94          HD12      LEU  94  -1.750   1.478  -8.597
  637   HD13  LEU  94          HD13      LEU  94  -3.139   0.392  -8.661
  638   HD21  LEU  94          HD21      LEU  94  -0.307   0.248  -5.440
  639   HD22  LEU  94          HD22      LEU  94  -0.005   1.215  -6.893
  640   HD23  LEU  94          HD23      LEU  94  -1.233   1.737  -5.724
  641    HA   PRO  95           HA       PRO  95  -5.153  -5.184  -6.693
  642    HB2  PRO  95           HB2      PRO  95  -3.249  -6.723  -7.892
  643    HB3  PRO  95           HB3      PRO  95  -4.275  -5.577  -8.812
  644    HG2  PRO  95           HG2      PRO  95  -1.455  -5.139  -7.779
  645    HG3  PRO  95           HG3      PRO  95  -2.108  -4.799  -9.413
  646    HD2  PRO  95           HD2      PRO  95  -1.883  -2.892  -7.451
  647    HD3  PRO  95           HD3      PRO  95  -3.186  -2.851  -8.684
  648    H    VAL  96           H        VAL  96  -5.034  -6.922  -5.274
  649    HA   VAL  96           HA       VAL  96  -3.580  -6.409  -2.919
  650    HB   VAL  96           HB       VAL  96  -4.470  -8.544  -2.028
  651   HG11  VAL  96          HG11      VAL  96  -6.533  -6.793  -3.433
  652   HG12  VAL  96          HG12      VAL  96  -6.802  -7.820  -2.010
  653   HG13  VAL  96          HG13      VAL  96  -5.735  -6.415  -1.895
  654   HG21  VAL  96          HG21      VAL  96  -4.557  -9.935  -4.064
  655   HG22  VAL  96          HG22      VAL  96  -6.140  -9.810  -3.296
  656   HG23  VAL  96          HG23      VAL  96  -5.794  -8.863  -4.757
  657    H    LEU  97           H        LEU  97  -1.875  -7.094  -1.986
  658    HA   LEU  97           HA       LEU  97   0.224  -8.655  -3.276
  659    HB2  LEU  97           HB2      LEU  97   0.396  -6.510  -1.811
  660    HB3  LEU  97           HB3      LEU  97   0.027  -7.497  -0.463
  661    HG   LEU  97           HG       LEU  97   2.230  -7.660  -0.187
  662   HD11  LEU  97          HD11      LEU  97   2.233  -9.456  -2.665
  663   HD12  LEU  97          HD12      LEU  97   3.521  -9.321  -1.467
  664   HD13  LEU  97          HD13      LEU  97   1.962  -9.978  -0.977
  665   HD21  LEU  97          HD21      LEU  97   2.615  -5.832  -1.690
  666   HD22  LEU  97          HD22      LEU  97   3.905  -7.016  -1.870
  667   HD23  LEU  97          HD23      LEU  97   2.624  -6.919  -3.109
  668    H    VAL  98           H        VAL  98  -1.078 -10.651  -3.452
  669    HA   VAL  98           HA       VAL  98  -1.919 -12.124  -1.128
  670    HB   VAL  98           HB       VAL  98  -1.047 -13.244  -3.818
  671   HG11  VAL  98          HG11      VAL  98  -2.699 -14.438  -1.531
  672   HG12  VAL  98          HG12      VAL  98  -2.545 -15.164  -3.144
  673   HG13  VAL  98          HG13      VAL  98  -1.119 -15.016  -2.111
  674   HG21  VAL  98          HG21      VAL  98  -2.865 -11.668  -4.153
  675   HG22  VAL  98          HG22      VAL  98  -3.517 -13.302  -4.279
  676   HG23  VAL  98          HG23      VAL  98  -3.780 -12.360  -2.797
  677    H    VAL  99           H        VAL  99  -0.833 -13.364   0.311
  678    HA   VAL  99           HA       VAL  99   2.098 -13.845  -0.121
  679    HB   VAL  99           HB       VAL  99   2.456 -13.804   2.279
  680   HG11  VAL  99          HG11      VAL  99   0.998 -11.308   1.371
  681   HG12  VAL  99          HG12      VAL  99   2.057 -11.442   2.785
  682   HG13  VAL  99          HG13      VAL  99   2.690 -11.665   1.135
  683   HG21  VAL  99          HG21      VAL  99   0.099 -14.521   2.902
  684   HG22  VAL  99          HG22      VAL  99   1.010 -13.416   3.952
  685   HG23  VAL  99          HG23      VAL  99  -0.266 -12.788   2.909
  686    H    ASN 100           H        ASN 100   2.862 -15.956   0.657
  687    HA   ASN 100           HA       ASN 100   0.953 -18.000  -0.077
  688    HB2  ASN 100           HB2      ASN 100   2.712 -19.567   0.083
  689    HB3  ASN 100           HB3      ASN 100   3.330 -18.120  -0.690
  690   HD21  ASN 100          HD21      ASN 100   3.154 -17.856   2.821
  691   HD22  ASN 100          HD22      ASN 100   4.835 -18.335   3.092
  692    H    ASN 101           H        ASN 101   0.360 -19.871   1.177
  693    HA   ASN 101           HA       ASN 101  -1.024 -19.538   3.510
  694    HB2  ASN 101           HB2      ASN 101  -1.316 -21.354   2.029
  695    HB3  ASN 101           HB3      ASN 101   0.325 -21.973   2.302
  696   HD21  ASN 101          HD21      ASN 101   0.769 -23.149   4.271
  697   HD22  ASN 101          HD22      ASN 101  -0.573 -23.796   5.206
  698    H    ASP 102           H        ASP 102   2.353 -19.865   3.348
  699    HA   ASP 102           HA       ASP 102   2.781 -20.736   6.129
  700    HB2  ASP 102           HB2      ASP 102   4.693 -20.559   3.765
  701    HB3  ASP 102           HB3      ASP 102   5.033 -21.292   5.324
  702    H    GLY 103           H        GLY 103   2.323 -17.788   4.880
  703    HA2  GLY 103           HA2      GLY 103   2.491 -15.857   6.118
  704    HA3  GLY 103           HA3      GLY 103   3.814 -16.545   7.078
  705    H    ILE 104           H        ILE 104   4.029 -16.289   3.554
  706    HA   ILE 104           HA       ILE 104   6.002 -14.063   3.770
  707    HB   ILE 104           HB       ILE 104   6.509 -16.806   2.489
  708   HG12  ILE 104          HG12      ILE 104   7.576 -15.655   5.100
  709   HG13  ILE 104          HG13      ILE 104   6.566 -17.086   4.893
  710   HG21  ILE 104          HG21      ILE 104   8.571 -14.612   2.885
  711   HG22  ILE 104          HG22      ILE 104   8.745 -16.130   1.993
  712   HG23  ILE 104          HG23      ILE 104   7.703 -14.879   1.355
  713   HD11  ILE 104          HD11      ILE 104   9.480 -16.819   4.120
  714   HD12  ILE 104          HD12      ILE 104   8.753 -17.854   5.358
  715   HD13  ILE 104          HD13      ILE 104   8.433 -18.182   3.642
  716    H    ALA 105           H        ALA 105   6.213 -12.804   2.119
  717    HA   ALA 105           HA       ALA 105   4.207 -12.850  -0.031
  718    HB1  ALA 105           HB1      ALA 105   6.269 -10.743   0.795
  719    HB2  ALA 105           HB2      ALA 105   4.815 -10.509  -0.203
  720    HB3  ALA 105           HB3      ALA 105   4.670 -10.863   1.519
  721    H    THR 106           H        THR 106   4.760 -13.790  -1.878
  722    HA   THR 106           HA       THR 106   7.478 -13.449  -3.074
  723    HB   THR 106           HB       THR 106   7.294 -15.420  -1.558
  724    HG1  THR 106           HG1      THR 106   8.445 -16.679  -2.861
  725   HG21  THR 106          HG21      THR 106   5.556 -16.610  -3.761
  726   HG22  THR 106          HG22      THR 106   6.187 -17.444  -2.325
  727   HG23  THR 106          HG23      THR 106   4.984 -16.165  -2.136
  728    H    GLU 107           H        GLU 107   4.208 -13.163  -3.617
  729    HA   GLU 107           HA       GLU 107   4.002 -14.294  -6.265
  730    HB2  GLU 107           HB2      GLU 107   2.180 -12.559  -4.582
  731    HB3  GLU 107           HB3      GLU 107   1.743 -13.118  -6.190
  732    HG2  GLU 107           HG2      GLU 107   2.518 -15.055  -3.967
  733    HG3  GLU 107           HG3      GLU 107   0.885 -14.446  -4.171
  734    HA   PRO 108           HA       PRO 108   5.330 -10.320  -8.263
  735    HB2  PRO 108           HB2      PRO 108   5.384 -11.240 -10.821
  736    HB3  PRO 108           HB3      PRO 108   6.689 -11.561  -9.644
  737    HG2  PRO 108           HG2      PRO 108   4.414 -13.388 -10.444
  738    HG3  PRO 108           HG3      PRO 108   6.138 -13.789 -10.232
  739    HD2  PRO 108           HD2      PRO 108   4.273 -14.265  -8.308
  740    HD3  PRO 108           HD3      PRO 108   5.969 -13.855  -7.920
  741    H    VAL 109           H        VAL 109   3.855  -8.788  -8.620
  742    HA   VAL 109           HA       VAL 109   1.450  -9.304 -10.306
  743    HB   VAL 109           HB       VAL 109   0.017  -7.967  -8.872
  744   HG11  VAL 109          HG11      VAL 109   1.203 -10.264  -7.263
  745   HG12  VAL 109          HG12      VAL 109  -0.420  -9.567  -7.104
  746   HG13  VAL 109          HG13      VAL 109   0.025 -10.427  -8.587
  747   HG21  VAL 109          HG21      VAL 109   1.610  -6.527  -7.722
  748   HG22  VAL 109          HG22      VAL 109   0.625  -7.395  -6.542
  749   HG23  VAL 109          HG23      VAL 109   2.294  -7.918  -6.844
  750    H    THR 110           H        THR 110   0.411  -6.965 -10.831
  751    HA   THR 110           HA       THR 110   2.524  -4.893 -11.208
  752    HB   THR 110           HB       THR 110   0.932  -6.144 -13.497
  753    HG1  THR 110           HG1      THR 110   2.704  -7.210 -14.009
  754   HG21  THR 110          HG21      THR 110   3.223  -4.123 -13.540
  755   HG22  THR 110          HG22      THR 110   2.433  -4.835 -14.959
  756   HG23  THR 110          HG23      THR 110   1.522  -3.771 -13.883
  757    H    ALA 111           H        ALA 111   1.728  -2.875 -11.275
  758    HA   ALA 111           HA       ALA 111  -1.241  -2.510 -11.221
  759    HB1  ALA 111           HB1      ALA 111   0.984  -0.841 -10.006
  760    HB2  ALA 111           HB2      ALA 111  -0.750  -0.480  -9.927
  761    HB3  ALA 111           HB3      ALA 111  -0.107  -1.944  -9.145
  762    HA   PRO 112           HA       PRO 112  -0.119  -0.389 -15.187
  763    HB2  PRO 112           HB2      PRO 112  -2.462  -0.850 -16.533
  764    HB3  PRO 112           HB3      PRO 112  -1.199  -2.094 -16.355
  765    HG2  PRO 112           HG2      PRO 112  -3.674  -1.714 -14.644
  766    HG3  PRO 112           HG3      PRO 112  -3.095  -3.218 -15.435
  767    HD2  PRO 112           HD2      PRO 112  -2.557  -2.687 -12.839
  768    HD3  PRO 112           HD3      PRO 112  -1.332  -3.466 -13.882
  769    H    ARG 113           H        ARG 113  -1.697   0.572 -12.597
  770    HA   ARG 113           HA       ARG 113  -3.509   2.654 -13.669
  771    HB2  ARG 113           HB2      ARG 113  -2.628   1.920 -10.849
  772    HB3  ARG 113           HB3      ARG 113  -3.802   3.177 -11.222
  773    HG2  ARG 113           HG2      ARG 113  -4.224   0.288 -12.084
  774    HG3  ARG 113           HG3      ARG 113  -4.642   0.831 -10.471
  775    HD2  ARG 113           HD2      ARG 113  -5.752   2.256 -12.911
  776    HD3  ARG 113           HD3      ARG 113  -6.471   0.769 -12.275
  777    HE   ARG 113           HE       ARG 113  -6.068   2.793 -10.213
  778   HH11  ARG 113          HH11      ARG 113  -8.391   1.663 -12.705
  779   HH12  ARG 113          HH12      ARG 113  -9.753   2.200 -11.729
  780   HH21  ARG 113          HH21      ARG 113  -7.973   3.469  -9.104
  781   HH22  ARG 113          HH22      ARG 113  -9.497   3.394  -9.949
  782    H    LEU 114           H        LEU 114  -0.198   2.305 -12.676
  783    HA   LEU 114           HA       LEU 114   0.346   5.169 -13.178
  784    HB2  LEU 114           HB2      LEU 114   1.475   3.575 -10.825
  785    HB3  LEU 114           HB3      LEU 114   2.081   5.115 -11.419
  786    HG   LEU 114           HG       LEU 114  -0.450   5.916 -11.029
  787   HD11  LEU 114          HD11      LEU 114  -0.101   3.684  -8.955
  788   HD12  LEU 114          HD12      LEU 114  -1.366   4.928  -8.928
  789   HD13  LEU 114          HD13      LEU 114  -1.341   3.732 -10.217
  790   HD21  LEU 114          HD21      LEU 114   1.577   6.859  -9.972
  791   HD22  LEU 114          HD22      LEU 114   0.229   6.748  -8.837
  792   HD23  LEU 114          HD23      LEU 114   1.534   5.548  -8.763
  793    H    LYS 115           H        LYS 115   2.228   5.486 -14.362
  794    HA   LYS 115           HA       LYS 115   3.145   2.937 -15.614
  795    HB2  LYS 115           HB2      LYS 115   1.991   5.347 -16.710
  796    HB3  LYS 115           HB3      LYS 115   3.641   5.195 -17.298
  797    HG2  LYS 115           HG2      LYS 115   2.285   4.021 -18.837
  798    HG3  LYS 115           HG3      LYS 115   3.151   2.789 -17.921
  799    HD2  LYS 115           HD2      LYS 115   1.091   2.510 -16.456
  800    HD3  LYS 115           HD3      LYS 115   0.251   3.667 -17.486
  801    HE2  LYS 115           HE2      LYS 115   1.378   0.951 -18.298
  802    HE3  LYS 115           HE3      LYS 115  -0.330   1.374 -18.093
  803    HZ1  LYS 115           HZ1      LYS 115   1.512   2.433 -20.164
  804    HZ2  LYS 115           HZ2      LYS 115   0.271   1.428 -20.423
  805    HZ3  LYS 115           HZ3      LYS 115   0.012   3.004 -19.953
  806    H    SER 116           H        SER 116   4.470   5.743 -14.044
  807    HA   SER 116           HA       SER 116   7.166   4.469 -14.331
  808    HB2  SER 116           HB2      SER 116   6.777   6.028 -16.242
  809    HB3  SER 116           HB3      SER 116   6.643   7.360 -15.075
  810    HG   SER 116           HG       SER 116   8.734   7.387 -14.959
  811    H    LEU 117           H        LEU 117   8.856   5.286 -12.913
  812    HA   LEU 117           HA       LEU 117   7.956   5.693 -10.237
  813    HB2  LEU 117           HB2      LEU 117  10.713   6.105 -11.491
  814    HB3  LEU 117           HB3      LEU 117  10.370   6.329  -9.793
  815    HG   LEU 117           HG       LEU 117  11.395   4.322  -9.809
  816   HD11  LEU 117          HD11      LEU 117   8.464   3.505  -9.873
  817   HD12  LEU 117          HD12      LEU 117   9.798   2.644  -9.083
  818   HD13  LEU 117          HD13      LEU 117   9.314   4.242  -8.489
  819   HD21  LEU 117          HD21      LEU 117  11.372   3.859 -12.248
  820   HD22  LEU 117          HD22      LEU 117  11.098   2.430 -11.250
  821   HD23  LEU 117          HD23      LEU 117   9.719   3.214 -12.067
  822    H    ASP 118           H        ASP 118   8.811   8.129 -12.697
  823    HA   ASP 118           HA       ASP 118   8.943  10.333 -10.899
  824    HB2  ASP 118           HB2      ASP 118   8.587  11.714 -12.980
  825    HB3  ASP 118           HB3      ASP 118   9.975  10.649 -12.910
  826    H    GLU 119           H        GLU 119   6.096   8.594 -11.837
  827    HA   GLU 119           HA       GLU 119   4.219  10.749 -11.166
  828    HB2  GLU 119           HB2      GLU 119   3.933   7.718 -11.309
  829    HB3  GLU 119           HB3      GLU 119   2.605   8.809 -10.921
  830    HG2  GLU 119           HG2      GLU 119   2.614   9.823 -13.067
  831    HG3  GLU 119           HG3      GLU 119   4.190   9.146 -13.481
  832    H    VAL 120           H        VAL 120   6.312   8.692  -9.336
  833    HA   VAL 120           HA       VAL 120   4.783   9.119  -6.809
  834    HB   VAL 120           HB       VAL 120   5.171   6.762  -6.226
  835   HG11  VAL 120          HG11      VAL 120   3.772   7.007  -8.909
  836   HG12  VAL 120          HG12      VAL 120   3.541   5.753  -7.693
  837   HG13  VAL 120          HG13      VAL 120   3.057   7.419  -7.339
  838   HG21  VAL 120          HG21      VAL 120   7.203   6.344  -7.705
  839   HG22  VAL 120          HG22      VAL 120   5.939   5.110  -7.844
  840   HG23  VAL 120          HG23      VAL 120   6.106   6.342  -9.102
  841    H    LYS 121           H        LYS 121   7.505   9.967  -8.110
  842    HA   LYS 121           HA       LYS 121   9.753   9.453  -6.628
  843    HB2  LYS 121           HB2      LYS 121  10.363  11.806  -7.289
  844    HB3  LYS 121           HB3      LYS 121   9.629  10.893  -8.615
  845    HG2  LYS 121           HG2      LYS 121   7.447  11.968  -8.203
  846    HG3  LYS 121           HG3      LYS 121   8.111  12.798  -6.789
  847    HD2  LYS 121           HD2      LYS 121   9.439  14.247  -8.131
  848    HD3  LYS 121           HD3      LYS 121   9.118  13.299  -9.595
  849    HE2  LYS 121           HE2      LYS 121   7.709  15.388  -9.415
  850    HE3  LYS 121           HE3      LYS 121   6.800  13.884  -9.618
  851    HZ1  LYS 121           HZ1      LYS 121   7.172  15.263  -7.002
  852    HZ2  LYS 121           HZ2      LYS 121   5.813  15.311  -7.885
  853    HZ3  LYS 121           HZ3      LYS 121   6.314  13.890  -7.239
  854    H    ASP 122           H        ASP 122   6.984  11.036  -5.364
  855    HA   ASP 122           HA       ASP 122   8.386  12.220  -3.009
  856    HB2  ASP 122           HB2      ASP 122   6.478  13.827  -3.057
  857    HB3  ASP 122           HB3      ASP 122   7.437  13.838  -4.528
  858    H    LYS 123           H        LYS 123   6.931   9.429  -3.513
  859    HA   LYS 123           HA       LYS 123   4.813   9.658  -1.415
  860    HB2  LYS 123           HB2      LYS 123   4.884   8.043  -3.997
  861    HB3  LYS 123           HB3      LYS 123   3.582   8.020  -2.807
  862    HG2  LYS 123           HG2      LYS 123   3.365  10.528  -3.096
  863    HG3  LYS 123           HG3      LYS 123   4.514  10.400  -4.447
  864    HD2  LYS 123           HD2      LYS 123   2.980   8.888  -5.639
  865    HD3  LYS 123           HD3      LYS 123   1.862   8.922  -4.280
  866    HE2  LYS 123           HE2      LYS 123   1.037  10.443  -5.862
  867    HE3  LYS 123           HE3      LYS 123   1.669  11.395  -4.506
  868    HZ1  LYS 123           HZ1      LYS 123   3.144  10.975  -7.065
  869    HZ2  LYS 123           HZ2      LYS 123   2.368  12.360  -6.588
  870    HZ3  LYS 123           HZ3      LYS 123   3.670  11.856  -5.764
  871    H    ALA 124           H        ALA 124   4.012   7.660  -0.532
  872    HA   ALA 124           HA       ALA 124   6.096   5.554  -0.116
  873    HB1  ALA 124           HB1      ALA 124   3.995   6.667   1.792
  874    HB2  ALA 124           HB2      ALA 124   5.036   5.256   2.132
  875    HB3  ALA 124           HB3      ALA 124   5.755   6.853   1.916
  876    H    LEU 125           H        LEU 125   5.317   3.438   0.270
  877    HA   LEU 125           HA       LEU 125   2.653   2.744  -0.913
  878    HB2  LEU 125           HB2      LEU 125   4.892   0.754  -0.998
  879    HB3  LEU 125           HB3      LEU 125   3.434   0.892  -1.935
  880    HG   LEU 125           HG       LEU 125   4.702   3.055  -2.940
  881   HD11  LEU 125          HD11      LEU 125   6.920   1.177  -1.974
  882   HD12  LEU 125          HD12      LEU 125   7.136   2.455  -3.170
  883   HD13  LEU 125          HD13      LEU 125   6.703   2.878  -1.507
  884   HD21  LEU 125          HD21      LEU 125   3.968   1.167  -4.321
  885   HD22  LEU 125          HD22      LEU 125   5.623   1.594  -4.735
  886   HD23  LEU 125          HD23      LEU 125   5.303   0.179  -3.704
  887    H    MET 126           H        MET 126   1.550   1.082   0.192
  888    HA   MET 126           HA       MET 126   2.888   0.021   2.662
  889    HB2  MET 126           HB2      MET 126  -0.038   0.838   2.524
  890    HB3  MET 126           HB3      MET 126   0.827   0.107   3.881
  891    HG2  MET 126           HG2      MET 126   0.904   2.332   4.513
  892    HG3  MET 126           HG3      MET 126   2.429   2.172   3.666
  893    HE1  MET 126           HE1      MET 126   3.148   4.111   2.628
  894    HE2  MET 126           HE2      MET 126   2.128   5.512   2.225
  895    HE3  MET 126           HE3      MET 126   2.178   4.869   3.888
  896    H    ILE 127           H        ILE 127   2.625  -1.989   3.188
  897    HA   ILE 127           HA       ILE 127   0.843  -3.808   1.603
  898    HB   ILE 127           HB       ILE 127   3.132  -4.356   3.523
  899   HG12  ILE 127          HG12      ILE 127   2.533  -5.160   0.628
  900   HG13  ILE 127          HG13      ILE 127   3.621  -3.871   1.107
  901   HG21  ILE 127          HG21      ILE 127   1.277  -6.450   2.313
  902   HG22  ILE 127          HG22      ILE 127   2.640  -6.735   3.411
  903   HG23  ILE 127          HG23      ILE 127   1.198  -5.941   4.017
  904   HD11  ILE 127          HD11      ILE 127   4.020  -6.842   1.596
  905   HD12  ILE 127          HD12      ILE 127   4.944  -5.776   0.536
  906   HD13  ILE 127          HD13      ILE 127   5.052  -5.570   2.296
  907    H    HIS 128           H        HIS 128  -1.074  -3.557   2.224
  908    HA   HIS 128           HA       HIS 128  -1.899  -2.560   4.812
  909    HB2  HIS 128           HB2      HIS 128  -2.897  -2.801   2.076
  910    HB3  HIS 128           HB3      HIS 128  -4.142  -3.145   3.198
  911    HD1  HIS 128           HD1      HIS 128  -4.835  -1.099   4.820
  912    HD2  HIS 128           HD2      HIS 128  -2.202  -0.356   1.665
  913    HE1  HIS 128           HE1      HIS 128  -5.018   1.428   4.319
  914    H    VAL 129           H        VAL 129  -3.442  -3.604   6.268
  915    HA   VAL 129           HA       VAL 129  -2.257  -6.062   7.021
  916    HB   VAL 129           HB       VAL 129  -4.728  -4.662   8.055
  917   HG11  VAL 129          HG11      VAL 129  -3.424  -7.165   9.231
  918   HG12  VAL 129          HG12      VAL 129  -4.583  -6.126  10.089
  919   HG13  VAL 129          HG13      VAL 129  -5.103  -7.012   8.658
  920   HG21  VAL 129          HG21      VAL 129  -2.487  -3.614   8.454
  921   HG22  VAL 129          HG22      VAL 129  -3.212  -4.158   9.972
  922   HG23  VAL 129          HG23      VAL 129  -1.926  -5.104   9.209
  923    H    GLY 130           H        GLY 130  -5.498  -5.576   5.606
  924    HA2  GLY 130           HA2      GLY 130  -5.532  -8.455   4.760
  925    HA3  GLY 130           HA3      GLY 130  -7.000  -7.589   5.257
  926    H    GLY 131           H        GLY 131  -6.916  -8.715   2.794
  927    HA2  GLY 131           HA2      GLY 131  -6.230  -6.969   0.649
  928    HA3  GLY 131           HA3      GLY 131  -7.418  -8.270   0.587
  929    H    ASP 132           H        ASP 132  -7.502  -5.752  -0.694
  930    HA   ASP 132           HA       ASP 132  -8.973  -3.854   1.012
  931    HB2  ASP 132           HB2      ASP 132  -6.762  -3.327   0.224
  932    HB3  ASP 132           HB3      ASP 132  -7.177  -3.748  -1.437
  933    H    ASN 133           H        ASN 133  -9.594  -5.647  -1.936
  934    HA   ASN 133           HA       ASN 133 -11.112  -3.621  -3.244
  935    HB2  ASN 133           HB2      ASN 133 -11.424  -5.233  -4.984
  936    HB3  ASN 133           HB3      ASN 133  -9.787  -5.398  -4.363
  937   HD21  ASN 133          HD21      ASN 133 -13.063  -6.873  -4.284
  938   HD22  ASN 133          HD22      ASN 133 -12.460  -8.495  -3.944
  939    H    MET 134           H        MET 134 -12.229  -4.874  -0.553
  940    HA   MET 134           HA       MET 134 -14.937  -5.742  -1.385
  941    HB2  MET 134           HB2      MET 134 -13.658  -5.479   1.361
  942    HB3  MET 134           HB3      MET 134 -15.309  -6.040   1.061
  943    HG2  MET 134           HG2      MET 134 -14.441  -7.873  -0.351
  944    HG3  MET 134           HG3      MET 134 -12.786  -7.362  -0.034
  945    HE1  MET 134           HE1      MET 134 -12.466  -6.759   2.975
  946    HE2  MET 134           HE2      MET 134 -12.108  -8.378   3.597
  947    HE3  MET 134           HE3      MET 134 -11.426  -7.859   2.044
  948    H    SER 135           H        SER 135 -14.735  -3.501  -2.478
  949    HA   SER 135           HA       SER 135 -15.049  -1.121  -0.958
  950    HB2  SER 135           HB2      SER 135 -15.362  -1.576  -3.949
  951    HB3  SER 135           HB3      SER 135 -14.941  -0.063  -3.128
  952    HG   SER 135           HG       SER 135 -13.096  -1.145  -3.981
  953    H    ASP 136           H        ASP 136 -17.327  -2.788  -0.442
  954    HA   ASP 136           HA       ASP 136 -19.617  -1.435  -1.814
  955    HB2  ASP 136           HB2      ASP 136 -18.936  -3.736  -2.543
  956    HB3  ASP 136           HB3      ASP 136 -19.265  -4.316  -0.912
  957    H    GLN 137           H        GLN 137 -18.375  -0.854   0.882
  958    HA   GLN 137           HA       GLN 137 -20.713  -1.121   2.668
  959    HB2  GLN 137           HB2      GLN 137 -19.370  -2.229   4.400
  960    HB3  GLN 137           HB3      GLN 137 -19.347  -3.194   2.926
  961    HG2  GLN 137           HG2      GLN 137 -17.098  -2.174   2.362
  962    HG3  GLN 137           HG3      GLN 137 -17.137  -1.336   3.906
  963   HE21  GLN 137          HE21      GLN 137 -15.756  -3.914   2.446
  964   HE22  GLN 137          HE22      GLN 137 -15.486  -4.877   3.910
  965    HA   PRO 138           HA       PRO 138 -19.229   2.878   3.954
  966    HB2  PRO 138           HB2      PRO 138 -20.295   3.210   6.449
  967    HB3  PRO 138           HB3      PRO 138 -21.300   3.086   4.976
  968    HG2  PRO 138           HG2      PRO 138 -20.562   0.857   6.908
  969    HG3  PRO 138           HG3      PRO 138 -22.200   1.326   6.344
  970    HD2  PRO 138           HD2      PRO 138 -20.825  -0.687   5.160
  971    HD3  PRO 138           HD3      PRO 138 -21.806   0.444   4.182
  972    H    LYS 139           H        LYS 139 -17.662   0.221   4.990
  973    HA   LYS 139           HA       LYS 139 -15.728   1.733   6.691
  974    HB2  LYS 139           HB2      LYS 139 -16.148  -1.258   6.460
  975    HB3  LYS 139           HB3      LYS 139 -14.904  -0.482   7.426
  976    HG2  LYS 139           HG2      LYS 139 -17.891  -0.027   7.918
  977    HG3  LYS 139           HG3      LYS 139 -17.000  -1.371   8.592
  978    HD2  LYS 139           HD2      LYS 139 -17.186   0.275  10.272
  979    HD3  LYS 139           HD3      LYS 139 -15.494   0.160   9.796
  980    HE2  LYS 139           HE2      LYS 139 -15.659   2.259   8.543
  981    HE3  LYS 139           HE3      LYS 139 -17.409   2.340   8.821
  982    HZ1  LYS 139           HZ1      LYS 139 -15.377   2.356  10.976
  983    HZ2  LYS 139           HZ2      LYS 139 -16.049   3.728  10.374
  984    HZ3  LYS 139           HZ3      LYS 139 -16.991   2.638  11.155
  985    HA   PRO 140           HA       PRO 140 -14.072   1.554   2.488
  986    HB2  PRO 140           HB2      PRO 140 -12.184   3.544   2.634
  987    HB3  PRO 140           HB3      PRO 140 -13.944   3.859   2.533
  988    HG2  PRO 140           HG2      PRO 140 -12.216   3.744   5.029
  989    HG3  PRO 140           HG3      PRO 140 -13.376   5.027   4.546
  990    HD2  PRO 140           HD2      PRO 140 -14.086   3.067   6.268
  991    HD3  PRO 140           HD3      PRO 140 -15.240   3.645   5.021
  992    H    LEU 141           H        LEU 141 -11.932   1.249   1.452
  993    HA   LEU 141           HA       LEU 141 -10.098  -0.021   1.084
  994    HB2  LEU 141           HB2      LEU 141  -9.330   0.387   3.990
  995    HB3  LEU 141           HB3      LEU 141  -8.284   0.013   2.629
  996    HG   LEU 141           HG       LEU 141  -9.705   2.640   3.222
  997   HD11  LEU 141          HD11      LEU 141  -6.767   1.927   2.863
  998   HD12  LEU 141          HD12      LEU 141  -7.410   3.551   3.189
  999   HD13  LEU 141          HD13      LEU 141  -7.591   2.287   4.404
 1000   HD21  LEU 141          HD21      LEU 141  -9.949   2.476   0.849
 1001   HD22  LEU 141          HD22      LEU 141  -8.530   3.486   1.136
 1002   HD23  LEU 141          HD23      LEU 141  -8.322   1.799   0.650
 1003    H    GLY 142           H        GLY 142 -12.568  -1.253   1.877
 1004    HA2  GLY 142           HA2      GLY 142 -13.431  -3.356   2.133
 1005    HA3  GLY 142           HA3      GLY 142 -11.766  -4.000   2.125
 1006    H    GLY 143           H        GLY 143 -11.991  -1.715   4.565
 1007    HA2  GLY 143           HA2      GLY 143 -12.172  -1.985   6.928
 1008    HA3  GLY 143           HA3      GLY 143 -12.472  -3.730   6.712
 1009    H    GLY 144           H        GLY 144 -10.038  -3.474   4.660
 1010    HA2  GLY 144           HA2      GLY 144  -7.943  -4.289   6.545
 1011    HA3  GLY 144           HA3      GLY 144  -7.873  -4.270   4.760
 1012    H    GLY 145           H        GLY 145  -8.854  -1.416   6.515
 1013    HA2  GLY 145           HA2      GLY 145  -7.015   0.199   5.066
 1014    HA3  GLY 145           HA3      GLY 145  -8.096   0.758   6.366
 1015    H    THR 146           H        THR 146  -6.499  -1.365   8.110
 1016    HA   THR 146           HA       THR 146  -4.353   0.377   9.049
 1017    HB   THR 146           HB       THR 146  -3.788  -1.780  10.382
 1018    HG1  THR 146           HG1      THR 146  -5.784  -3.080  10.494
 1019   HG21  THR 146          HG21      THR 146  -6.534  -0.481  10.727
 1020   HG22  THR 146          HG22      THR 146  -5.626  -1.368  11.969
 1021   HG23  THR 146          HG23      THR 146  -5.000   0.165  11.347
 1022    H    ARG 147           H        ARG 147  -2.125  -0.045   8.877
 1023    HA   ARG 147           HA       ARG 147  -1.336  -1.576   6.446
 1024    HB2  ARG 147           HB2      ARG 147   0.854  -0.047   7.085
 1025    HB3  ARG 147           HB3      ARG 147  -0.271   0.203   5.783
 1026    HG2  ARG 147           HG2      ARG 147  -0.678   1.546   8.476
 1027    HG3  ARG 147           HG3      ARG 147   0.365   2.202   7.216
 1028    HD2  ARG 147           HD2      ARG 147  -1.544   2.220   5.616
 1029    HD3  ARG 147           HD3      ARG 147  -2.616   1.687   6.914
 1030    HE   ARG 147           HE       ARG 147  -1.011   4.211   7.122
 1031   HH11  ARG 147          HH11      ARG 147  -4.314   2.780   7.124
 1032   HH12  ARG 147          HH12      ARG 147  -4.989   4.293   7.664
 1033   HH21  ARG 147          HH21      ARG 147  -2.047   6.083   7.717
 1034   HH22  ARG 147          HH22      ARG 147  -3.779   6.108   7.911
 1035    H    TYR 148           H        TYR 148   0.037  -3.271   6.611
 1036    HA   TYR 148           HA       TYR 148   0.927  -4.100   9.325
 1037    HB2  TYR 148           HB2      TYR 148  -0.143  -5.680   7.555
 1038    HB3  TYR 148           HB3      TYR 148   1.397  -5.699   6.725
 1039    HD1  TYR 148           HD1      TYR 148  -0.266  -6.414   9.985
 1040    HD2  TYR 148           HD2      TYR 148   3.181  -7.108   7.473
 1041    HE1  TYR 148           HE1      TYR 148   0.457  -8.259  11.483
 1042    HE2  TYR 148           HE2      TYR 148   3.927  -8.903   9.007
 1043    HH   TYR 148           HH       TYR 148   3.393 -10.199  10.860
 1044    H    ALA 149           H        ALA 149   2.237  -3.135   6.137
 1045    HA   ALA 149           HA       ALA 149   4.636  -2.102   7.502
 1046    HB1  ALA 149           HB1      ALA 149   4.847  -3.953   5.080
 1047    HB2  ALA 149           HB2      ALA 149   6.185  -3.211   5.981
 1048    HB3  ALA 149           HB3      ALA 149   5.188  -4.448   6.752
 1049    H    CYS 150           H        CYS 150   5.842  -0.576   6.310
 1050    HA   CYS 150           HA       CYS 150   4.548   0.780   4.005
 1051    HB2  CYS 150           HB2      CYS 150   3.591   1.707   6.053
 1052    HB3  CYS 150           HB3      CYS 150   5.197   1.936   6.741
 1053    H    GLY 151           H        GLY 151   5.963   2.170   2.863
 1054    HA2  GLY 151           HA2      GLY 151   8.691   2.677   3.727
 1055    HA3  GLY 151           HA3      GLY 151   8.639   1.529   2.407
 1056    H    VAL 152           H        VAL 152   9.761   4.210   2.482
 1057    HA   VAL 152           HA       VAL 152   8.092   5.858   0.695
 1058    HB   VAL 152           HB       VAL 152   9.141   6.832   2.701
 1059   HG11  VAL 152          HG11      VAL 152  11.814   6.538   1.269
 1060   HG12  VAL 152          HG12      VAL 152  11.507   7.336   2.820
 1061   HG13  VAL 152          HG13      VAL 152  11.295   5.587   2.678
 1062   HG21  VAL 152          HG21      VAL 152   8.501   8.259   0.774
 1063   HG22  VAL 152          HG22      VAL 152   9.866   8.915   1.695
 1064   HG23  VAL 152          HG23      VAL 152  10.159   8.129   0.141
 1065    H    ILE 153           H        ILE 153   8.784   6.658  -1.305
 1066    HA   ILE 153           HA       ILE 153  10.538   4.874  -2.897
 1067    HB   ILE 153           HB       ILE 153   8.540   7.069  -3.559
 1068   HG12  ILE 153          HG12      ILE 153   8.501   4.068  -4.111
 1069   HG13  ILE 153          HG13      ILE 153   7.737   4.803  -2.698
 1070   HG21  ILE 153          HG21      ILE 153  10.110   5.363  -5.536
 1071   HG22  ILE 153          HG22      ILE 153   8.774   6.440  -5.947
 1072   HG23  ILE 153          HG23      ILE 153  10.257   7.125  -5.325
 1073   HD11  ILE 153          HD11      ILE 153   6.938   5.229  -5.575
 1074   HD12  ILE 153          HD12      ILE 153   6.040   4.383  -4.322
 1075   HD13  ILE 153          HD13      ILE 153   6.267   6.134  -4.189
 1076    H    LYS 154           H        LYS 154  12.225   5.479  -4.121
 1077    HA   LYS 154           HA       LYS 154  13.500   8.146  -3.628
 1078    HB2  LYS 154           HB2      LYS 154  14.909   5.480  -4.145
 1079    HB3  LYS 154           HB3      LYS 154  15.644   7.041  -3.786
 1080    HG2  LYS 154           HG2      LYS 154  15.786   6.197  -1.690
 1081    HG3  LYS 154           HG3      LYS 154  14.145   6.832  -1.556
 1082    HD2  LYS 154           HD2      LYS 154  13.390   4.450  -2.370
 1083    HD3  LYS 154           HD3      LYS 154  15.047   3.956  -2.053
 1084    HE2  LYS 154           HE2      LYS 154  13.052   5.150  -0.078
 1085    HE3  LYS 154           HE3      LYS 154  13.546   3.459  -0.163
 1086    HZ1  LYS 154           HZ1      LYS 154  15.251   5.762   0.603
 1087    HZ2  LYS 154           HZ2      LYS 154  14.741   4.579   1.583
 1088    HZ3  LYS 154           HZ3      LYS 154  15.845   4.238   0.411
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1  12.100  -0.723 -15.214
    2    H2   ALA   1           H2       ALA   1  12.043   0.253 -16.534
    3    H3   ALA   1           H3       ALA   1  10.847   0.297 -15.391
    4    HA   ALA   1           HA       ALA   1  13.672   1.063 -15.004
    5    HB1  ALA   1           HB1      ALA   1  11.238   2.892 -14.991
    6    HB2  ALA   1           HB2      ALA   1  12.926   3.361 -14.722
    7    HB3  ALA   1           HB3      ALA   1  12.419   2.760 -16.314
    8    H    SER   2           H        SER   2  14.221   1.711 -12.711
    9    HA   SER   2           HA       SER   2  12.600  -0.249 -11.085
   10    HB2  SER   2           HB2      SER   2  15.607  -0.003 -11.127
   11    HB3  SER   2           HB3      SER   2  14.600  -1.289 -10.433
   12    HG   SER   2           HG       SER   2  15.489  -1.951 -12.428
   13    H    GLU   3           H        GLU   3  12.265  -0.107  -9.032
   14    HA   GLU   3           HA       GLU   3  14.013   1.429  -7.313
   15    HB2  GLU   3           HB2      GLU   3  12.624   3.270  -7.848
   16    HB3  GLU   3           HB3      GLU   3  11.153   2.281  -7.764
   17    HG2  GLU   3           HG2      GLU   3  11.243   3.804  -5.932
   18    HG3  GLU   3           HG3      GLU   3  11.318   2.134  -5.361
   19    H    LYS   4           H        LYS   4  13.841   0.814  -5.232
   20    HA   LYS   4           HA       LYS   4  12.690  -1.925  -4.820
   21    HB2  LYS   4           HB2      LYS   4  14.982  -2.457  -3.892
   22    HB3  LYS   4           HB3      LYS   4  14.925  -2.113  -5.625
   23    HG2  LYS   4           HG2      LYS   4  15.799   0.167  -5.261
   24    HG3  LYS   4           HG3      LYS   4  15.746  -0.067  -3.523
   25    HD2  LYS   4           HD2      LYS   4  17.316  -2.214  -4.483
   26    HD3  LYS   4           HD3      LYS   4  17.800  -0.830  -5.471
   27    HE2  LYS   4           HE2      LYS   4  17.703  -0.956  -2.423
   28    HE3  LYS   4           HE3      LYS   4  19.169  -1.065  -3.402
   29    HZ1  LYS   4           HZ1      LYS   4  17.409   1.337  -3.299
   30    HZ2  LYS   4           HZ2      LYS   4  18.823   1.119  -2.472
   31    HZ3  LYS   4           HZ3      LYS   4  18.842   1.214  -4.102
   32    H    VAL   5           H        VAL   5  10.958  -1.104  -3.428
   33    HA   VAL   5           HA       VAL   5  11.843   0.681  -1.286
   34    HB   VAL   5           HB       VAL   5   9.093  -0.265  -2.116
   35   HG11  VAL   5          HG11      VAL   5   9.885   1.811  -0.010
   36   HG12  VAL   5          HG12      VAL   5   8.247   1.564  -0.655
   37   HG13  VAL   5          HG13      VAL   5   9.018   0.290   0.295
   38   HG21  VAL   5          HG21      VAL   5  10.321   1.205  -3.691
   39   HG22  VAL   5          HG22      VAL   5   8.944   2.053  -2.979
   40   HG23  VAL   5          HG23      VAL   5  10.591   2.390  -2.403
   41    H    GLY   6           H        GLY   6  12.765  -0.123   0.358
   42    HA2  GLY   6           HA2      GLY   6  12.190  -2.457   1.931
   43    HA3  GLY   6           HA3      GLY   6  13.008  -0.978   2.485
   44    H    MET   7           H        MET   7  10.147  -2.782   2.359
   45    HA   MET   7           HA       MET   7   8.346  -0.827   3.578
   46    HB2  MET   7           HB2      MET   7   8.102  -3.846   3.410
   47    HB3  MET   7           HB3      MET   7   6.789  -2.701   3.727
   48    HG2  MET   7           HG2      MET   7   8.394  -2.740   1.143
   49    HG3  MET   7           HG3      MET   7   6.953  -3.729   1.393
   50    HE1  MET   7           HE1      MET   7   5.192  -1.203   3.027
   51    HE2  MET   7           HE2      MET   7   4.188  -0.948   1.596
   52    HE3  MET   7           HE3      MET   7   4.643  -2.600   2.073
   53    H    ASN   8           H        ASN   8   8.214  -0.323   5.699
   54    HA   ASN   8           HA       ASN   8   9.425  -2.154   7.716
   55    HB2  ASN   8           HB2      ASN   8   9.059   0.848   7.700
   56    HB3  ASN   8           HB3      ASN   8   9.205  -0.054   9.215
   57   HD21  ASN   8          HD21      ASN   8  11.223   0.380   9.999
   58   HD22  ASN   8          HD22      ASN   8  12.674   0.063   9.056
   59    H    LEU   9           H        LEU   9   8.422  -2.671   9.572
   60    HA   LEU   9           HA       LEU   9   5.535  -3.024   9.587
   61    HB2  LEU   9           HB2      LEU   9   7.716  -3.573  11.652
   62    HB3  LEU   9           HB3      LEU   9   6.063  -4.173  11.757
   63    HG   LEU   9           HG       LEU   9   7.965  -4.884   9.490
   64   HD11  LEU   9          HD11      LEU   9   7.358  -6.384  12.067
   65   HD12  LEU   9          HD12      LEU   9   8.246  -7.050  10.681
   66   HD13  LEU   9          HD13      LEU   9   8.917  -5.676  11.570
   67   HD21  LEU   9          HD21      LEU   9   5.613  -5.190   8.879
   68   HD22  LEU   9          HD22      LEU   9   6.369  -6.767   9.130
   69   HD23  LEU   9          HD23      LEU   9   5.311  -6.087  10.385
   70    H    VAL  10           H        VAL  10   5.347  -0.557   9.396
   71    HA   VAL  10           HA       VAL  10   5.363   0.922  11.932
   72    HB   VAL  10           HB       VAL  10   4.558   2.765  10.822
   73   HG11  VAL  10          HG11      VAL  10   5.756   1.308   8.435
   74   HG12  VAL  10          HG12      VAL  10   5.838   3.033   8.819
   75   HG13  VAL  10          HG13      VAL  10   6.739   1.858   9.790
   76   HG21  VAL  10          HG21      VAL  10   2.422   1.984   9.966
   77   HG22  VAL  10          HG22      VAL  10   3.296   2.754   8.653
   78   HG23  VAL  10          HG23      VAL  10   3.236   0.974   8.742
   79    H    THR  11           H        THR  11   3.900   1.415  13.325
   80    HA   THR  11           HA       THR  11   1.107   0.726  12.836
   81    HB   THR  11           HB       THR  11   1.976  -1.406  13.599
   82    HG1  THR  11           HG1      THR  11   0.366  -1.597  15.244
   83   HG21  THR  11          HG21      THR  11   2.551  -0.014  16.259
   84   HG22  THR  11          HG22      THR  11   2.656  -1.749  15.920
   85   HG23  THR  11          HG23      THR  11   3.780  -0.635  15.136
   86    H    ALA  12           H        ALA  12   0.484   1.010  15.579
   87    HA   ALA  12           HA       ALA  12   0.195   3.942  15.622
   88    HB1  ALA  12           HB1      ALA  12  -0.713   1.817  17.619
   89    HB2  ALA  12           HB2      ALA  12  -1.223   3.509  17.602
   90    HB3  ALA  12           HB3      ALA  12  -1.672   2.444  16.254
   91    H    GLN  13           H        GLN  13   2.685   1.980  16.588
   92    HA   GLN  13           HA       GLN  13   3.657   3.784  18.768
   93    HB2  GLN  13           HB2      GLN  13   4.780   1.202  17.736
   94    HB3  GLN  13           HB3      GLN  13   5.307   2.027  19.193
   95    HG2  GLN  13           HG2      GLN  13   2.777   0.408  18.647
   96    HG3  GLN  13           HG3      GLN  13   4.152  -0.061  19.668
   97   HE21  GLN  13          HE21      GLN  13   1.864   2.705  19.345
   98   HE22  GLN  13          HE22      GLN  13   2.176   3.119  21.002
   99    H    GLY  14           H        GLY  14   3.576   3.923  15.533
  100    HA2  GLY  14           HA2      GLY  14   4.798   5.468  14.232
  101    HA3  GLY  14           HA3      GLY  14   6.198   5.289  15.332
  102    H    VAL  15           H        VAL  15   7.258   5.174  13.230
  103    HA   VAL  15           HA       VAL  15   7.164   2.840  11.585
  104    HB   VAL  15           HB       VAL  15   9.456   4.790  12.058
  105   HG11  VAL  15          HG11      VAL  15   9.092   2.714   9.839
  106   HG12  VAL  15          HG12      VAL  15  10.326   3.992   9.850
  107   HG13  VAL  15          HG13      VAL  15  10.373   2.725  11.072
  108   HG21  VAL  15          HG21      VAL  15   7.354   4.649   9.868
  109   HG22  VAL  15          HG22      VAL  15   7.475   5.900  11.127
  110   HG23  VAL  15          HG23      VAL  15   8.733   5.768   9.890
  111    H    GLY  16           H        GLY  16   7.829   0.834  11.945
  112    HA2  GLY  16           HA2      GLY  16   9.542   0.140  14.266
  113    HA3  GLY  16           HA3      GLY  16   8.459  -0.916  13.314
  114    H    GLN  17           H        GLN  17   9.689  -2.477  12.726
  115    HA   GLN  17           HA       GLN  17  12.444  -2.102  11.838
  116    HB2  GLN  17           HB2      GLN  17  11.205  -4.030  13.381
  117    HB3  GLN  17           HB3      GLN  17  11.133  -4.805  11.795
  118    HG2  GLN  17           HG2      GLN  17  13.680  -4.169  11.632
  119    HG3  GLN  17           HG3      GLN  17  13.495  -3.841  13.376
  120   HE21  GLN  17          HE21      GLN  17  13.217  -6.392  10.825
  121   HE22  GLN  17          HE22      GLN  17  13.429  -7.722  11.986
  122    H    SER  18           H        SER  18  13.286  -2.906   9.867
  123    HA   SER  18           HA       SER  18  11.467  -3.281   7.561
  124    HB2  SER  18           HB2      SER  18  13.393  -2.010   7.021
  125    HB3  SER  18           HB3      SER  18  14.467  -3.104   7.913
  126    HG   SER  18           HG       SER  18  14.674  -3.595   5.741
  127    H    ILE  19           H        ILE  19  11.195  -5.216   6.581
  128    HA   ILE  19           HA       ILE  19  12.441  -7.719   7.607
  129    HB   ILE  19           HB       ILE  19  10.223  -8.836   7.438
  130   HG12  ILE  19          HG12      ILE  19   8.465  -7.602   8.200
  131   HG13  ILE  19          HG13      ILE  19   9.296  -6.037   8.187
  132   HG21  ILE  19          HG21      ILE  19  10.850  -7.062   9.820
  133   HG22  ILE  19          HG22      ILE  19   9.911  -8.566   9.810
  134   HG23  ILE  19          HG23      ILE  19  11.640  -8.616   9.463
  135   HD11  ILE  19          HD11      ILE  19   8.588  -7.710   5.735
  136   HD12  ILE  19          HD12      ILE  19   7.659  -6.310   6.317
  137   HD13  ILE  19          HD13      ILE  19   9.312  -6.077   5.737
  138    H    GLY  20           H        GLY  20  11.898  -5.863   5.022
  139    HA2  GLY  20           HA2      GLY  20  13.138  -7.380   3.116
  140    HA3  GLY  20           HA3      GLY  20  11.453  -7.876   2.945
  141    H    THR  21           H        THR  21  12.846  -6.661   0.867
  142    HA   THR  21           HA       THR  21  11.522  -4.010   0.622
  143    HB   THR  21           HB       THR  21  12.813  -3.761  -1.474
  144    HG1  THR  21           HG1      THR  21  13.197  -6.154  -1.782
  145   HG21  THR  21          HG21      THR  21  14.558  -4.388   0.929
  146   HG22  THR  21          HG22      THR  21  15.079  -3.560  -0.541
  147   HG23  THR  21          HG23      THR  21  13.861  -2.812   0.493
  148    H    VAL  22           H        VAL  22  10.125  -3.671  -1.185
  149    HA   VAL  22           HA       VAL  22   9.400  -6.126  -2.757
  150    HB   VAL  22           HB       VAL  22   7.844  -3.500  -2.763
  151   HG11  VAL  22          HG11      VAL  22   7.491  -6.250  -4.039
  152   HG12  VAL  22          HG12      VAL  22   6.195  -5.105  -3.951
  153   HG13  VAL  22          HG13      VAL  22   7.643  -4.688  -4.874
  154   HG21  VAL  22          HG21      VAL  22   7.510  -4.769  -0.579
  155   HG22  VAL  22          HG22      VAL  22   6.060  -4.547  -1.559
  156   HG23  VAL  22          HG23      VAL  22   6.870  -6.115  -1.560
  157    H    VAL  23           H        VAL  23  10.164  -6.132  -4.834
  158    HA   VAL  23           HA       VAL  23  11.586  -3.690  -5.749
  159    HB   VAL  23           HB       VAL  23  12.699  -5.829  -5.907
  160   HG11  VAL  23          HG11      VAL  23  12.381  -7.346  -7.788
  161   HG12  VAL  23          HG12      VAL  23  11.240  -7.460  -6.465
  162   HG13  VAL  23          HG13      VAL  23  10.765  -6.647  -7.999
  163   HG21  VAL  23          HG21      VAL  23  13.315  -3.838  -7.306
  164   HG22  VAL  23          HG22      VAL  23  13.723  -5.368  -8.097
  165   HG23  VAL  23          HG23      VAL  23  12.280  -4.469  -8.607
  166    H    ILE  24           H        ILE  24  10.840  -2.304  -7.170
  167    HA   ILE  24           HA       ILE  24   8.241  -2.807  -8.562
  168    HB   ILE  24           HB       ILE  24   9.490  -0.214  -7.560
  169   HG12  ILE  24          HG12      ILE  24   6.827  -0.866  -6.510
  170   HG13  ILE  24          HG13      ILE  24   7.949  -2.080  -6.007
  171   HG21  ILE  24          HG21      ILE  24   6.877  -0.787  -8.999
  172   HG22  ILE  24          HG22      ILE  24   7.285   0.774  -8.239
  173   HG23  ILE  24          HG23      ILE  24   8.242   0.184  -9.598
  174   HD11  ILE  24          HD11      ILE  24   8.248   0.932  -5.653
  175   HD12  ILE  24          HD12      ILE  24   7.648  -0.222  -4.433
  176   HD13  ILE  24          HD13      ILE  24   9.343  -0.326  -5.002
  177    H    ASP  25           H        ASP  25   8.434  -2.956 -10.709
  178    HA   ASP  25           HA       ASP  25  10.611  -1.474 -12.083
  179    HB2  ASP  25           HB2      ASP  25  11.341  -3.750 -11.841
  180    HB3  ASP  25           HB3      ASP  25   9.847  -4.352 -12.596
  181    H    GLU  26           H        GLU  26   9.739  -0.066 -13.208
  182    HA   GLU  26           HA       GLU  26   7.068   0.232 -14.098
  183    HB2  GLU  26           HB2      GLU  26   9.277   1.834 -13.786
  184    HB3  GLU  26           HB3      GLU  26   9.283   1.672 -15.546
  185    HG2  GLU  26           HG2      GLU  26   7.030   2.634 -13.786
  186    HG3  GLU  26           HG3      GLU  26   8.091   3.640 -14.783
  187    H    THR  27           H        THR  27   6.008  -0.179 -16.026
  188    HA   THR  27           HA       THR  27   7.461  -0.806 -18.513
  189    HB   THR  27           HB       THR  27   7.743  -2.878 -17.295
  190    HG1  THR  27           HG1      THR  27   6.825  -4.157 -18.914
  191   HG21  THR  27          HG21      THR  27   4.750  -2.858 -17.017
  192   HG22  THR  27          HG22      THR  27   5.645  -4.390 -17.157
  193   HG23  THR  27          HG23      THR  27   6.010  -3.271 -15.846
  194    H    GLU  28           H        GLU  28   6.426  -1.130 -20.135
  195    HA   GLU  28           HA       GLU  28   4.278   0.054 -21.283
  196    HB2  GLU  28           HB2      GLU  28   5.591  -2.680 -21.093
  197    HB3  GLU  28           HB3      GLU  28   4.205  -2.445 -22.077
  198    HG2  GLU  28           HG2      GLU  28   6.763  -0.813 -22.302
  199    HG3  GLU  28           HG3      GLU  28   6.469  -2.284 -23.226
  200    H    GLY  29           H        GLY  29   4.097  -2.568 -18.884
  201    HA2  GLY  29           HA2      GLY  29   1.119  -2.373 -18.784
  202    HA3  GLY  29           HA3      GLY  29   2.073  -3.755 -18.165
  203    H    GLY  30           H        GLY  30   3.273  -0.764 -17.354
  204    HA2  GLY  30           HA2      GLY  30   3.113   0.779 -15.610
  205    HA3  GLY  30           HA3      GLY  30   1.841  -0.173 -14.866
  206    H    LEU  31           H        LEU  31   2.746   0.016 -12.809
  207    HA   LEU  31           HA       LEU  31   5.524  -0.714 -12.309
  208    HB2  LEU  31           HB2      LEU  31   3.224  -0.303 -10.349
  209    HB3  LEU  31           HB3      LEU  31   4.916  -0.428  -9.906
  210    HG   LEU  31           HG       LEU  31   3.670   1.792 -11.599
  211   HD11  LEU  31          HD11      LEU  31   4.656   1.799  -8.711
  212   HD12  LEU  31          HD12      LEU  31   4.043   3.204  -9.609
  213   HD13  LEU  31          HD13      LEU  31   2.959   1.852  -9.235
  214   HD21  LEU  31          HD21      LEU  31   6.058   1.415 -12.170
  215   HD22  LEU  31          HD22      LEU  31   5.809   2.963 -11.350
  216   HD23  LEU  31          HD23      LEU  31   6.483   1.587 -10.455
  217    H    LYS  32           H        LYS  32   6.086  -2.816 -12.778
  218    HA   LYS  32           HA       LYS  32   4.522  -5.082 -11.806
  219    HB2  LYS  32           HB2      LYS  32   6.141  -4.965 -13.862
  220    HB3  LYS  32           HB3      LYS  32   7.423  -5.191 -12.673
  221    HG2  LYS  32           HG2      LYS  32   5.878  -7.234 -11.870
  222    HG3  LYS  32           HG3      LYS  32   5.147  -7.027 -13.462
  223    HD2  LYS  32           HD2      LYS  32   6.757  -8.674 -13.833
  224    HD3  LYS  32           HD3      LYS  32   7.573  -7.202 -14.399
  225    HE2  LYS  32           HE2      LYS  32   8.669  -6.997 -12.158
  226    HE3  LYS  32           HE3      LYS  32   7.854  -8.491 -11.633
  227    HZ1  LYS  32           HZ1      LYS  32   9.923  -8.174 -13.724
  228    HZ2  LYS  32           HZ2      LYS  32  10.057  -9.032 -12.343
  229    HZ3  LYS  32           HZ3      LYS  32   9.100  -9.560 -13.584
  230    H    PHE  33           H        PHE  33   4.444  -5.616  -9.738
  231    HA   PHE  33           HA       PHE  33   6.460  -4.733  -7.768
  232    HB2  PHE  33           HB2      PHE  33   3.868  -4.198  -7.962
  233    HB3  PHE  33           HB3      PHE  33   3.653  -5.826  -7.315
  234    HD1  PHE  33           HD1      PHE  33   5.672  -2.764  -6.687
  235    HD2  PHE  33           HD2      PHE  33   3.129  -5.787  -5.014
  236    HE1  PHE  33           HE1      PHE  33   5.747  -1.601  -4.469
  237    HE2  PHE  33           HE2      PHE  33   3.172  -4.600  -2.820
  238    HZ   PHE  33           HZ       PHE  33   4.542  -2.559  -2.527
  239    H    THR  34           H        THR  34   8.035  -6.405  -7.291
  240    HA   THR  34           HA       THR  34   6.935  -9.189  -7.072
  241    HB   THR  34           HB       THR  34   9.818  -8.522  -7.590
  242    HG1  THR  34           HG1      THR  34   8.775  -7.898  -9.398
  243   HG21  THR  34          HG21      THR  34   8.176 -11.076  -7.809
  244   HG22  THR  34          HG22      THR  34   9.884 -10.891  -8.262
  245   HG23  THR  34          HG23      THR  34   9.397 -10.717  -6.568
  246    HA   PRO  35           HA       PRO  35   8.145  -8.128  -2.820
  247    HB2  PRO  35           HB2      PRO  35   6.402  -9.670  -1.475
  248    HB3  PRO  35           HB3      PRO  35   5.835  -8.244  -2.400
  249    HG2  PRO  35           HG2      PRO  35   5.821 -11.159  -3.252
  250    HG3  PRO  35           HG3      PRO  35   4.486  -9.964  -3.366
  251    HD2  PRO  35           HD2      PRO  35   6.194 -10.552  -5.453
  252    HD3  PRO  35           HD3      PRO  35   5.424  -8.947  -5.235
  253    H    HIS  36           H        HIS  36   9.428  -9.131  -1.268
  254    HA   HIS  36           HA       HIS  36   9.838 -12.033  -1.284
  255    HB2  HIS  36           HB2      HIS  36  12.270 -11.854  -1.643
  256    HB3  HIS  36           HB3      HIS  36  11.290 -11.426  -3.043
  257    HD1  HIS  36           HD1      HIS  36  14.380 -10.524  -2.042
  258    HD2  HIS  36           HD2      HIS  36  10.919  -8.354  -2.914
  259    HE1  HIS  36           HE1      HIS  36  15.169  -8.124  -2.539
  260    H    LEU  37           H        LEU  37   8.505 -10.683   0.528
  261    HA   LEU  37           HA       LEU  37  10.252 -10.046   2.887
  262    HB2  LEU  37           HB2      LEU  37   7.310  -9.361   2.559
  263    HB3  LEU  37           HB3      LEU  37   8.478  -8.797   3.767
  264    HG   LEU  37           HG       LEU  37   9.710  -7.871   1.536
  265   HD11  LEU  37          HD11      LEU  37   6.743  -7.577   0.886
  266   HD12  LEU  37          HD12      LEU  37   8.151  -7.037  -0.059
  267   HD13  LEU  37          HD13      LEU  37   7.800  -8.756   0.095
  268   HD21  LEU  37          HD21      LEU  37   9.153  -6.546   3.498
  269   HD22  LEU  37          HD22      LEU  37   8.636  -5.691   2.033
  270   HD23  LEU  37          HD23      LEU  37   7.434  -6.525   3.058
  271    H    LYS  38           H        LYS  38  10.020 -10.798   4.771
  272    HA   LYS  38           HA       LYS  38   8.186 -13.105   5.194
  273    HB2  LYS  38           HB2      LYS  38   9.769 -13.767   6.994
  274    HB3  LYS  38           HB3      LYS  38  10.415 -13.921   5.378
  275    HG2  LYS  38           HG2      LYS  38  11.065 -11.318   6.695
  276    HG3  LYS  38           HG3      LYS  38  11.675 -12.753   7.536
  277    HD2  LYS  38           HD2      LYS  38  13.362 -11.871   6.048
  278    HD3  LYS  38           HD3      LYS  38  12.888 -13.497   5.549
  279    HE2  LYS  38           HE2      LYS  38  11.493 -12.562   3.738
  280    HE3  LYS  38           HE3      LYS  38  11.865 -10.918   4.292
  281    HZ1  LYS  38           HZ1      LYS  38  13.846 -12.822   3.199
  282    HZ2  LYS  38           HZ2      LYS  38  13.223 -11.508   2.421
  283    HZ3  LYS  38           HZ3      LYS  38  14.186 -11.336   3.771
  284    H    ALA  39           H        ALA  39   7.231 -13.216   7.119
  285    HA   ALA  39           HA       ALA  39   6.765 -12.847   9.338
  286    HB1  ALA  39           HB1      ALA  39   7.806  -9.990   9.131
  287    HB2  ALA  39           HB2      ALA  39   7.543 -10.948  10.593
  288    HB3  ALA  39           HB3      ALA  39   8.847 -11.395   9.477
  289    H    LEU  40           H        LEU  40   4.959 -12.232   7.029
  290    HA   LEU  40           HA       LEU  40   3.118 -10.284   8.340
  291    HB2  LEU  40           HB2      LEU  40   2.349 -11.223   5.621
  292    HB3  LEU  40           HB3      LEU  40   2.166  -9.703   6.422
  293    HG   LEU  40           HG       LEU  40   4.833  -9.525   6.011
  294   HD11  LEU  40          HD11      LEU  40   3.958 -11.535   3.882
  295   HD12  LEU  40          HD12      LEU  40   5.493 -10.641   3.892
  296   HD13  LEU  40          HD13      LEU  40   5.151 -11.823   5.155
  297   HD21  LEU  40          HD21      LEU  40   3.142  -8.024   5.022
  298   HD22  LEU  40          HD22      LEU  40   4.374  -8.460   3.828
  299   HD23  LEU  40          HD23      LEU  40   2.776  -9.238   3.774
  300    HA   PRO  41           HA       PRO  41   0.298 -13.508   9.261
  301    HB2  PRO  41           HB2      PRO  41  -2.206 -12.322   8.860
  302    HB3  PRO  41           HB3      PRO  41  -1.181 -12.077  10.300
  303    HG2  PRO  41           HG2      PRO  41  -1.347 -10.386   7.835
  304    HG3  PRO  41           HG3      PRO  41  -1.431  -9.852   9.547
  305    HD2  PRO  41           HD2      PRO  41   0.910  -9.673   8.269
  306    HD3  PRO  41           HD3      PRO  41   0.814 -10.406   9.911
  307    HA   PRO  42           HA       PRO  42   0.461 -15.164   5.440
  308    HB2  PRO  42           HB2      PRO  42  -0.170 -17.718   5.806
  309    HB3  PRO  42           HB3      PRO  42   0.998 -16.873   6.865
  310    HG2  PRO  42           HG2      PRO  42  -1.962 -17.276   7.345
  311    HG3  PRO  42           HG3      PRO  42  -0.619 -17.846   8.383
  312    HD2  PRO  42           HD2      PRO  42  -1.775 -15.401   8.840
  313    HD3  PRO  42           HD3      PRO  42   0.002 -15.612   8.976
  314    H    GLY  43           H        GLY  43  -1.982 -13.739   5.414
  315    HA2  GLY  43           HA2      GLY  43  -3.993 -15.419   3.973
  316    HA3  GLY  43           HA3      GLY  43  -4.283 -13.814   4.686
  317    H    GLU  44           H        GLU  44  -5.149 -12.851   2.965
  318    HA   GLU  44           HA       GLU  44  -3.206 -12.099   0.855
  319    HB2  GLU  44           HB2      GLU  44  -4.910 -11.796  -0.779
  320    HB3  GLU  44           HB3      GLU  44  -4.993 -13.465  -0.198
  321    HG2  GLU  44           HG2      GLU  44  -6.913 -12.866   1.262
  322    HG3  GLU  44           HG3      GLU  44  -6.775 -11.182   0.696
  323    H    HIS  45           H        HIS  45  -3.321  -9.933   0.144
  324    HA   HIS  45           HA       HIS  45  -4.249  -8.070   2.298
  325    HB2  HIS  45           HB2      HIS  45  -1.478  -8.512   1.081
  326    HB3  HIS  45           HB3      HIS  45  -1.862  -7.134   2.092
  327    HD1  HIS  45           HD1      HIS  45  -3.098  -8.140   4.587
  328    HD2  HIS  45           HD2      HIS  45  -0.818 -10.728   2.217
  329    HE1  HIS  45           HE1      HIS  45  -2.562 -10.163   6.056
  330    HE2  HIS  45           HE2      HIS  45  -1.006 -11.695   4.653
  331    H    GLY  46           H        GLY  46  -5.174  -6.203   1.492
  332    HA2  GLY  46           HA2      GLY  46  -5.131  -5.503  -1.205
  333    HA3  GLY  46           HA3      GLY  46  -5.428  -4.360   0.131
  334    H    PHE  47           H        PHE  47  -4.014  -3.613  -2.218
  335    HA   PHE  47           HA       PHE  47  -1.485  -2.671  -0.941
  336    HB2  PHE  47           HB2      PHE  47  -0.909  -4.501  -2.402
  337    HB3  PHE  47           HB3      PHE  47  -1.973  -3.891  -3.672
  338    HD1  PHE  47           HD1      PHE  47   0.671  -1.750  -1.991
  339    HD2  PHE  47           HD2      PHE  47  -0.356  -4.275  -5.316
  340    HE1  PHE  47           HE1      PHE  47   2.604  -0.827  -3.343
  341    HE2  PHE  47           HE2      PHE  47   1.508  -3.263  -6.660
  342    HZ   PHE  47           HZ       PHE  47   2.874  -1.469  -5.704
  343    H    HIS  48           H        HIS  48  -1.400  -0.477  -1.015
  344    HA   HIS  48           HA       HIS  48  -2.785   0.981  -3.194
  345    HB2  HIS  48           HB2      HIS  48  -2.979   2.202  -0.471
  346    HB3  HIS  48           HB3      HIS  48  -3.821   2.651  -1.941
  347    HD2  HIS  48           HD2      HIS  48  -5.526   0.020  -2.586
  348    HE1  HIS  48           HE1      HIS  48  -6.734   0.075   1.477
  349    HE2  HIS  48           HE2      HIS  48  -7.205  -0.896  -0.842
  350    H    ILE  49           H        ILE  49  -1.992   3.071  -3.619
  351    HA   ILE  49           HA       ILE  49   0.607   3.963  -2.403
  352    HB   ILE  49           HB       ILE  49  -0.731   4.555  -5.074
  353   HG12  ILE  49          HG12      ILE  49   2.147   3.667  -4.780
  354   HG13  ILE  49          HG13      ILE  49   0.881   2.449  -4.564
  355   HG21  ILE  49          HG21      ILE  49   1.766   5.881  -3.904
  356   HG22  ILE  49          HG22      ILE  49   1.214   6.037  -5.581
  357   HG23  ILE  49          HG23      ILE  49   0.220   6.678  -4.283
  358   HD11  ILE  49          HD11      ILE  49   1.178   4.195  -7.044
  359   HD12  ILE  49          HD12      ILE  49   1.671   2.498  -6.888
  360   HD13  ILE  49          HD13      ILE  49  -0.045   2.937  -6.784
  361    H    HIS  50           H        HIS  50   0.695   6.042  -1.590
  362    HA   HIS  50           HA       HIS  50  -1.913   7.376  -1.040
  363    HB2  HIS  50           HB2      HIS  50   0.271   6.540   0.878
  364    HB3  HIS  50           HB3      HIS  50  -0.796   7.889   1.228
  365    HD1  HIS  50           HD1      HIS  50  -2.264   7.070   3.049
  366    HD2  HIS  50           HD2      HIS  50  -1.845   4.302  -0.053
  367    HE1  HIS  50           HE1      HIS  50  -3.732   5.053   3.705
  368    H    ALA  51           H        ALA  51  -1.698   9.644  -0.451
  369    HA   ALA  51           HA       ALA  51  -0.543  10.777  -2.719
  370    HB1  ALA  51           HB1      ALA  51  -1.645  12.203  -0.255
  371    HB2  ALA  51           HB2      ALA  51  -1.507  12.888  -1.885
  372    HB3  ALA  51           HB3      ALA  51  -2.622  11.544  -1.590
  373    H    ASN  52           H        ASN  52   0.854  10.878   0.506
  374    HA   ASN  52           HA       ASN  52   3.230  12.361  -0.581
  375    HB2  ASN  52           HB2      ASN  52   2.202  12.315   2.276
  376    HB3  ASN  52           HB3      ASN  52   3.595  13.218   1.691
  377   HD21  ASN  52          HD21      ASN  52   0.395  13.526   2.552
  378   HD22  ASN  52          HD22      ASN  52   0.054  15.009   1.677
  379    H    GLY  53           H        GLY  53   5.196  11.831   1.064
  380    HA2  GLY  53           HA2      GLY  53   5.321   8.865   1.567
  381    HA3  GLY  53           HA3      GLY  53   6.589   9.763   0.732
  382    H    SER  54           H        SER  54   5.161   9.037   3.801
  383    HA   SER  54           HA       SER  54   7.496   9.086   5.325
  384    HB2  SER  54           HB2      SER  54   7.517  11.570   5.060
  385    HB3  SER  54           HB3      SER  54   5.886  11.638   5.734
  386    HG   SER  54           HG       SER  54   7.220  12.024   7.388
  387    H    CYS  55           H        CYS  55   6.599   7.213   6.315
  388    HA   CYS  55           HA       CYS  55   3.945   6.903   6.959
  389    HB2  CYS  55           HB2      CYS  55   6.296   5.394   8.105
  390    HB3  CYS  55           HB3      CYS  55   4.665   4.790   7.856
  391    H    GLN  56           H        GLN  56   4.705   9.288   8.422
  392    HA   GLN  56           HA       GLN  56   4.821   8.566  11.297
  393    HB2  GLN  56           HB2      GLN  56   4.992  11.181   9.784
  394    HB3  GLN  56           HB3      GLN  56   4.728  11.158  11.517
  395    HG2  GLN  56           HG2      GLN  56   7.088   9.770  10.169
  396    HG3  GLN  56           HG3      GLN  56   7.128  11.429  10.760
  397   HE21  GLN  56          HE21      GLN  56   9.026   9.943  11.916
  398   HE22  GLN  56          HE22      GLN  56   8.537   9.485  13.537
  399    HA   PRO  57           HA       PRO  57   0.309   9.153  11.463
  400    HB2  PRO  57           HB2      PRO  57  -0.158   8.194  13.956
  401    HB3  PRO  57           HB3      PRO  57   0.265   7.110  12.600
  402    HG2  PRO  57           HG2      PRO  57   2.096   8.194  14.755
  403    HG3  PRO  57           HG3      PRO  57   1.961   6.511  14.154
  404    HD2  PRO  57           HD2      PRO  57   3.864   8.298  13.268
  405    HD3  PRO  57           HD3      PRO  57   3.199   6.998  12.232
  406    H    ALA  58           H        ALA  58  -0.946  10.857  12.236
  407    HA   ALA  58           HA       ALA  58   0.210  12.828  14.097
  408    HB1  ALA  58           HB1      ALA  58  -2.531  12.650  12.748
  409    HB2  ALA  58           HB2      ALA  58  -1.905  14.036  13.661
  410    HB3  ALA  58           HB3      ALA  58  -1.139  13.563  12.136
  411    H    ILE  59           H        ILE  59  -0.826  13.340  16.160
  412    HA   ILE  59           HA       ILE  59  -2.135  10.945  17.430
  413    HB   ILE  59           HB       ILE  59  -0.666  13.230  18.785
  414   HG12  ILE  59          HG12      ILE  59   0.991  11.979  17.539
  415   HG13  ILE  59          HG13      ILE  59   1.142  11.632  19.247
  416   HG21  ILE  59          HG21      ILE  59  -1.844  10.618  19.824
  417   HG22  ILE  59          HG22      ILE  59  -0.713  11.628  20.743
  418   HG23  ILE  59          HG23      ILE  59  -2.289  12.273  20.283
  419   HD11  ILE  59          HD11      ILE  59  -0.105   9.801  17.150
  420   HD12  ILE  59          HD12      ILE  59   1.460   9.601  17.943
  421   HD13  ILE  59          HD13      ILE  59  -0.025   9.439  18.894
  422    H    LYS  60           H        LYS  60  -4.074  10.998  18.175
  423    HA   LYS  60           HA       LYS  60  -5.480  13.497  18.944
  424    HB2  LYS  60           HB2      LYS  60  -6.364  11.388  16.936
  425    HB3  LYS  60           HB3      LYS  60  -7.562  11.992  18.060
  426    HG2  LYS  60           HG2      LYS  60  -7.876  13.367  16.245
  427    HG3  LYS  60           HG3      LYS  60  -6.945  14.345  17.359
  428    HD2  LYS  60           HD2      LYS  60  -4.926  13.216  15.800
  429    HD3  LYS  60           HD3      LYS  60  -6.252  13.226  14.664
  430    HE2  LYS  60           HE2      LYS  60  -4.935  15.263  14.431
  431    HE3  LYS  60           HE3      LYS  60  -6.555  15.671  15.004
  432    HZ1  LYS  60           HZ1      LYS  60  -4.220  15.384  16.818
  433    HZ2  LYS  60           HZ2      LYS  60  -4.750  16.830  16.192
  434    HZ3  LYS  60           HZ3      LYS  60  -5.693  15.988  17.207
  435    H    ASP  61           H        ASP  61  -7.458  12.852  20.318
  436    HA   ASP  61           HA       ASP  61  -6.821  11.487  22.647
  437    HB2  ASP  61           HB2      ASP  61  -9.469  12.073  21.293
  438    HB3  ASP  61           HB3      ASP  61  -9.407  11.157  22.799
  439    H    GLY  62           H        GLY  62  -6.200   9.504  23.000
  440    HA2  GLY  62           HA2      GLY  62  -6.184   7.207  23.134
  441    HA3  GLY  62           HA3      GLY  62  -7.802   7.213  22.404
  442    H    GLN  63           H        GLN  63  -5.585   8.715  20.213
  443    HA   GLN  63           HA       GLN  63  -5.085   6.138  18.845
  444    HB2  GLN  63           HB2      GLN  63  -6.504   6.619  16.958
  445    HB3  GLN  63           HB3      GLN  63  -7.439   6.604  18.447
  446    HG2  GLN  63           HG2      GLN  63  -7.094   9.236  18.371
  447    HG3  GLN  63           HG3      GLN  63  -6.728   8.946  16.673
  448   HE21  GLN  63          HE21      GLN  63  -9.246   8.951  19.149
  449   HE22  GLN  63          HE22      GLN  63 -10.588   8.719  18.034
  450    H    ALA  64           H        ALA  64  -3.336   6.095  17.665
  451    HA   ALA  64           HA       ALA  64  -2.124   8.597  16.613
  452    HB1  ALA  64           HB1      ALA  64  -1.058   5.740  16.725
  453    HB2  ALA  64           HB2      ALA  64  -0.172   7.168  16.157
  454    HB3  ALA  64           HB3      ALA  64  -0.643   7.040  17.858
  455    H    VAL  65           H        VAL  65  -2.728   9.161  14.641
  456    HA   VAL  65           HA       VAL  65  -4.532   7.512  13.112
  457    HB   VAL  65           HB       VAL  65  -3.476  10.285  12.434
  458   HG11  VAL  65          HG11      VAL  65  -6.021   8.815  11.560
  459   HG12  VAL  65          HG12      VAL  65  -5.609  10.496  11.158
  460   HG13  VAL  65          HG13      VAL  65  -4.639   9.176  10.509
  461   HG21  VAL  65          HG21      VAL  65  -4.532  10.336  14.665
  462   HG22  VAL  65          HG22      VAL  65  -5.585  11.110  13.482
  463   HG23  VAL  65          HG23      VAL  65  -5.943   9.461  14.037
  464    H    ALA  66           H        ALA  66  -2.920   5.860  12.768
  465    HA   ALA  66           HA       ALA  66  -2.030   4.435  11.303
  466    HB1  ALA  66           HB1      ALA  66  -3.173   6.325   9.236
  467    HB2  ALA  66           HB2      ALA  66  -2.629   4.652   8.959
  468    HB3  ALA  66           HB3      ALA  66  -3.999   4.977  10.048
  469    H    ALA  67           H        ALA  67  -1.328   7.364   9.551
  470    HA   ALA  67           HA       ALA  67   1.495   7.478   9.456
  471    HB1  ALA  67           HB1      ALA  67   0.199   5.777   7.274
  472    HB2  ALA  67           HB2      ALA  67   1.827   6.453   7.174
  473    HB3  ALA  67           HB3      ALA  67   1.465   5.266   8.423
  474    H    GLU  68           H        GLU  68  -0.673   9.320   9.691
  475    HA   GLU  68           HA       GLU  68  -1.786  10.202   7.286
  476    HB2  GLU  68           HB2      GLU  68  -2.706  10.672   9.512
  477    HB3  GLU  68           HB3      GLU  68  -1.391  11.813   9.842
  478    HG2  GLU  68           HG2      GLU  68  -2.159  13.311   8.104
  479    HG3  GLU  68           HG3      GLU  68  -3.249  12.084   7.444
  480    H    ALA  69           H        ALA  69   1.445  11.086   8.500
  481    HA   ALA  69           HA       ALA  69   1.732  13.377   6.748
  482    HB1  ALA  69           HB1      ALA  69   3.806  11.538   7.981
  483    HB2  ALA  69           HB2      ALA  69   4.129  13.133   7.271
  484    HB3  ALA  69           HB3      ALA  69   3.140  13.000   8.744
  485    H    ALA  70           H        ALA  70   1.597  10.013   6.019
  486    HA   ALA  70           HA       ALA  70   2.803  10.351   3.341
  487    HB1  ALA  70           HB1      ALA  70   1.446   7.938   4.607
  488    HB2  ALA  70           HB2      ALA  70   2.386   7.978   3.109
  489    HB3  ALA  70           HB3      ALA  70   3.189   8.257   4.666
  490    H    GLY  71           H        GLY  71  -0.187  11.113   4.747
  491    HA2  GLY  71           HA2      GLY  71  -2.036  12.004   3.671
  492    HA3  GLY  71           HA3      GLY  71  -1.414  11.455   2.112
  493    H    GLY  72           H        GLY  72  -3.935  11.241   2.222
  494    HA2  GLY  72           HA2      GLY  72  -4.874   8.539   2.953
  495    HA3  GLY  72           HA3      GLY  72  -5.742   9.759   1.993
  496    H    HIS  73           H        HIS  73  -6.080   7.476   0.891
  497    HA   HIS  73           HA       HIS  73  -4.110   6.338  -0.862
  498    HB2  HIS  73           HB2      HIS  73  -7.089   6.716  -1.285
  499    HB3  HIS  73           HB3      HIS  73  -6.058   5.674  -2.259
  500    HD2  HIS  73           HD2      HIS  73  -5.496   5.274   1.478
  501    HE1  HIS  73           HE1      HIS  73  -8.242   2.205   0.463
  502    HE2  HIS  73           HE2      HIS  73  -6.686   3.129   2.270
  503    H    LEU  74           H        LEU  74  -3.353   7.019  -2.906
  504    HA   LEU  74           HA       LEU  74  -3.485   9.773  -3.534
  505    HB2  LEU  74           HB2      LEU  74  -1.629   8.351  -4.189
  506    HB3  LEU  74           HB3      LEU  74  -2.678   7.380  -5.221
  507    HG   LEU  74           HG       LEU  74  -3.037   9.296  -6.733
  508   HD11  LEU  74          HD11      LEU  74  -1.132  10.774  -4.871
  509   HD12  LEU  74          HD12      LEU  74  -1.578  11.322  -6.502
  510   HD13  LEU  74          HD13      LEU  74  -2.810  11.207  -5.244
  511   HD21  LEU  74          HD21      LEU  74  -1.229   7.712  -7.179
  512   HD22  LEU  74          HD22      LEU  74  -0.733   9.342  -7.662
  513   HD23  LEU  74          HD23      LEU  74  -0.120   8.633  -6.151
  514    H    ASP  75           H        ASP  75  -5.064  10.930  -4.168
  515    HA   ASP  75           HA       ASP  75  -7.002  10.133  -6.289
  516    HB2  ASP  75           HB2      ASP  75  -8.157   9.479  -4.388
  517    HB3  ASP  75           HB3      ASP  75  -7.513  10.777  -3.384
  518    HA   PRO  76           HA       PRO  76  -5.578  14.448  -6.889
  519    HB2  PRO  76           HB2      PRO  76  -6.125  14.702  -9.570
  520    HB3  PRO  76           HB3      PRO  76  -4.660  13.901  -8.924
  521    HG2  PRO  76           HG2      PRO  76  -7.236  12.600  -9.857
  522    HG3  PRO  76           HG3      PRO  76  -5.551  12.146 -10.250
  523    HD2  PRO  76           HD2      PRO  76  -6.984  10.892  -8.291
  524    HD3  PRO  76           HD3      PRO  76  -5.226  11.167  -8.114
  525    H    GLN  77           H        GLN  77  -8.613  13.100  -8.268
  526    HA   GLN  77           HA       GLN  77 -10.339  15.058  -7.047
  527    HB2  GLN  77           HB2      GLN  77  -9.897  15.226 -10.076
  528    HB3  GLN  77           HB3      GLN  77 -11.235  15.974  -9.215
  529    HG2  GLN  77           HG2      GLN  77  -9.504  17.285  -7.869
  530    HG3  GLN  77           HG3      GLN  77  -8.335  16.777  -9.109
  531   HE21  GLN  77          HE21      GLN  77  -8.370  17.873 -11.136
  532   HE22  GLN  77          HE22      GLN  77  -9.483  19.187 -11.443
  533    H    ASN  78           H        ASN  78 -10.065  11.958  -7.560
  534    HA   ASN  78           HA       ASN  78 -11.937  11.155  -9.579
  535    HB2  ASN  78           HB2      ASN  78 -10.865   9.739  -7.097
  536    HB3  ASN  78           HB3      ASN  78 -11.876   8.962  -8.306
  537   HD21  ASN  78          HD21      ASN  78 -10.973   9.258 -10.699
  538   HD22  ASN  78          HD22      ASN  78  -9.286   8.819 -10.805
  539    H    THR  79           H        THR  79 -12.294  11.796  -6.184
  540    HA   THR  79           HA       THR  79 -14.531  12.835  -5.554
  541    HB   THR  79           HB       THR  79 -15.960  11.455  -6.992
  542    HG1  THR  79           HG1      THR  79 -17.529  11.326  -5.426
  543   HG21  THR  79          HG21      THR  79 -15.524   9.229  -4.933
  544   HG22  THR  79          HG22      THR  79 -16.641   9.215  -6.312
  545   HG23  THR  79          HG23      THR  79 -14.902   9.194  -6.597
  546    H    GLY  80           H        GLY  80 -12.606  10.007  -4.845
  547    HA2  GLY  80           HA2      GLY  80 -11.219   9.966  -3.027
  548    HA3  GLY  80           HA3      GLY  80 -12.207  11.193  -2.236
  549    H    LYS  81           H        LYS  81 -14.105   8.490  -3.130
  550    HA   LYS  81           HA       LYS  81 -14.246   7.690  -0.297
  551    HB2  LYS  81           HB2      LYS  81 -15.824   6.814  -2.748
  552    HB3  LYS  81           HB3      LYS  81 -16.113   6.207  -1.116
  553    HG2  LYS  81           HG2      LYS  81 -16.316   9.139  -1.952
  554    HG3  LYS  81           HG3      LYS  81 -17.670   8.027  -1.762
  555    HD2  LYS  81           HD2      LYS  81 -17.142   7.754   0.645
  556    HD3  LYS  81           HD3      LYS  81 -15.791   8.904   0.489
  557    HE2  LYS  81           HE2      LYS  81 -17.293  10.691  -0.177
  558    HE3  LYS  81           HE3      LYS  81 -18.667   9.580  -0.203
  559    HZ1  LYS  81           HZ1      LYS  81 -17.161  10.376   2.244
  560    HZ2  LYS  81           HZ2      LYS  81 -18.712  10.770   1.829
  561    HZ3  LYS  81           HZ3      LYS  81 -18.362   9.242   2.183
  562    H    HIS  82           H        HIS  82 -13.898   5.599  -3.181
  563    HA   HIS  82           HA       HIS  82 -11.416   4.543  -2.797
  564    HB2  HIS  82           HB2      HIS  82 -12.132   3.609  -0.583
  565    HB3  HIS  82           HB3      HIS  82 -13.426   2.743  -1.399
  566    HD2  HIS  82           HD2      HIS  82 -12.794   0.293  -1.482
  567    HE1  HIS  82           HE1      HIS  82  -8.660   0.459  -2.378
  568    HE2  HIS  82           HE2      HIS  82 -10.622  -1.057  -2.026
  569    H    GLU  83           H        GLU  83 -10.912   2.679  -4.201
  570    HA   GLU  83           HA       GLU  83 -13.122   1.569  -5.756
  571    HB2  GLU  83           HB2      GLU  83 -12.074   1.886  -7.880
  572    HB3  GLU  83           HB3      GLU  83 -12.319   3.433  -7.105
  573    HG2  GLU  83           HG2      GLU  83  -9.822   3.242  -6.374
  574    HG3  GLU  83           HG3      GLU  83  -9.697   1.948  -7.571
  575    H    GLY  84           H        GLY  84 -12.859  -0.580  -5.938
  576    HA2  GLY  84           HA2      GLY  84 -10.195  -1.822  -5.272
  577    HA3  GLY  84           HA3      GLY  84 -11.750  -2.539  -4.865
  578    HA   PRO  85           HA       PRO  85 -11.514  -4.350  -9.031
  579    HB2  PRO  85           HB2      PRO  85 -13.913  -5.604  -9.173
  580    HB3  PRO  85           HB3      PRO  85 -12.684  -6.093  -7.975
  581    HG2  PRO  85           HG2      PRO  85 -15.034  -4.213  -7.542
  582    HG3  PRO  85           HG3      PRO  85 -14.584  -5.653  -6.572
  583    HD2  PRO  85           HD2      PRO  85 -13.813  -3.104  -5.901
  584    HD3  PRO  85           HD3      PRO  85 -12.789  -4.530  -5.559
  585    H    GLU  86           H        GLU  86 -12.144  -1.465  -8.799
  586    HA   GLU  86           HA       GLU  86 -13.813  -0.987 -11.152
  587    HB2  GLU  86           HB2      GLU  86 -14.527   0.217  -8.436
  588    HB3  GLU  86           HB3      GLU  86 -15.222   0.694  -9.987
  589    HG2  GLU  86           HG2      GLU  86 -16.116  -1.637 -10.264
  590    HG3  GLU  86           HG3      GLU  86 -15.584  -1.990  -8.613
  591    H    GLY  87           H        GLY  87 -13.851   1.586 -11.388
  592    HA2  GLY  87           HA2      GLY  87 -11.464   2.944 -10.233
  593    HA3  GLY  87           HA3      GLY  87 -11.807   3.110 -11.961
  594    H    GLN  88           H        GLN  88 -12.410   4.536  -8.972
  595    HA   GLN  88           HA       GLN  88 -14.995   5.806  -9.532
  596    HB2  GLN  88           HB2      GLN  88 -14.786   3.122  -8.140
  597    HB3  GLN  88           HB3      GLN  88 -15.951   4.261  -7.520
  598    HG2  GLN  88           HG2      GLN  88 -15.996   3.250 -10.388
  599    HG3  GLN  88           HG3      GLN  88 -16.914   2.615  -9.053
  600   HE21  GLN  88          HE21      GLN  88 -19.007   3.355  -8.908
  601   HE22  GLN  88          HE22      GLN  88 -19.504   4.953  -9.480
  602    H    GLY  89           H        GLY  89 -12.142   5.752  -7.613
  603    HA2  GLY  89           HA2      GLY  89 -13.273   7.760  -5.813
  604    HA3  GLY  89           HA3      GLY  89 -13.040   6.212  -5.042
  605    H    HIS  90           H        HIS  90 -10.442   5.660  -6.494
  606    HA   HIS  90           HA       HIS  90  -8.715   7.866  -6.008
  607    HB2  HIS  90           HB2      HIS  90  -7.684   5.653  -4.296
  608    HB3  HIS  90           HB3      HIS  90  -7.429   7.356  -4.195
  609    HD2  HIS  90           HD2      HIS  90  -9.416   8.781  -2.816
  610    HE1  HIS  90           HE1      HIS  90 -10.247   5.506  -0.266
  611    HE2  HIS  90           HE2      HIS  90 -10.532   8.021  -0.627
  612    H    LEU  91           H        LEU  91  -7.519   7.644  -7.860
  613    HA   LEU  91           HA       LEU  91  -7.062   5.193  -9.161
  614    HB2  LEU  91           HB2      LEU  91  -5.601   6.405 -10.646
  615    HB3  LEU  91           HB3      LEU  91  -7.040   7.327 -10.258
  616    HG   LEU  91           HG       LEU  91  -5.650   8.708  -8.640
  617   HD11  LEU  91          HD11      LEU  91  -3.351   7.224 -10.002
  618   HD12  LEU  91          HD12      LEU  91  -3.168   8.781  -9.167
  619   HD13  LEU  91          HD13      LEU  91  -3.662   7.363  -8.256
  620   HD21  LEU  91          HD21      LEU  91  -6.287   9.496 -10.882
  621   HD22  LEU  91          HD22      LEU  91  -4.645  10.037 -10.489
  622   HD23  LEU  91          HD23      LEU  91  -4.880   8.673 -11.594
  623    H    GLY  92           H        GLY  92  -5.408   6.165  -6.353
  624    HA2  GLY  92           HA2      GLY  92  -2.939   4.698  -6.835
  625    HA3  GLY  92           HA3      GLY  92  -3.507   5.386  -5.291
  626    H    ASP  93           H        ASP  93  -5.987   3.334  -6.286
  627    HA   ASP  93           HA       ASP  93  -5.091   1.351  -4.322
  628    HB2  ASP  93           HB2      ASP  93  -7.696   1.681  -5.837
  629    HB3  ASP  93           HB3      ASP  93  -7.428   0.531  -4.538
  630    H    LEU  94           H        LEU  94  -4.544  -0.782  -4.654
  631    HA   LEU  94           HA       LEU  94  -3.914  -1.564  -7.472
  632    HB2  LEU  94           HB2      LEU  94  -2.310  -1.912  -4.917
  633    HB3  LEU  94           HB3      LEU  94  -1.789  -2.441  -6.454
  634    HG   LEU  94           HG       LEU  94  -2.449   0.454  -6.468
  635   HD11  LEU  94          HD11      LEU  94   0.199   0.070  -5.191
  636   HD12  LEU  94          HD12      LEU  94  -1.022   1.315  -4.997
  637   HD13  LEU  94          HD13      LEU  94  -1.153  -0.227  -4.124
  638   HD21  LEU  94          HD21      LEU  94  -1.293  -0.813  -8.225
  639   HD22  LEU  94          HD22      LEU  94  -0.318   0.559  -7.600
  640   HD23  LEU  94          HD23      LEU  94   0.063  -1.096  -7.089
  641    HA   PRO  95           HA       PRO  95  -5.638  -5.566  -6.666
  642    HB2  PRO  95           HB2      PRO  95  -4.094  -7.317  -8.097
  643    HB3  PRO  95           HB3      PRO  95  -5.143  -6.085  -8.868
  644    HG2  PRO  95           HG2      PRO  95  -2.172  -5.892  -8.272
  645    HG3  PRO  95           HG3      PRO  95  -3.019  -5.544  -9.817
  646    HD2  PRO  95           HD2      PRO  95  -2.363  -3.590  -8.050
  647    HD3  PRO  95           HD3      PRO  95  -3.888  -3.511  -8.981
  648    H    VAL  96           H        VAL  96  -5.267  -7.737  -5.750
  649    HA   VAL  96           HA       VAL  96  -4.029  -7.155  -3.256
  650    HB   VAL  96           HB       VAL  96  -5.061  -9.233  -2.409
  651   HG11  VAL  96          HG11      VAL  96  -6.922  -7.428  -4.019
  652   HG12  VAL  96          HG12      VAL  96  -7.351  -8.410  -2.606
  653   HG13  VAL  96          HG13      VAL  96  -6.226  -7.049  -2.432
  654   HG21  VAL  96          HG21      VAL  96  -5.071 -10.684  -4.376
  655   HG22  VAL  96          HG22      VAL  96  -6.735 -10.379  -3.861
  656   HG23  VAL  96          HG23      VAL  96  -6.088  -9.526  -5.271
  657    H    LEU  97           H        LEU  97  -2.391  -7.732  -2.311
  658    HA   LEU  97           HA       LEU  97  -0.268  -9.430  -3.375
  659    HB2  LEU  97           HB2      LEU  97  -0.098  -7.109  -2.336
  660    HB3  LEU  97           HB3      LEU  97  -0.570  -7.784  -0.822
  661    HG   LEU  97           HG       LEU  97   1.534  -8.099  -0.300
  662   HD11  LEU  97          HD11      LEU  97   1.903  -9.855  -2.770
  663   HD12  LEU  97          HD12      LEU  97   3.060  -9.681  -1.445
  664   HD13  LEU  97          HD13      LEU  97   1.490 -10.411  -1.125
  665   HD21  LEU  97          HD21      LEU  97   1.992  -6.212  -1.738
  666   HD22  LEU  97          HD22      LEU  97   3.372  -7.323  -1.685
  667   HD23  LEU  97          HD23      LEU  97   2.307  -7.301  -3.114
  668    H    VAL  98           H        VAL  98  -1.494 -11.445  -3.302
  669    HA   VAL  98           HA       VAL  98  -2.337 -12.707  -0.843
  670    HB   VAL  98           HB       VAL  98  -1.339 -14.046  -3.390
  671   HG11  VAL  98          HG11      VAL  98  -3.045 -15.096  -1.078
  672   HG12  VAL  98          HG12      VAL  98  -2.768 -15.957  -2.607
  673   HG13  VAL  98          HG13      VAL  98  -1.413 -15.646  -1.522
  674   HG21  VAL  98          HG21      VAL  98  -3.231 -12.562  -3.908
  675   HG22  VAL  98          HG22      VAL  98  -3.741 -14.248  -3.983
  676   HG23  VAL  98          HG23      VAL  98  -4.172 -13.261  -2.575
  677    H    VAL  99           H        VAL  99  -1.095 -14.023   0.652
  678    HA   VAL  99           HA       VAL  99   1.831 -14.329   0.117
  679    HB   VAL  99           HB       VAL  99   2.377 -13.905   2.454
  680   HG11  VAL  99          HG11      VAL  99   0.824 -11.573   1.279
  681   HG12  VAL  99          HG12      VAL  99   2.028 -11.471   2.575
  682   HG13  VAL  99          HG13      VAL  99   2.490 -11.984   0.923
  683   HG21  VAL  99          HG21      VAL  99   0.181 -14.516   3.432
  684   HG22  VAL  99          HG22      VAL  99   0.948 -13.064   4.095
  685   HG23  VAL  99          HG23      VAL  99  -0.411 -12.912   2.968
  686    H    ASN 100           H        ASN 100   2.803 -16.170   1.320
  687    HA   ASN 100           HA       ASN 100   0.960 -18.418   1.070
  688    HB2  ASN 100           HB2      ASN 100   2.879 -19.836   1.255
  689    HB3  ASN 100           HB3      ASN 100   3.173 -18.537   0.114
  690   HD21  ASN 100          HD21      ASN 100   3.562 -18.059   3.691
  691   HD22  ASN 100          HD22      ASN 100   5.325 -18.102   3.587
  692    H    ASN 101           H        ASN 101   0.699 -20.160   2.576
  693    HA   ASN 101           HA       ASN 101  -0.528 -19.594   4.892
  694    HB2  ASN 101           HB2      ASN 101  -0.701 -21.647   3.663
  695    HB3  ASN 101           HB3      ASN 101   0.917 -22.161   4.164
  696   HD21  ASN 101          HD21      ASN 101   1.167 -23.037   6.348
  697   HD22  ASN 101          HD22      ASN 101  -0.231 -23.253   7.384
  698    H    ASP 102           H        ASP 102   2.975 -19.725   4.812
  699    HA   ASP 102           HA       ASP 102   3.074 -19.799   7.791
  700    HB2  ASP 102           HB2      ASP 102   4.503 -21.335   6.011
  701    HB3  ASP 102           HB3      ASP 102   5.650 -20.040   6.359
  702    H    GLY 103           H        GLY 103   2.884 -17.419   5.590
  703    HA2  GLY 103           HA2      GLY 103   2.878 -15.200   6.204
  704    HA3  GLY 103           HA3      GLY 103   4.009 -15.522   7.534
  705    H    ILE 104           H        ILE 104   4.330 -16.021   3.982
  706    HA   ILE 104           HA       ILE 104   6.436 -13.925   3.866
  707    HB   ILE 104           HB       ILE 104   6.711 -16.727   2.688
  708   HG12  ILE 104          HG12      ILE 104   8.306 -15.415   4.936
  709   HG13  ILE 104          HG13      ILE 104   7.119 -16.696   5.145
  710   HG21  ILE 104          HG21      ILE 104   8.771 -14.489   2.617
  711   HG22  ILE 104          HG22      ILE 104   8.878 -16.083   1.850
  712   HG23  ILE 104          HG23      ILE 104   7.720 -14.923   1.252
  713   HD11  ILE 104          HD11      ILE 104   9.798 -16.954   3.748
  714   HD12  ILE 104          HD12      ILE 104   9.264 -17.706   5.256
  715   HD13  ILE 104          HD13      ILE 104   8.528 -18.205   3.720
  716    H    ALA 105           H        ALA 105   6.390 -12.718   2.123
  717    HA   ALA 105           HA       ALA 105   4.288 -13.086   0.051
  718    HB1  ALA 105           HB1      ALA 105   6.054 -10.690   0.786
  719    HB2  ALA 105           HB2      ALA 105   4.688 -10.696  -0.348
  720    HB3  ALA 105           HB3      ALA 105   4.409 -10.930   1.387
  721    H    THR 106           H        THR 106   5.006 -14.066  -1.774
  722    HA   THR 106           HA       THR 106   7.707 -13.585  -2.867
  723    HB   THR 106           HB       THR 106   8.027 -15.179  -1.038
  724    HG1  THR 106           HG1      THR 106   8.350 -16.007  -3.687
  725   HG21  THR 106          HG21      THR 106   6.271 -17.084  -2.653
  726   HG22  THR 106          HG22      THR 106   7.264 -17.505  -1.244
  727   HG23  THR 106          HG23      THR 106   5.891 -16.411  -1.050
  728    H    GLU 107           H        GLU 107   4.891 -13.280  -3.879
  729    HA   GLU 107           HA       GLU 107   5.359 -14.511  -6.514
  730    HB2  GLU 107           HB2      GLU 107   2.797 -14.669  -4.894
  731    HB3  GLU 107           HB3      GLU 107   2.756 -14.690  -6.653
  732    HG2  GLU 107           HG2      GLU 107   4.417 -16.686  -5.064
  733    HG3  GLU 107           HG3      GLU 107   2.725 -16.948  -5.473
  734    HA   PRO 108           HA       PRO 108   4.765 -10.224  -7.357
  735    HB2  PRO 108           HB2      PRO 108   4.830 -10.145 -10.069
  736    HB3  PRO 108           HB3      PRO 108   6.211 -10.755  -9.111
  737    HG2  PRO 108           HG2      PRO 108   3.992 -12.385 -10.411
  738    HG3  PRO 108           HG3      PRO 108   5.764 -12.621 -10.564
  739    HD2  PRO 108           HD2      PRO 108   4.265 -14.022  -8.751
  740    HD3  PRO 108           HD3      PRO 108   5.932 -13.494  -8.386
  741    H    VAL 109           H        VAL 109   3.520  -8.546  -8.307
  742    HA   VAL 109           HA       VAL 109   1.002  -9.144  -9.701
  743    HB   VAL 109           HB       VAL 109  -0.349  -7.550  -8.438
  744   HG11  VAL 109          HG11      VAL 109   0.706  -9.681  -6.539
  745   HG12  VAL 109          HG12      VAL 109  -0.872  -8.874  -6.488
  746   HG13  VAL 109          HG13      VAL 109  -0.484  -9.957  -7.834
  747   HG21  VAL 109          HG21      VAL 109   1.342  -6.083  -7.466
  748   HG22  VAL 109          HG22      VAL 109   0.309  -6.741  -6.196
  749   HG23  VAL 109          HG23      VAL 109   1.937  -7.407  -6.429
  750    H    THR 110           H        THR 110   0.070  -6.881 -10.584
  751    HA   THR 110           HA       THR 110   2.287  -4.939 -11.101
  752    HB   THR 110           HB       THR 110   0.631  -6.284 -13.275
  753    HG1  THR 110           HG1      THR 110   2.407  -7.394 -13.683
  754   HG21  THR 110          HG21      THR 110   2.881  -4.210 -13.481
  755   HG22  THR 110          HG22      THR 110   2.203  -5.113 -14.845
  756   HG23  THR 110          HG23      THR 110   1.188  -3.985 -13.959
  757    H    ALA 111           H        ALA 111   1.651  -2.866 -11.469
  758    HA   ALA 111           HA       ALA 111  -1.226  -2.223 -11.057
  759    HB1  ALA 111           HB1      ALA 111   1.206  -0.445 -10.790
  760    HB2  ALA 111           HB2      ALA 111  -0.413  -0.154 -10.176
  761    HB3  ALA 111           HB3      ALA 111   0.591  -1.463  -9.480
  762    HA   PRO 112           HA       PRO 112  -0.726  -0.868 -15.472
  763    HB2  PRO 112           HB2      PRO 112  -3.181  -1.595 -16.434
  764    HB3  PRO 112           HB3      PRO 112  -1.841  -2.757 -16.206
  765    HG2  PRO 112           HG2      PRO 112  -4.125  -2.165 -14.288
  766    HG3  PRO 112           HG3      PRO 112  -3.585  -3.765 -14.898
  767    HD2  PRO 112           HD2      PRO 112  -2.744  -2.818 -12.502
  768    HD3  PRO 112           HD3      PRO 112  -1.626  -3.711 -13.577
  769    H    ARG 113           H        ARG 113  -2.281   0.435 -12.856
  770    HA   ARG 113           HA       ARG 113  -3.897   2.454 -14.297
  771    HB2  ARG 113           HB2      ARG 113  -3.146   2.340 -11.348
  772    HB3  ARG 113           HB3      ARG 113  -4.233   3.500 -12.105
  773    HG2  ARG 113           HG2      ARG 113  -5.752   1.521 -12.708
  774    HG3  ARG 113           HG3      ARG 113  -4.700   0.530 -11.680
  775    HD2  ARG 113           HD2      ARG 113  -5.140   2.366  -9.868
  776    HD3  ARG 113           HD3      ARG 113  -6.505   2.856 -10.868
  777    HE   ARG 113           HE       ARG 113  -6.133   0.426  -9.237
  778   HH11  ARG 113          HH11      ARG 113  -8.646   2.459 -10.557
  779   HH12  ARG 113          HH12      ARG 113  -9.779   1.189 -10.586
  780   HH21  ARG 113          HH21      ARG 113  -7.905  -0.902  -8.760
  781   HH22  ARG 113          HH22      ARG 113  -9.476  -0.436  -9.348
  782    H    LEU 114           H        LEU 114  -0.626   1.910 -13.758
  783    HA   LEU 114           HA       LEU 114   0.187   4.798 -13.834
  784    HB2  LEU 114           HB2      LEU 114   1.557   2.358 -12.610
  785    HB3  LEU 114           HB3      LEU 114   2.323   3.915 -12.823
  786    HG   LEU 114           HG       LEU 114   1.770   3.649 -10.555
  787   HD11  LEU 114          HD11      LEU 114  -0.136   5.694 -11.752
  788   HD12  LEU 114          HD12      LEU 114   0.474   5.665 -10.084
  789   HD13  LEU 114          HD13      LEU 114   1.597   5.913 -11.425
  790   HD21  LEU 114          HD21      LEU 114  -0.193   2.068 -10.864
  791   HD22  LEU 114          HD22      LEU 114  -0.332   3.278  -9.576
  792   HD23  LEU 114          HD23      LEU 114  -1.197   3.521 -11.095
  793    H    LYS 115           H        LYS 115   2.160   5.190 -14.921
  794    HA   LYS 115           HA       LYS 115   3.355   3.206 -16.687
  795    HB2  LYS 115           HB2      LYS 115   1.243   4.617 -17.780
  796    HB3  LYS 115           HB3      LYS 115   2.552   5.722 -18.125
  797    HG2  LYS 115           HG2      LYS 115   2.254   4.277 -20.030
  798    HG3  LYS 115           HG3      LYS 115   3.789   3.858 -19.273
  799    HD2  LYS 115           HD2      LYS 115   2.644   1.840 -19.949
  800    HD3  LYS 115           HD3      LYS 115   2.713   1.886 -18.192
  801    HE2  LYS 115           HE2      LYS 115   0.338   2.803 -18.196
  802    HE3  LYS 115           HE3      LYS 115   0.307   2.535 -19.951
  803    HZ1  LYS 115           HZ1      LYS 115   0.627   0.514 -17.826
  804    HZ2  LYS 115           HZ2      LYS 115  -0.612   0.601 -18.916
  805    HZ3  LYS 115           HZ3      LYS 115   0.868   0.171 -19.422
  806    H    SER 116           H        SER 116   3.933   5.500 -14.489
  807    HA   SER 116           HA       SER 116   6.733   5.192 -15.203
  808    HB2  SER 116           HB2      SER 116   6.223   7.294 -16.426
  809    HB3  SER 116           HB3      SER 116   5.800   8.045 -14.875
  810    HG   SER 116           HG       SER 116   8.040   8.393 -15.435
  811    H    LEU 117           H        LEU 117   8.190   5.407 -13.421
  812    HA   LEU 117           HA       LEU 117   7.171   5.538 -10.703
  813    HB2  LEU 117           HB2      LEU 117   9.940   5.701 -11.950
  814    HB3  LEU 117           HB3      LEU 117   9.692   6.296 -10.333
  815    HG   LEU 117           HG       LEU 117  10.591   4.271  -9.983
  816   HD11  LEU 117          HD11      LEU 117   7.634   3.674  -9.636
  817   HD12  LEU 117          HD12      LEU 117   8.981   2.939  -8.755
  818   HD13  LEU 117          HD13      LEU 117   8.626   4.658  -8.536
  819   HD21  LEU 117          HD21      LEU 117  10.473   3.255 -12.151
  820   HD22  LEU 117          HD22      LEU 117   9.957   2.132 -10.897
  821   HD23  LEU 117          HD23      LEU 117   8.721   2.925 -11.910
  822    H    ASP 118           H        ASP 118   7.893   7.988 -13.104
  823    HA   ASP 118           HA       ASP 118   8.357  10.268 -11.537
  824    HB2  ASP 118           HB2      ASP 118   6.585  10.071 -14.007
  825    HB3  ASP 118           HB3      ASP 118   7.200  11.568 -13.315
  826    H    GLU 119           H        GLU 119   5.336   8.509 -12.013
  827    HA   GLU 119           HA       GLU 119   3.535  10.536 -11.012
  828    HB2  GLU 119           HB2      GLU 119   3.242   7.521 -11.305
  829    HB3  GLU 119           HB3      GLU 119   1.914   8.651 -11.016
  830    HG2  GLU 119           HG2      GLU 119   2.326   9.748 -13.182
  831    HG3  GLU 119           HG3      GLU 119   3.701   8.682 -13.496
  832    H    VAL 120           H        VAL 120   5.748   8.444  -9.407
  833    HA   VAL 120           HA       VAL 120   4.351   8.793  -6.788
  834    HB   VAL 120           HB       VAL 120   4.855   6.462  -6.195
  835   HG11  VAL 120          HG11      VAL 120   3.229   6.560  -8.760
  836   HG12  VAL 120          HG12      VAL 120   3.136   5.366  -7.456
  837   HG13  VAL 120          HG13      VAL 120   2.643   7.042  -7.155
  838   HG21  VAL 120          HG21      VAL 120   6.790   6.100  -7.789
  839   HG22  VAL 120          HG22      VAL 120   5.579   4.808  -7.822
  840   HG23  VAL 120          HG23      VAL 120   5.613   6.018  -9.117
  841    H    LYS 121           H        LYS 121   6.943   9.783  -8.246
  842    HA   LYS 121           HA       LYS 121   9.231   8.858  -6.990
  843    HB2  LYS 121           HB2      LYS 121  10.281  10.805  -8.038
  844    HB3  LYS 121           HB3      LYS 121   9.072  10.088  -9.100
  845    HG2  LYS 121           HG2      LYS 121   7.426  11.859  -8.269
  846    HG3  LYS 121           HG3      LYS 121   8.774  12.640  -7.434
  847    HD2  LYS 121           HD2      LYS 121   9.881  13.145  -9.517
  848    HD3  LYS 121           HD3      LYS 121   8.841  12.022 -10.409
  849    HE2  LYS 121           HE2      LYS 121   6.856  13.471  -9.594
  850    HE3  LYS 121           HE3      LYS 121   8.076  14.698  -9.200
  851    HZ1  LYS 121           HZ1      LYS 121   7.564  13.486 -11.855
  852    HZ2  LYS 121           HZ2      LYS 121   7.192  15.027 -11.398
  853    HZ3  LYS 121           HZ3      LYS 121   8.765  14.574 -11.554
  854    H    ASP 122           H        ASP 122   7.061  10.141  -5.042
  855    HA   ASP 122           HA       ASP 122   8.950  10.916  -2.981
  856    HB2  ASP 122           HB2      ASP 122   8.461  13.014  -4.486
  857    HB3  ASP 122           HB3      ASP 122   6.883  13.024  -3.713
  858    H    LYS 123           H        LYS 123   6.790   8.901  -3.530
  859    HA   LYS 123           HA       LYS 123   4.731   9.596  -1.478
  860    HB2  LYS 123           HB2      LYS 123   4.506   7.861  -3.969
  861    HB3  LYS 123           HB3      LYS 123   3.242   8.081  -2.754
  862    HG2  LYS 123           HG2      LYS 123   3.377  10.579  -3.176
  863    HG3  LYS 123           HG3      LYS 123   4.386  10.211  -4.590
  864    HD2  LYS 123           HD2      LYS 123   2.553   8.801  -5.525
  865    HD3  LYS 123           HD3      LYS 123   1.595   9.079  -4.078
  866    HE2  LYS 123           HE2      LYS 123   0.731  10.533  -5.668
  867    HE3  LYS 123           HE3      LYS 123   1.647  11.547  -4.539
  868    HZ1  LYS 123           HZ1      LYS 123   2.591  10.635  -7.213
  869    HZ2  LYS 123           HZ2      LYS 123   2.147  12.165  -6.846
  870    HZ3  LYS 123           HZ3      LYS 123   3.480  11.524  -6.159
  871    H    ALA 124           H        ALA 124   3.591   7.711  -0.499
  872    HA   ALA 124           HA       ALA 124   5.450   5.483   0.193
  873    HB1  ALA 124           HB1      ALA 124   2.894   6.420   1.541
  874    HB2  ALA 124           HB2      ALA 124   3.959   5.116   2.107
  875    HB3  ALA 124           HB3      ALA 124   4.553   6.780   2.096
  876    H    LEU 125           H        LEU 125   4.834   3.411   0.102
  877    HA   LEU 125           HA       LEU 125   2.313   2.580  -1.295
  878    HB2  LEU 125           HB2      LEU 125   4.960   1.100  -0.988
  879    HB3  LEU 125           HB3      LEU 125   3.557   0.503  -1.835
  880    HG   LEU 125           HG       LEU 125   4.428   3.087  -2.975
  881   HD11  LEU 125          HD11      LEU 125   6.448   0.814  -2.813
  882   HD12  LEU 125          HD12      LEU 125   6.577   2.191  -3.926
  883   HD13  LEU 125          HD13      LEU 125   6.627   2.456  -2.171
  884   HD21  LEU 125          HD21      LEU 125   4.386   1.895  -5.068
  885   HD22  LEU 125          HD22      LEU 125   4.393   0.325  -4.245
  886   HD23  LEU 125          HD23      LEU 125   2.974   1.390  -4.122
  887    H    MET 126           H        MET 126   1.070   1.057  -0.091
  888    HA   MET 126           HA       MET 126   2.261   0.110   2.499
  889    HB2  MET 126           HB2      MET 126  -0.535   1.185   2.068
  890    HB3  MET 126           HB3      MET 126   0.022   0.327   3.514
  891    HG2  MET 126           HG2      MET 126   0.306   2.469   4.230
  892    HG3  MET 126           HG3      MET 126   1.904   2.199   3.547
  893    HE1  MET 126           HE1      MET 126   2.101   4.905   3.739
  894    HE2  MET 126           HE2      MET 126   0.918   6.005   3.015
  895    HE3  MET 126           HE3      MET 126   0.435   4.933   4.345
  896    H    ILE 127           H        ILE 127   1.947  -1.881   3.082
  897    HA   ILE 127           HA       ILE 127   0.281  -3.720   1.386
  898    HB   ILE 127           HB       ILE 127   2.585  -4.308   3.283
  899   HG12  ILE 127          HG12      ILE 127   2.153  -4.996   0.332
  900   HG13  ILE 127          HG13      ILE 127   3.057  -3.595   0.876
  901   HG21  ILE 127          HG21      ILE 127   0.678  -6.283   1.927
  902   HG22  ILE 127          HG22      ILE 127   2.153  -6.724   2.811
  903   HG23  ILE 127          HG23      ILE 127   0.816  -5.998   3.677
  904   HD11  ILE 127          HD11      ILE 127   3.821  -6.505   1.330
  905   HD12  ILE 127          HD12      ILE 127   4.632  -5.309   0.316
  906   HD13  ILE 127          HD13      ILE 127   4.657  -5.121   2.079
  907    H    HIS 128           H        HIS 128  -1.561  -4.316   2.134
  908    HA   HIS 128           HA       HIS 128  -2.381  -3.150   4.723
  909    HB2  HIS 128           HB2      HIS 128  -3.303  -3.033   1.870
  910    HB3  HIS 128           HB3      HIS 128  -4.522  -2.856   3.059
  911    HD1  HIS 128           HD1      HIS 128  -3.242  -1.063   5.169
  912    HD2  HIS 128           HD2      HIS 128  -3.113  -0.594   1.038
  913    HE1  HIS 128           HE1      HIS 128  -3.152   1.469   4.773
  914    H    VAL 129           H        VAL 129  -4.125  -4.015   5.922
  915    HA   VAL 129           HA       VAL 129  -3.232  -6.630   6.437
  916    HB   VAL 129           HB       VAL 129  -5.555  -5.124   7.656
  917   HG11  VAL 129          HG11      VAL 129  -4.263  -7.700   8.656
  918   HG12  VAL 129          HG12      VAL 129  -5.335  -6.664   9.623
  919   HG13  VAL 129          HG13      VAL 129  -5.966  -7.473   8.191
  920   HG21  VAL 129          HG21      VAL 129  -3.240  -4.152   7.957
  921   HG22  VAL 129          HG22      VAL 129  -3.958  -4.673   9.483
  922   HG23  VAL 129          HG23      VAL 129  -2.725  -5.676   8.687
  923    H    GLY 130           H        GLY 130  -6.326  -5.688   4.912
  924    HA2  GLY 130           HA2      GLY 130  -6.884  -8.604   4.382
  925    HA3  GLY 130           HA3      GLY 130  -8.133  -7.357   4.534
  926    H    GLY 131           H        GLY 131  -6.959  -9.211   2.287
  927    HA2  GLY 131           HA2      GLY 131  -6.544  -7.859  -0.075
  928    HA3  GLY 131           HA3      GLY 131  -7.609  -9.248   0.080
  929    H    ASP 132           H        ASP 132  -7.585  -6.562  -1.364
  930    HA   ASP 132           HA       ASP 132  -9.644  -4.949  -0.250
  931    HB2  ASP 132           HB2      ASP 132  -7.496  -4.414  -1.582
  932    HB3  ASP 132           HB3      ASP 132  -8.425  -4.748  -3.017
  933    H    ASN 133           H        ASN 133 -10.170  -7.860  -1.766
  934    HA   ASN 133           HA       ASN 133 -12.483  -7.152  -3.370
  935    HB2  ASN 133           HB2      ASN 133 -12.936  -9.441  -3.618
  936    HB3  ASN 133           HB3      ASN 133 -11.201  -9.227  -3.757
  937   HD21  ASN 133          HD21      ASN 133 -11.955 -11.777  -3.436
  938   HD22  ASN 133          HD22      ASN 133 -11.667 -12.294  -1.782
  939    H    MET 134           H        MET 134 -12.049  -6.857  -0.125
  940    HA   MET 134           HA       MET 134 -14.949  -6.985   0.526
  941    HB2  MET 134           HB2      MET 134 -14.318  -6.620   2.798
  942    HB3  MET 134           HB3      MET 134 -13.284  -7.881   2.141
  943    HG2  MET 134           HG2      MET 134 -11.454  -6.208   1.860
  944    HG3  MET 134           HG3      MET 134 -12.513  -4.946   2.468
  945    HE1  MET 134           HE1      MET 134 -10.552  -8.179   3.216
  946    HE2  MET 134           HE2      MET 134 -10.713  -8.390   4.978
  947    HE3  MET 134           HE3      MET 134 -12.103  -8.685   3.923
  948    H    SER 135           H        SER 135 -13.324  -4.856  -1.275
  949    HA   SER 135           HA       SER 135 -13.139  -2.394  -0.196
  950    HB2  SER 135           HB2      SER 135 -13.611  -1.513  -2.489
  951    HB3  SER 135           HB3      SER 135 -12.501  -2.876  -2.484
  952    HG   SER 135           HG       SER 135 -15.302  -3.090  -2.972
  953    H    ASP 136           H        ASP 136 -16.198  -3.898  -0.642
  954    HA   ASP 136           HA       ASP 136 -17.957  -1.623  -0.875
  955    HB2  ASP 136           HB2      ASP 136 -19.656  -3.429  -0.505
  956    HB3  ASP 136           HB3      ASP 136 -18.510  -3.800  -1.787
  957    H    GLN 137           H        GLN 137 -16.239  -2.805   1.840
  958    HA   GLN 137           HA       GLN 137 -18.154  -3.158   3.762
  959    HB2  GLN 137           HB2      GLN 137 -15.384  -1.920   4.166
  960    HB3  GLN 137           HB3      GLN 137 -16.431  -2.375   5.491
  961    HG2  GLN 137           HG2      GLN 137 -14.810  -4.139   3.743
  962    HG3  GLN 137           HG3      GLN 137 -15.075  -4.182   5.459
  963   HE21  GLN 137          HE21      GLN 137 -16.373  -5.218   2.331
  964   HE22  GLN 137          HE22      GLN 137 -17.630  -6.245   2.999
  965    HA   PRO 138           HA       PRO 138 -19.788   0.829   5.042
  966    HB2  PRO 138           HB2      PRO 138 -20.982   0.182   7.395
  967    HB3  PRO 138           HB3      PRO 138 -21.557  -0.469   5.836
  968    HG2  PRO 138           HG2      PRO 138 -19.671  -1.807   7.810
  969    HG3  PRO 138           HG3      PRO 138 -21.171  -2.480   7.093
  970    HD2  PRO 138           HD2      PRO 138 -18.704  -2.982   6.038
  971    HD3  PRO 138           HD3      PRO 138 -20.146  -2.793   5.000
  972    H    LYS 139           H        LYS 139 -16.938   0.285   5.445
  973    HA   LYS 139           HA       LYS 139 -16.443   2.171   7.628
  974    HB2  LYS 139           HB2      LYS 139 -14.880  -0.451   7.386
  975    HB3  LYS 139           HB3      LYS 139 -14.395   0.937   8.353
  976    HG2  LYS 139           HG2      LYS 139 -15.433  -0.167  10.034
  977    HG3  LYS 139           HG3      LYS 139 -16.848   0.649   9.406
  978    HD2  LYS 139           HD2      LYS 139 -17.654  -1.535   9.565
  979    HD3  LYS 139           HD3      LYS 139 -17.094  -1.534   7.901
  980    HE2  LYS 139           HE2      LYS 139 -16.154  -3.511   8.710
  981    HE3  LYS 139           HE3      LYS 139 -14.811  -2.370   8.882
  982    HZ1  LYS 139           HZ1      LYS 139 -16.612  -3.404  10.993
  983    HZ2  LYS 139           HZ2      LYS 139 -14.974  -3.526  10.922
  984    HZ3  LYS 139           HZ3      LYS 139 -15.652  -2.086  11.246
  985    HA   PRO 140           HA       PRO 140 -14.581   4.106   4.284
  986    HB2  PRO 140           HB2      PRO 140 -12.723   5.827   5.394
  987    HB3  PRO 140           HB3      PRO 140 -14.496   6.025   5.531
  988    HG2  PRO 140           HG2      PRO 140 -12.610   4.722   7.521
  989    HG3  PRO 140           HG3      PRO 140 -13.864   5.969   7.836
  990    HD2  PRO 140           HD2      PRO 140 -14.375   3.355   8.274
  991    HD3  PRO 140           HD3      PRO 140 -15.624   4.401   7.528
  992    H    LEU 141           H        LEU 141 -12.677   4.532   3.003
  993    HA   LEU 141           HA       LEU 141 -10.864   3.886   1.832
  994    HB2  LEU 141           HB2      LEU 141  -9.716   3.160   4.558
  995    HB3  LEU 141           HB3      LEU 141  -8.800   3.367   3.086
  996    HG   LEU 141           HG       LEU 141 -10.324   5.546   4.566
  997   HD11  LEU 141          HD11      LEU 141  -7.344   5.101   4.076
  998   HD12  LEU 141          HD12      LEU 141  -8.071   6.459   4.960
  999   HD13  LEU 141          HD13      LEU 141  -8.203   4.816   5.608
 1000   HD21  LEU 141          HD21      LEU 141 -10.472   6.067   2.179
 1001   HD22  LEU 141          HD22      LEU 141  -9.268   7.117   2.923
 1002   HD23  LEU 141          HD23      LEU 141  -8.740   5.724   1.958
 1003    H    GLY 142           H        GLY 142 -12.935   1.725   2.636
 1004    HA2  GLY 142           HA2      GLY 142 -13.343  -0.177   1.331
 1005    HA3  GLY 142           HA3      GLY 142 -11.600  -0.348   0.999
 1006    H    GLY 143           H        GLY 143 -12.343   0.046   4.344
 1007    HA2  GLY 143           HA2      GLY 143 -12.563  -1.449   6.118
 1008    HA3  GLY 143           HA3      GLY 143 -12.852  -2.763   4.950
 1009    H    GLY 144           H        GLY 144 -10.781  -3.337   3.637
 1010    HA2  GLY 144           HA2      GLY 144  -8.859  -4.386   5.501
 1011    HA3  GLY 144           HA3      GLY 144  -8.790  -4.506   3.728
 1012    H    GLY 145           H        GLY 145  -8.951  -1.288   4.443
 1013    HA2  GLY 145           HA2      GLY 145  -6.249  -0.753   3.611
 1014    HA3  GLY 145           HA3      GLY 145  -7.506   0.442   4.021
 1015    H    THR 146           H        THR 146  -6.931  -1.691   6.660
 1016    HA   THR 146           HA       THR 146  -5.151   0.152   8.103
 1017    HB   THR 146           HB       THR 146  -5.063  -1.819   9.739
 1018    HG1  THR 146           HG1      THR 146  -6.851  -3.293   9.327
 1019   HG21  THR 146          HG21      THR 146  -7.838  -0.748   9.035
 1020   HG22  THR 146          HG22      THR 146  -7.330  -1.427  10.594
 1021   HG23  THR 146          HG23      THR 146  -6.635   0.101  10.031
 1022    H    ARG 147           H        ARG 147  -2.916  -0.345   8.573
 1023    HA   ARG 147           HA       ARG 147  -1.638  -1.759   6.291
 1024    HB2  ARG 147           HB2      ARG 147   0.228  -0.428   6.517
 1025    HB3  ARG 147           HB3      ARG 147  -1.136   0.651   6.693
 1026    HG2  ARG 147           HG2      ARG 147   0.777  -0.303   8.865
 1027    HG3  ARG 147           HG3      ARG 147   0.600   1.316   8.189
 1028    HD2  ARG 147           HD2      ARG 147  -1.800   1.277   9.128
 1029    HD3  ARG 147           HD3      ARG 147  -1.281  -0.143  10.062
 1030    HE   ARG 147           HE       ARG 147   0.452   2.206  10.328
 1031   HH11  ARG 147          HH11      ARG 147  -2.307   0.491  11.820
 1032   HH12  ARG 147          HH12      ARG 147  -2.425   1.722  13.067
 1033   HH21  ARG 147          HH21      ARG 147   0.262   3.570  12.121
 1034   HH22  ARG 147          HH22      ARG 147  -0.991   3.237  13.308
 1035    H    TYR 148           H        TYR 148  -0.164  -3.360   6.439
 1036    HA   TYR 148           HA       TYR 148   0.726  -4.201   9.178
 1037    HB2  TYR 148           HB2      TYR 148  -0.394  -5.987   7.708
 1038    HB3  TYR 148           HB3      TYR 148   1.047  -5.972   6.687
 1039    HD1  TYR 148           HD1      TYR 148  -0.231  -6.632  10.118
 1040    HD2  TYR 148           HD2      TYR 148   3.158  -6.858   7.457
 1041    HE1  TYR 148           HE1      TYR 148   0.948  -8.108  11.742
 1042    HE2  TYR 148           HE2      TYR 148   4.332  -8.322   9.075
 1043    HH   TYR 148           HH       TYR 148   4.122  -9.578  10.989
 1044    H    ALA 149           H        ALA 149   1.749  -2.937   6.024
 1045    HA   ALA 149           HA       ALA 149   4.154  -1.996   7.370
 1046    HB1  ALA 149           HB1      ALA 149   4.444  -3.694   4.852
 1047    HB2  ALA 149           HB2      ALA 149   5.745  -2.868   5.741
 1048    HB3  ALA 149           HB3      ALA 149   4.885  -4.214   6.497
 1049    H    CYS 150           H        CYS 150   5.177  -0.261   6.387
 1050    HA   CYS 150           HA       CYS 150   3.813   1.107   4.120
 1051    HB2  CYS 150           HB2      CYS 150   3.250   2.135   6.304
 1052    HB3  CYS 150           HB3      CYS 150   4.972   2.325   6.649
 1053    H    GLY 151           H        GLY 151   5.176   2.112   2.700
 1054    HA2  GLY 151           HA2      GLY 151   8.138   1.515   2.790
 1055    HA3  GLY 151           HA3      GLY 151   7.088   1.085   1.457
 1056    H    VAL 152           H        VAL 152   8.809   3.743   2.816
 1057    HA   VAL 152           HA       VAL 152   7.562   5.701   1.011
 1058    HB   VAL 152           HB       VAL 152  10.096   6.126   2.633
 1059   HG11  VAL 152          HG11      VAL 152   8.062   8.031   1.373
 1060   HG12  VAL 152          HG12      VAL 152   9.407   8.529   2.421
 1061   HG13  VAL 152          HG13      VAL 152   9.737   7.799   0.849
 1062   HG21  VAL 152          HG21      VAL 152   8.306   5.530   4.196
 1063   HG22  VAL 152          HG22      VAL 152   8.627   7.260   4.291
 1064   HG23  VAL 152          HG23      VAL 152   7.194   6.679   3.411
 1065    H    ILE 153           H        ILE 153   8.190   6.231  -0.979
 1066    HA   ILE 153           HA       ILE 153  10.305   4.777  -2.374
 1067    HB   ILE 153           HB       ILE 153   8.360   6.983  -3.154
 1068   HG12  ILE 153          HG12      ILE 153   8.491   4.074  -4.066
 1069   HG13  ILE 153          HG13      ILE 153   7.569   4.571  -2.650
 1070   HG21  ILE 153          HG21      ILE 153  10.403   5.577  -4.911
 1071   HG22  ILE 153          HG22      ILE 153   9.037   6.523  -5.534
 1072   HG23  ILE 153          HG23      ILE 153  10.281   7.317  -4.581
 1073   HD11  ILE 153          HD11      ILE 153   7.050   5.476  -5.490
 1074   HD12  ILE 153          HD12      ILE 153   6.065   4.379  -4.521
 1075   HD13  ILE 153          HD13      ILE 153   6.189   6.072  -4.044
 1076    H    LYS 154           H        LYS 154  12.302   5.377  -2.897
 1077    HA   LYS 154           HA       LYS 154  13.212   8.169  -2.633
 1078    HB2  LYS 154           HB2      LYS 154  14.617   5.843  -1.237
 1079    HB3  LYS 154           HB3      LYS 154  15.217   7.493  -1.322
 1080    HG2  LYS 154           HG2      LYS 154  12.709   6.609   0.160
 1081    HG3  LYS 154           HG3      LYS 154  14.285   6.879   0.883
 1082    HD2  LYS 154           HD2      LYS 154  14.208   9.266   0.400
 1083    HD3  LYS 154           HD3      LYS 154  12.711   9.073  -0.530
 1084    HE2  LYS 154           HE2      LYS 154  11.679   8.036   1.563
 1085    HE3  LYS 154           HE3      LYS 154  13.103   8.577   2.455
 1086    HZ1  LYS 154           HZ1      LYS 154  11.232  10.356   0.989
 1087    HZ2  LYS 154           HZ2      LYS 154  11.267  10.113   2.623
 1088    HZ3  LYS 154           HZ3      LYS 154  12.524  10.856   1.910
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1  12.199  -1.598 -15.132
    2    H2   ALA   1           H2       ALA   1  12.912  -1.006 -16.503
    3    H3   ALA   1           H3       ALA   1  11.715  -0.161 -15.774
    4    HA   ALA   1           HA       ALA   1  14.405  -0.701 -14.724
    5    HB1  ALA   1           HB1      ALA   1  13.099   1.947 -15.488
    6    HB2  ALA   1           HB2      ALA   1  14.725   1.742 -14.802
    7    HB3  ALA   1           HB3      ALA   1  14.359   1.092 -16.410
    8    H    SER   2           H        SER   2  14.866   0.082 -12.517
    9    HA   SER   2           HA       SER   2  12.374  -0.324 -10.927
   10    HB2  SER   2           HB2      SER   2  14.855  -1.816 -10.252
   11    HB3  SER   2           HB3      SER   2  13.177  -2.310 -10.087
   12    HG   SER   2           HG       SER   2  13.245  -2.606 -12.495
   13    H    GLU   3           H        GLU   3  12.395  -0.163  -8.708
   14    HA   GLU   3           HA       GLU   3  14.834   0.545  -7.351
   15    HB2  GLU   3           HB2      GLU   3  14.054   2.822  -7.758
   16    HB3  GLU   3           HB3      GLU   3  12.452   2.413  -7.112
   17    HG2  GLU   3           HG2      GLU   3  13.696   3.712  -5.501
   18    HG3  GLU   3           HG3      GLU   3  13.420   2.083  -4.863
   19    H    LYS   4           H        LYS   4  14.884  -0.302  -5.404
   20    HA   LYS   4           HA       LYS   4  12.705  -2.115  -4.584
   21    HB2  LYS   4           HB2      LYS   4  14.314  -3.036  -2.959
   22    HB3  LYS   4           HB3      LYS   4  14.715  -3.225  -4.667
   23    HG2  LYS   4           HG2      LYS   4  16.328  -1.383  -4.539
   24    HG3  LYS   4           HG3      LYS   4  15.949  -1.125  -2.826
   25    HD2  LYS   4           HD2      LYS   4  16.936  -3.182  -2.163
   26    HD3  LYS   4           HD3      LYS   4  16.875  -3.830  -3.814
   27    HE2  LYS   4           HE2      LYS   4  19.136  -3.233  -3.481
   28    HE3  LYS   4           HE3      LYS   4  18.395  -2.028  -4.561
   29    HZ1  LYS   4           HZ1      LYS   4  18.844  -1.604  -1.647
   30    HZ2  LYS   4           HZ2      LYS   4  19.801  -0.996  -2.857
   31    HZ3  LYS   4           HZ3      LYS   4  18.254  -0.503  -2.721
   32    H    VAL   5           H        VAL   5  11.051  -1.158  -3.511
   33    HA   VAL   5           HA       VAL   5  11.593   1.068  -1.672
   34    HB   VAL   5           HB       VAL   5   9.025  -0.416  -2.338
   35   HG11  VAL   5          HG11      VAL   5   9.460   2.152  -0.731
   36   HG12  VAL   5          HG12      VAL   5   7.895   1.443  -1.180
   37   HG13  VAL   5          HG13      VAL   5   8.944   0.590  -0.058
   38   HG21  VAL   5          HG21      VAL   5   9.942   0.874  -4.241
   39   HG22  VAL   5          HG22      VAL   5   8.511   1.677  -3.596
   40   HG23  VAL   5          HG23      VAL   5  10.114   2.310  -3.203
   41    H    GLY   6           H        GLY   6  12.410   0.699   0.230
   42    HA2  GLY   6           HA2      GLY   6  12.357  -1.812   1.668
   43    HA3  GLY   6           HA3      GLY   6  12.974  -0.247   2.266
   44    H    MET   7           H        MET   7  10.491  -2.533   2.375
   45    HA   MET   7           HA       MET   7   8.415  -0.843   3.584
   46    HB2  MET   7           HB2      MET   7   8.678  -3.858   3.334
   47    HB3  MET   7           HB3      MET   7   7.219  -2.992   3.840
   48    HG2  MET   7           HG2      MET   7   8.569  -2.744   1.119
   49    HG3  MET   7           HG3      MET   7   7.199  -3.794   1.475
   50    HE1  MET   7           HE1      MET   7   5.614  -1.447   3.434
   51    HE2  MET   7           HE2      MET   7   4.417  -1.034   2.198
   52    HE3  MET   7           HE3      MET   7   4.882  -2.737   2.456
   53    H    ASN   8           H        ASN   8   8.390  -0.288   5.691
   54    HA   ASN   8           HA       ASN   8   9.514  -2.198   7.716
   55    HB2  ASN   8           HB2      ASN   8   9.375   0.800   7.702
   56    HB3  ASN   8           HB3      ASN   8   9.119  -0.071   9.228
   57   HD21  ASN   8          HD21      ASN   8  10.972   0.195  10.352
   58   HD22  ASN   8          HD22      ASN   8  12.523  -0.422   9.763
   59    H    LEU   9           H        LEU   9   8.312  -2.692   9.521
   60    HA   LEU   9           HA       LEU   9   5.452  -3.001   9.225
   61    HB2  LEU   9           HB2      LEU   9   7.314  -3.161  11.642
   62    HB3  LEU   9           HB3      LEU   9   5.618  -3.631  11.671
   63    HG   LEU   9           HG       LEU   9   7.713  -4.925   9.879
   64   HD11  LEU   9          HD11      LEU   9   6.620  -5.798  12.575
   65   HD12  LEU   9          HD12      LEU   9   7.540  -6.846  11.471
   66   HD13  LEU   9          HD13      LEU   9   8.298  -5.401  12.123
   67   HD21  LEU   9          HD21      LEU   9   5.461  -5.193   8.961
   68   HD22  LEU   9          HD22      LEU   9   5.991  -6.720   9.677
   69   HD23  LEU   9          HD23      LEU   9   4.841  -5.688  10.554
   70    H    VAL  10           H        VAL  10   3.821  -1.765   9.945
   71    HA   VAL  10           HA       VAL  10   4.425   0.549  11.706
   72    HB   VAL  10           HB       VAL  10   2.813   1.989  10.714
   73   HG11  VAL  10          HG11      VAL  10   4.719   1.037   8.527
   74   HG12  VAL  10          HG12      VAL  10   3.968   2.640   8.667
   75   HG13  VAL  10          HG13      VAL  10   5.145   2.112   9.876
   76   HG21  VAL  10          HG21      VAL  10   1.172   0.507   9.743
   77   HG22  VAL  10          HG22      VAL  10   1.787   1.561   8.474
   78   HG23  VAL  10          HG23      VAL  10   2.353  -0.123   8.560
   79    H    THR  11           H        THR  11   3.064   0.791  13.331
   80    HA   THR  11           HA       THR  11   0.735  -1.042  13.673
   81    HB   THR  11           HB       THR  11   2.643  -2.405  14.065
   82    HG1  THR  11           HG1      THR  11   1.823  -1.705  16.659
   83   HG21  THR  11          HG21      THR  11   3.639  -0.202  15.887
   84   HG22  THR  11          HG22      THR  11   4.234  -1.874  15.994
   85   HG23  THR  11          HG23      THR  11   4.460  -0.946  14.504
   86    H    ALA  12           H        ALA  12   1.231   1.901  13.629
   87    HA   ALA  12           HA       ALA  12   0.584   3.825  14.610
   88    HB1  ALA  12           HB1      ALA  12  -0.884   2.217  16.737
   89    HB2  ALA  12           HB2      ALA  12  -1.156   3.895  16.252
   90    HB3  ALA  12           HB3      ALA  12  -1.536   2.578  15.125
   91    H    GLN  13           H        GLN  13   2.276   1.512  16.666
   92    HA   GLN  13           HA       GLN  13   3.468   3.570  18.364
   93    HB2  GLN  13           HB2      GLN  13   4.530   0.786  17.678
   94    HB3  GLN  13           HB3      GLN  13   5.097   1.885  18.929
   95    HG2  GLN  13           HG2      GLN  13   3.998   0.221  20.057
   96    HG3  GLN  13           HG3      GLN  13   3.002   1.694  20.172
   97   HE21  GLN  13          HE21      GLN  13   0.858   1.485  19.522
   98   HE22  GLN  13          HE22      GLN  13   0.514   0.436  18.127
   99    H    GLY  14           H        GLY  14   3.414   4.206  15.530
  100    HA2  GLY  14           HA2      GLY  14   4.760   5.407  14.060
  101    HA3  GLY  14           HA3      GLY  14   6.199   4.943  15.010
  102    H    VAL  15           H        VAL  15   6.656   4.961  12.508
  103    HA   VAL  15           HA       VAL  15   6.825   2.333  11.306
  104    HB   VAL  15           HB       VAL  15   8.769   4.684  11.372
  105   HG11  VAL  15          HG11      VAL  15   8.898   2.146   9.694
  106   HG12  VAL  15          HG12      VAL  15   9.919   3.577   9.453
  107   HG13  VAL  15          HG13      VAL  15  10.076   2.629  10.933
  108   HG21  VAL  15          HG21      VAL  15   6.629   5.090  10.137
  109   HG22  VAL  15          HG22      VAL  15   8.038   5.071   9.071
  110   HG23  VAL  15          HG23      VAL  15   6.960   3.662   9.140
  111    H    GLY  16           H        GLY  16   7.551   0.576  12.240
  112    HA2  GLY  16           HA2      GLY  16   8.922   0.694  14.852
  113    HA3  GLY  16           HA3      GLY  16   8.201  -0.721  14.021
  114    H    GLN  17           H        GLN  17   9.297  -1.497  12.098
  115    HA   GLN  17           HA       GLN  17  12.194  -1.591  12.125
  116    HB2  GLN  17           HB2      GLN  17  12.358  -3.892  13.019
  117    HB3  GLN  17           HB3      GLN  17  11.876  -2.726  14.231
  118    HG2  GLN  17           HG2      GLN  17   9.998  -3.830  14.709
  119    HG3  GLN  17           HG3      GLN  17   9.467  -3.802  13.022
  120   HE21  GLN  17          HE21      GLN  17  11.320  -5.583  11.715
  121   HE22  GLN  17          HE22      GLN  17  11.101  -7.135  12.510
  122    H    SER  18           H        SER  18  12.988  -3.107  10.620
  123    HA   SER  18           HA       SER  18  11.280  -3.213   8.262
  124    HB2  SER  18           HB2      SER  18  13.470  -2.127   8.350
  125    HB3  SER  18           HB3      SER  18  14.244  -3.668   8.697
  126    HG   SER  18           HG       SER  18  13.870  -2.658   6.388
  127    H    ILE  19           H        ILE  19  11.075  -4.948   6.854
  128    HA   ILE  19           HA       ILE  19  11.489  -7.705   7.919
  129    HB   ILE  19           HB       ILE  19   9.129  -8.245   7.312
  130   HG12  ILE  19          HG12      ILE  19   7.631  -6.576   7.961
  131   HG13  ILE  19          HG13      ILE  19   8.824  -5.271   7.957
  132   HG21  ILE  19          HG21      ILE  19   9.713  -6.664   9.848
  133   HG22  ILE  19          HG22      ILE  19   8.502  -7.930   9.616
  134   HG23  ILE  19          HG23      ILE  19  10.215  -8.345   9.576
  135   HD11  ILE  19          HD11      ILE  19   7.885  -6.889   5.555
  136   HD12  ILE  19          HD12      ILE  19   7.384  -5.229   5.948
  137   HD13  ILE  19          HD13      ILE  19   9.071  -5.548   5.525
  138    H    GLY  20           H        GLY  20  11.749  -5.735   5.285
  139    HA2  GLY  20           HA2      GLY  20  12.959  -7.246   3.414
  140    HA3  GLY  20           HA3      GLY  20  11.272  -7.727   3.161
  141    H    THR  21           H        THR  21  12.423  -6.586   1.015
  142    HA   THR  21           HA       THR  21  11.221  -3.843   0.966
  143    HB   THR  21           HB       THR  21  12.527  -3.212  -0.835
  144    HG1  THR  21           HG1      THR  21  13.317  -5.922  -1.124
  145   HG21  THR  21          HG21      THR  21  14.513  -4.952   0.667
  146   HG22  THR  21          HG22      THR  21  14.825  -3.474  -0.261
  147   HG23  THR  21          HG23      THR  21  13.914  -3.388   1.257
  148    H    VAL  22           H        VAL  22  10.204  -3.414  -1.227
  149    HA   VAL  22           HA       VAL  22   9.404  -5.894  -2.651
  150    HB   VAL  22           HB       VAL  22   7.622  -3.410  -2.525
  151   HG11  VAL  22          HG11      VAL  22   7.479  -6.077  -3.995
  152   HG12  VAL  22          HG12      VAL  22   6.109  -5.034  -3.834
  153   HG13  VAL  22          HG13      VAL  22   7.522  -4.458  -4.731
  154   HG21  VAL  22          HG21      VAL  22   7.441  -4.894  -0.457
  155   HG22  VAL  22          HG22      VAL  22   5.958  -4.775  -1.408
  156   HG23  VAL  22          HG23      VAL  22   6.972  -6.217  -1.548
  157    H    VAL  23           H        VAL  23  10.164  -5.831  -4.727
  158    HA   VAL  23           HA       VAL  23  11.489  -3.316  -5.559
  159    HB   VAL  23           HB       VAL  23  12.661  -5.381  -5.879
  160   HG11  VAL  23          HG11      VAL  23  12.313  -6.826  -7.814
  161   HG12  VAL  23          HG12      VAL  23  11.220  -7.032  -6.461
  162   HG13  VAL  23          HG13      VAL  23  10.667  -6.175  -7.948
  163   HG21  VAL  23          HG21      VAL  23  13.146  -3.308  -7.202
  164   HG22  VAL  23          HG22      VAL  23  13.572  -4.782  -8.086
  165   HG23  VAL  23          HG23      VAL  23  12.078  -3.913  -8.489
  166    H    ILE  24           H        ILE  24  10.596  -1.801  -6.718
  167    HA   ILE  24           HA       ILE  24   8.160  -2.451  -8.331
  168    HB   ILE  24           HB       ILE  24   9.268   0.291  -7.593
  169   HG12  ILE  24          HG12      ILE  24   6.903  -1.283  -6.562
  170   HG13  ILE  24          HG13      ILE  24   8.127  -0.766  -5.545
  171   HG21  ILE  24          HG21      ILE  24   6.718  -0.636  -9.072
  172   HG22  ILE  24          HG22      ILE  24   7.166   1.059  -8.743
  173   HG23  ILE  24          HG23      ILE  24   8.126   0.114  -9.846
  174   HD11  ILE  24          HD11      ILE  24   6.055   0.992  -6.837
  175   HD12  ILE  24          HD12      ILE  24   6.379   0.636  -5.146
  176   HD13  ILE  24          HD13      ILE  24   7.539   1.631  -6.051
  177    H    ASP  25           H        ASP  25   8.497  -2.778 -10.393
  178    HA   ASP  25           HA       ASP  25  10.765  -1.440 -11.789
  179    HB2  ASP  25           HB2      ASP  25  11.311  -3.746 -11.430
  180    HB3  ASP  25           HB3      ASP  25   9.743  -4.285 -12.079
  181    H    GLU  26           H        GLU  26  10.040  -0.189 -13.400
  182    HA   GLU  26           HA       GLU  26   7.187  -0.393 -14.187
  183    HB2  GLU  26           HB2      GLU  26   7.433   1.572 -15.550
  184    HB3  GLU  26           HB3      GLU  26   7.811   1.812 -13.839
  185    HG2  GLU  26           HG2      GLU  26   9.281   3.146 -15.024
  186    HG3  GLU  26           HG3      GLU  26  10.252   1.820 -14.428
  187    H    THR  27           H        THR  27   6.422  -0.781 -16.269
  188    HA   THR  27           HA       THR  27   8.253  -1.533 -18.378
  189    HB   THR  27           HB       THR  27   8.464  -3.545 -17.056
  190    HG1  THR  27           HG1      THR  27   7.415  -5.068 -18.539
  191   HG21  THR  27          HG21      THR  27   5.423  -3.693 -17.040
  192   HG22  THR  27          HG22      THR  27   6.513  -5.007 -16.534
  193   HG23  THR  27          HG23      THR  27   6.505  -3.493 -15.647
  194    H    GLU  28           H        GLU  28   6.584  -2.905 -20.015
  195    HA   GLU  28           HA       GLU  28   4.795  -0.896 -21.025
  196    HB2  GLU  28           HB2      GLU  28   4.159  -2.558 -22.686
  197    HB3  GLU  28           HB3      GLU  28   5.922  -2.504 -22.466
  198    HG2  GLU  28           HG2      GLU  28   5.723  -4.542 -20.968
  199    HG3  GLU  28           HG3      GLU  28   4.013  -4.631 -21.405
  200    H    GLY  29           H        GLY  29   4.263  -3.516 -18.751
  201    HA2  GLY  29           HA2      GLY  29   1.359  -2.909 -18.643
  202    HA3  GLY  29           HA3      GLY  29   2.185  -4.254 -17.788
  203    H    GLY  30           H        GLY  30   3.635  -1.148 -17.662
  204    HA2  GLY  30           HA2      GLY  30   3.695   0.573 -16.037
  205    HA3  GLY  30           HA3      GLY  30   2.255  -0.134 -15.319
  206    H    LEU  31           H        LEU  31   2.710  -0.086 -13.274
  207    HA   LEU  31           HA       LEU  31   5.383  -0.633 -12.238
  208    HB2  LEU  31           HB2      LEU  31   2.751  -0.156 -10.775
  209    HB3  LEU  31           HB3      LEU  31   4.367  -0.173 -10.038
  210    HG   LEU  31           HG       LEU  31   3.272   1.863 -12.030
  211   HD11  LEU  31          HD11      LEU  31   4.121   2.104  -9.107
  212   HD12  LEU  31          HD12      LEU  31   3.530   3.423 -10.136
  213   HD13  LEU  31          HD13      LEU  31   2.447   2.086  -9.710
  214   HD21  LEU  31          HD21      LEU  31   5.634   1.616 -12.549
  215   HD22  LEU  31          HD22      LEU  31   5.414   3.096 -11.610
  216   HD23  LEU  31          HD23      LEU  31   6.066   1.651 -10.823
  217    H    LYS  32           H        LYS  32   6.024  -2.685 -12.556
  218    HA   LYS  32           HA       LYS  32   4.538  -4.994 -11.539
  219    HB2  LYS  32           HB2      LYS  32   6.098  -5.001 -13.534
  220    HB3  LYS  32           HB3      LYS  32   7.430  -4.770 -12.407
  221    HG2  LYS  32           HG2      LYS  32   6.612  -6.930 -11.218
  222    HG3  LYS  32           HG3      LYS  32   5.513  -7.130 -12.595
  223    HD2  LYS  32           HD2      LYS  32   7.438  -8.412 -13.149
  224    HD3  LYS  32           HD3      LYS  32   7.571  -6.923 -14.104
  225    HE2  LYS  32           HE2      LYS  32   8.955  -6.061 -12.010
  226    HE3  LYS  32           HE3      LYS  32   9.081  -7.786 -11.612
  227    HZ1  LYS  32           HZ1      LYS  32  10.095  -6.299 -13.997
  228    HZ2  LYS  32           HZ2      LYS  32  10.977  -7.208 -12.995
  229    HZ3  LYS  32           HZ3      LYS  32   9.940  -7.946 -14.053
  230    H    PHE  33           H        PHE  33   4.314  -5.254  -9.472
  231    HA   PHE  33           HA       PHE  33   6.302  -4.446  -7.444
  232    HB2  PHE  33           HB2      PHE  33   3.549  -4.239  -7.581
  233    HB3  PHE  33           HB3      PHE  33   3.674  -5.832  -6.829
  234    HD1  PHE  33           HD1      PHE  33   5.437  -2.598  -6.479
  235    HD2  PHE  33           HD2      PHE  33   3.032  -5.551  -4.543
  236    HE1  PHE  33           HE1      PHE  33   5.782  -1.412  -4.289
  237    HE2  PHE  33           HE2      PHE  33   3.257  -4.307  -2.392
  238    HZ   PHE  33           HZ       PHE  33   4.677  -2.289  -2.247
  239    H    THR  34           H        THR  34   7.913  -5.993  -6.907
  240    HA   THR  34           HA       THR  34   6.984  -8.850  -6.920
  241    HB   THR  34           HB       THR  34   9.831  -8.152  -7.512
  242    HG1  THR  34           HG1      THR  34   8.459  -7.280  -9.083
  243   HG21  THR  34          HG21      THR  34   8.107 -10.624  -7.929
  244   HG22  THR  34          HG22      THR  34   9.793 -10.433  -8.451
  245   HG23  THR  34          HG23      THR  34   9.398 -10.427  -6.724
  246    HA   PRO  35           HA       PRO  35   8.195  -7.931  -2.667
  247    HB2  PRO  35           HB2      PRO  35   6.648  -9.775  -1.403
  248    HB3  PRO  35           HB3      PRO  35   5.927  -8.360  -2.235
  249    HG2  PRO  35           HG2      PRO  35   6.241 -11.193  -3.258
  250    HG3  PRO  35           HG3      PRO  35   4.777 -10.158  -3.303
  251    HD2  PRO  35           HD2      PRO  35   6.527 -10.447  -5.417
  252    HD3  PRO  35           HD3      PRO  35   5.600  -8.941  -5.110
  253    H    HIS  36           H        HIS  36   9.495  -8.910  -1.006
  254    HA   HIS  36           HA       HIS  36  10.241 -11.744  -1.312
  255    HB2  HIS  36           HB2      HIS  36  12.510 -11.449  -1.732
  256    HB3  HIS  36           HB3      HIS  36  11.758 -10.252  -2.778
  257    HD1  HIS  36           HD1      HIS  36  14.532 -10.497  -0.454
  258    HD2  HIS  36           HD2      HIS  36  11.701  -7.627  -1.556
  259    HE1  HIS  36           HE1      HIS  36  15.459  -8.262   0.409
  260    H    LEU  37           H        LEU  37   8.698 -10.409   0.677
  261    HA   LEU  37           HA       LEU  37  10.451  -9.913   3.020
  262    HB2  LEU  37           HB2      LEU  37   7.443  -9.528   2.946
  263    HB3  LEU  37           HB3      LEU  37   8.653  -8.782   4.003
  264    HG   LEU  37           HG       LEU  37   9.539  -7.885   1.588
  265   HD11  LEU  37          HD11      LEU  37   6.493  -7.942   1.315
  266   HD12  LEU  37          HD12      LEU  37   7.682  -7.277   0.176
  267   HD13  LEU  37          HD13      LEU  37   7.585  -9.017   0.428
  268   HD21  LEU  37          HD21      LEU  37   9.085  -6.512   3.512
  269   HD22  LEU  37          HD22      LEU  37   8.393  -5.783   2.052
  270   HD23  LEU  37          HD23      LEU  37   7.329  -6.607   3.226
  271    H    LYS  38           H        LYS  38  10.076 -10.840   5.071
  272    HA   LYS  38           HA       LYS  38   8.874 -13.584   4.884
  273    HB2  LYS  38           HB2      LYS  38  10.894 -14.531   5.898
  274    HB3  LYS  38           HB3      LYS  38  11.185 -13.781   4.359
  275    HG2  LYS  38           HG2      LYS  38  11.678 -11.733   6.339
  276    HG3  LYS  38           HG3      LYS  38  12.371 -13.239   6.977
  277    HD2  LYS  38           HD2      LYS  38  14.068 -12.060   5.677
  278    HD3  LYS  38           HD3      LYS  38  13.610 -13.552   4.830
  279    HE2  LYS  38           HE2      LYS  38  11.910 -12.106   3.530
  280    HE3  LYS  38           HE3      LYS  38  12.706 -10.696   4.234
  281    HZ1  LYS  38           HZ1      LYS  38  14.000 -12.767   2.540
  282    HZ2  LYS  38           HZ2      LYS  38  13.524 -11.295   2.029
  283    HZ3  LYS  38           HZ3      LYS  38  14.761 -11.422   3.149
  284    H    ALA  39           H        ALA  39   7.841 -11.273   6.348
  285    HA   ALA  39           HA       ALA  39   7.053 -12.748   8.743
  286    HB1  ALA  39           HB1      ALA  39   8.726 -10.216   8.959
  287    HB2  ALA  39           HB2      ALA  39   7.837 -10.956  10.312
  288    HB3  ALA  39           HB3      ALA  39   9.173 -11.830   9.536
  289    H    LEU  40           H        LEU  40   5.167 -12.457   7.166
  290    HA   LEU  40           HA       LEU  40   3.576 -10.266   8.306
  291    HB2  LEU  40           HB2      LEU  40   2.548 -10.682   5.590
  292    HB3  LEU  40           HB3      LEU  40   2.843  -9.296   6.528
  293    HG   LEU  40           HG       LEU  40   5.394  -9.571   5.768
  294   HD11  LEU  40          HD11      LEU  40   4.045 -11.205   3.597
  295   HD12  LEU  40          HD12      LEU  40   5.764 -10.821   3.744
  296   HD13  LEU  40          HD13      LEU  40   5.006 -11.933   4.891
  297   HD21  LEU  40          HD21      LEU  40   3.886  -7.788   4.927
  298   HD22  LEU  40          HD22      LEU  40   4.917  -8.421   3.632
  299   HD23  LEU  40          HD23      LEU  40   3.214  -8.922   3.731
  300    HA   PRO  41           HA       PRO  41   0.656 -13.347   8.770
  301    HB2  PRO  41           HB2      PRO  41  -1.840 -12.110   8.392
  302    HB3  PRO  41           HB3      PRO  41  -0.851 -12.008   9.874
  303    HG2  PRO  41           HG2      PRO  41  -0.931 -10.111   7.562
  304    HG3  PRO  41           HG3      PRO  41  -1.030  -9.728   9.313
  305    HD2  PRO  41           HD2      PRO  41   1.330  -9.496   8.075
  306    HD3  PRO  41           HD3      PRO  41   1.195 -10.344   9.657
  307    HA   PRO  42           HA       PRO  42   0.781 -14.687   4.657
  308    HB2  PRO  42           HB2      PRO  42   0.391 -17.317   4.889
  309    HB3  PRO  42           HB3      PRO  42   1.620 -16.470   5.892
  310    HG2  PRO  42           HG2      PRO  42  -1.220 -17.147   6.637
  311    HG3  PRO  42           HG3      PRO  42   0.252 -17.598   7.531
  312    HD2  PRO  42           HD2      PRO  42  -1.123 -15.295   8.157
  313    HD3  PRO  42           HD3      PRO  42   0.667 -15.405   8.264
  314    H    GLY  43           H        GLY  43  -1.729 -13.463   5.195
  315    HA2  GLY  43           HA2      GLY  43  -3.806 -15.042   3.808
  316    HA3  GLY  43           HA3      GLY  43  -4.025 -13.474   4.617
  317    H    GLU  44           H        GLU  44  -4.739 -12.213   3.190
  318    HA   GLU  44           HA       GLU  44  -3.116 -11.495   0.850
  319    HB2  GLU  44           HB2      GLU  44  -4.941 -11.290  -0.625
  320    HB3  GLU  44           HB3      GLU  44  -5.108 -12.888   0.044
  321    HG2  GLU  44           HG2      GLU  44  -6.809 -11.994   1.679
  322    HG3  GLU  44           HG3      GLU  44  -6.593 -10.404   0.899
  323    H    HIS  45           H        HIS  45  -2.990  -9.321   0.467
  324    HA   HIS  45           HA       HIS  45  -4.353  -7.460   2.398
  325    HB2  HIS  45           HB2      HIS  45  -1.443  -7.881   1.630
  326    HB3  HIS  45           HB3      HIS  45  -1.971  -6.404   2.417
  327    HD1  HIS  45           HD1      HIS  45  -3.571  -7.238   4.844
  328    HD2  HIS  45           HD2      HIS  45  -0.941  -9.906   3.023
  329    HE1  HIS  45           HE1      HIS  45  -3.271  -9.170   6.510
  330    HE2  HIS  45           HE2      HIS  45  -1.546 -10.789   5.422
  331    H    GLY  46           H        GLY  46  -5.458  -5.909   1.231
  332    HA2  GLY  46           HA2      GLY  46  -5.182  -5.078  -1.277
  333    HA3  GLY  46           HA3      GLY  46  -5.602  -3.962   0.036
  334    H    PHE  47           H        PHE  47  -4.120  -3.120  -2.326
  335    HA   PHE  47           HA       PHE  47  -1.500  -2.307  -1.143
  336    HB2  PHE  47           HB2      PHE  47  -1.042  -4.251  -2.471
  337    HB3  PHE  47           HB3      PHE  47  -2.087  -3.662  -3.771
  338    HD1  PHE  47           HD1      PHE  47   0.708  -1.706  -2.109
  339    HD2  PHE  47           HD2      PHE  47  -0.541  -4.051  -5.474
  340    HE1  PHE  47           HE1      PHE  47   2.600  -0.742  -3.511
  341    HE2  PHE  47           HE2      PHE  47   1.314  -3.086  -6.852
  342    HZ   PHE  47           HZ       PHE  47   2.777  -1.360  -5.898
  343    H    HIS  48           H        HIS  48  -1.838  -0.186  -0.859
  344    HA   HIS  48           HA       HIS  48  -2.899   1.367  -3.220
  345    HB2  HIS  48           HB2      HIS  48  -2.726   2.337  -0.353
  346    HB3  HIS  48           HB3      HIS  48  -3.470   3.182  -1.706
  347    HD2  HIS  48           HD2      HIS  48  -5.153   0.343  -2.604
  348    HE1  HIS  48           HE1      HIS  48  -6.833   0.681   1.254
  349    HE2  HIS  48           HE2      HIS  48  -7.005  -0.442  -1.037
  350    H    ILE  49           H        ILE  49  -2.083   3.377  -3.669
  351    HA   ILE  49           HA       ILE  49   0.561   4.221  -2.545
  352    HB   ILE  49           HB       ILE  49  -0.683   4.941  -5.210
  353   HG12  ILE  49          HG12      ILE  49   2.084   3.793  -4.636
  354   HG13  ILE  49          HG13      ILE  49   0.684   2.730  -4.862
  355   HG21  ILE  49          HG21      ILE  49   1.859   6.084  -3.915
  356   HG22  ILE  49          HG22      ILE  49   1.287   6.434  -5.559
  357   HG23  ILE  49          HG23      ILE  49   0.371   7.002  -4.187
  358   HD11  ILE  49          HD11      ILE  49   1.744   4.657  -6.943
  359   HD12  ILE  49          HD12      ILE  49   1.910   2.886  -6.914
  360   HD13  ILE  49          HD13      ILE  49   0.308   3.626  -7.113
  361    H    HIS  50           H        HIS  50   0.674   6.375  -1.906
  362    HA   HIS  50           HA       HIS  50  -1.879   7.645  -1.101
  363    HB2  HIS  50           HB2      HIS  50   0.398   6.737   0.710
  364    HB3  HIS  50           HB3      HIS  50  -0.637   8.096   1.109
  365    HD1  HIS  50           HD1      HIS  50  -2.217   7.471   2.885
  366    HD2  HIS  50           HD2      HIS  50  -1.801   4.504  -0.030
  367    HE1  HIS  50           HE1      HIS  50  -3.847   5.620   3.558
  368    H    ALA  51           H        ALA  51  -1.499  10.003  -0.636
  369    HA   ALA  51           HA       ALA  51  -0.273  11.022  -2.973
  370    HB1  ALA  51           HB1      ALA  51  -1.224  12.493  -0.473
  371    HB2  ALA  51           HB2      ALA  51  -0.932  13.229  -2.057
  372    HB3  ALA  51           HB3      ALA  51  -2.233  12.043  -1.869
  373    H    ASN  52           H        ASN  52   1.019  10.837   0.206
  374    HA   ASN  52           HA       ASN  52   3.483  12.390  -0.563
  375    HB2  ASN  52           HB2      ASN  52   2.464  11.925   2.237
  376    HB3  ASN  52           HB3      ASN  52   3.672  13.086   1.730
  377   HD21  ASN  52          HD21      ASN  52   1.317  13.462   3.368
  378   HD22  ASN  52          HD22      ASN  52   0.402  14.742   2.581
  379    H    GLY  53           H        GLY  53   5.503  11.710   0.399
  380    HA2  GLY  53           HA2      GLY  53   5.725   8.827   1.128
  381    HA3  GLY  53           HA3      GLY  53   7.029   9.909   0.615
  382    H    SER  54           H        SER  54   4.901   9.033   3.315
  383    HA   SER  54           HA       SER  54   7.012   9.235   5.233
  384    HB2  SER  54           HB2      SER  54   6.600  11.682   4.964
  385    HB3  SER  54           HB3      SER  54   4.942  11.431   5.526
  386    HG   SER  54           HG       SER  54   6.454  12.033   7.185
  387    H    CYS  55           H        CYS  55   6.289   7.124   5.746
  388    HA   CYS  55           HA       CYS  55   3.753   6.280   6.334
  389    HB2  CYS  55           HB2      CYS  55   6.463   5.311   7.306
  390    HB3  CYS  55           HB3      CYS  55   5.001   4.349   7.244
  391    H    GLN  56           H        GLN  56   4.544   8.688   8.214
  392    HA   GLN  56           HA       GLN  56   4.583   7.278  10.841
  393    HB2  GLN  56           HB2      GLN  56   5.532  10.015   9.971
  394    HB3  GLN  56           HB3      GLN  56   5.394   9.582  11.674
  395    HG2  GLN  56           HG2      GLN  56   7.034   7.885   9.741
  396    HG3  GLN  56           HG3      GLN  56   7.685   9.304  10.545
  397   HE21  GLN  56          HE21      GLN  56   8.889   8.768  12.371
  398   HE22  GLN  56          HE22      GLN  56   8.470   7.436  13.432
  399    HA   PRO  57           HA       PRO  57   0.645   9.123  12.040
  400    HB2  PRO  57           HB2      PRO  57   0.565   8.408  14.648
  401    HB3  PRO  57           HB3      PRO  57   0.541   7.180  13.359
  402    HG2  PRO  57           HG2      PRO  57   2.922   8.120  14.976
  403    HG3  PRO  57           HG3      PRO  57   2.396   6.436  14.651
  404    HD2  PRO  57           HD2      PRO  57   4.315   7.729  13.163
  405    HD3  PRO  57           HD3      PRO  57   3.218   6.495  12.467
  406    H    ALA  58           H        ALA  58  -0.232  10.841  13.327
  407    HA   ALA  58           HA       ALA  58   1.646  12.575  14.849
  408    HB1  ALA  58           HB1      ALA  58  -1.318  12.891  14.205
  409    HB2  ALA  58           HB2      ALA  58  -0.282  14.097  14.995
  410    HB3  ALA  58           HB3      ALA  58   0.007  13.648  13.304
  411    H    ILE  59           H        ILE  59   0.823  13.240  17.064
  412    HA   ILE  59           HA       ILE  59  -0.267  10.856  18.565
  413    HB   ILE  59           HB       ILE  59   1.633  13.018  19.526
  414   HG12  ILE  59          HG12      ILE  59   2.867  11.576  18.055
  415   HG13  ILE  59          HG13      ILE  59   3.328  11.258  19.714
  416   HG21  ILE  59          HG21      ILE  59   0.527  10.570  20.964
  417   HG22  ILE  59          HG22      ILE  59   1.834  11.612  21.566
  418   HG23  ILE  59          HG23      ILE  59   0.212  12.271  21.355
  419   HD11  ILE  59          HD11      ILE  59   1.510   9.507  18.000
  420   HD12  ILE  59          HD12      ILE  59   3.182   9.174  18.465
  421   HD13  ILE  59          HD13      ILE  59   1.917   9.187  19.703
  422    H    LYS  60           H        LYS  60  -2.250  11.092  19.270
  423    HA   LYS  60           HA       LYS  60  -3.359  13.710  20.084
  424    HB2  LYS  60           HB2      LYS  60  -3.816  12.494  17.452
  425    HB3  LYS  60           HB3      LYS  60  -5.290  12.442  18.377
  426    HG2  LYS  60           HG2      LYS  60  -5.570  14.420  17.348
  427    HG3  LYS  60           HG3      LYS  60  -4.846  14.996  18.844
  428    HD2  LYS  60           HD2      LYS  60  -2.669  15.287  17.688
  429    HD3  LYS  60           HD3      LYS  60  -3.330  14.510  16.229
  430    HE2  LYS  60           HE2      LYS  60  -5.138  16.308  16.220
  431    HE3  LYS  60           HE3      LYS  60  -4.222  17.171  17.453
  432    HZ1  LYS  60           HZ1      LYS  60  -3.112  16.420  14.797
  433    HZ2  LYS  60           HZ2      LYS  60  -3.862  17.848  15.103
  434    HZ3  LYS  60           HZ3      LYS  60  -2.457  17.504  15.869
  435    H    ASP  61           H        ASP  61  -5.220  13.504  21.423
  436    HA   ASP  61           HA       ASP  61  -6.448  12.584  23.085
  437    HB2  ASP  61           HB2      ASP  61  -7.681  12.138  20.947
  438    HB3  ASP  61           HB3      ASP  61  -7.062  10.484  20.977
  439    H    GLY  62           H        GLY  62  -3.728  11.731  23.362
  440    HA2  GLY  62           HA2      GLY  62  -2.552  10.391  24.854
  441    HA3  GLY  62           HA3      GLY  62  -4.052   9.508  25.216
  442    H    GLN  63           H        GLN  63  -3.489   9.478  21.855
  443    HA   GLN  63           HA       GLN  63  -1.858   7.018  21.872
  444    HB2  GLN  63           HB2      GLN  63  -3.527   5.690  20.761
  445    HB3  GLN  63           HB3      GLN  63  -4.188   6.317  22.256
  446    HG2  GLN  63           HG2      GLN  63  -5.057   8.252  20.504
  447    HG3  GLN  63           HG3      GLN  63  -5.010   6.860  19.436
  448   HE21  GLN  63          HE21      GLN  63  -6.654   8.399  22.164
  449   HE22  GLN  63          HE22      GLN  63  -7.949   7.229  22.230
  450    H    ALA  64           H        ALA  64  -2.414   6.403  19.067
  451    HA   ALA  64           HA       ALA  64  -1.060   8.748  17.808
  452    HB1  ALA  64           HB1      ALA  64  -0.253   5.822  17.725
  453    HB2  ALA  64           HB2      ALA  64   0.552   7.142  16.850
  454    HB3  ALA  64           HB3      ALA  64   0.579   7.106  18.621
  455    H    VAL  65           H        VAL  65  -1.484   9.188  15.759
  456    HA   VAL  65           HA       VAL  65  -3.879   8.019  14.574
  457    HB   VAL  65           HB       VAL  65  -2.185  10.297  13.475
  458   HG11  VAL  65          HG11      VAL  65  -5.144   9.569  13.082
  459   HG12  VAL  65          HG12      VAL  65  -4.339  11.005  12.416
  460   HG13  VAL  65          HG13      VAL  65  -3.890   9.402  11.843
  461   HG21  VAL  65          HG21      VAL  65  -2.883  10.882  15.769
  462   HG22  VAL  65          HG22      VAL  65  -3.816  11.809  14.601
  463   HG23  VAL  65          HG23      VAL  65  -4.553  10.406  15.405
  464    H    ALA  66           H        ALA  66  -2.495   5.968  14.468
  465    HA   ALA  66           HA       ALA  66  -1.549   4.249  13.254
  466    HB1  ALA  66           HB1      ALA  66  -3.420   5.537  11.227
  467    HB2  ALA  66           HB2      ALA  66  -2.822   3.862  11.173
  468    HB3  ALA  66           HB3      ALA  66  -3.855   4.398  12.513
  469    H    ALA  67           H        ALA  67  -1.684   6.344  10.461
  470    HA   ALA  67           HA       ALA  67   1.120   6.865  10.190
  471    HB1  ALA  67           HB1      ALA  67  -0.105   4.782   8.323
  472    HB2  ALA  67           HB2      ALA  67   1.433   5.625   8.038
  473    HB3  ALA  67           HB3      ALA  67   1.264   4.555   9.436
  474    H    GLU  68           H        GLU  68   0.263   8.977  10.141
  475    HA   GLU  68           HA       GLU  68  -2.072   9.639   8.488
  476    HB2  GLU  68           HB2      GLU  68  -1.674  10.456  10.892
  477    HB3  GLU  68           HB3      GLU  68  -0.395  11.483  10.246
  478    HG2  GLU  68           HG2      GLU  68  -2.282  12.354   8.610
  479    HG3  GLU  68           HG3      GLU  68  -3.388  11.620   9.762
  480    H    ALA  69           H        ALA  69   1.400  10.594   8.667
  481    HA   ALA  69           HA       ALA  69   1.096  12.847   6.991
  482    HB1  ALA  69           HB1      ALA  69   3.583  11.254   7.745
  483    HB2  ALA  69           HB2      ALA  69   3.568  12.906   7.084
  484    HB3  ALA  69           HB3      ALA  69   2.853  12.580   8.676
  485    H    ALA  70           H        ALA  70   1.239   9.610   5.979
  486    HA   ALA  70           HA       ALA  70   2.422   9.953   3.376
  487    HB1  ALA  70           HB1      ALA  70   0.559   7.805   4.471
  488    HB2  ALA  70           HB2      ALA  70   1.564   7.679   3.008
  489    HB3  ALA  70           HB3      ALA  70   2.336   7.798   4.599
  490    H    GLY  71           H        GLY  71  -0.862  10.643   4.534
  491    HA2  GLY  71           HA2      GLY  71  -2.249  11.997   2.991
  492    HA3  GLY  71           HA3      GLY  71  -1.709  11.022   1.659
  493    H    GLY  72           H        GLY  72  -4.147  11.116   1.439
  494    HA2  GLY  72           HA2      GLY  72  -5.572   8.801   2.665
  495    HA3  GLY  72           HA3      GLY  72  -6.212   9.962   1.477
  496    H    HIS  73           H        HIS  73  -6.892   8.224   0.078
  497    HA   HIS  73           HA       HIS  73  -5.016   6.196  -0.919
  498    HB2  HIS  73           HB2      HIS  73  -7.877   6.969  -1.558
  499    HB3  HIS  73           HB3      HIS  73  -7.012   5.784  -2.520
  500    HD2  HIS  73           HD2      HIS  73  -6.715   5.632   1.324
  501    HE1  HIS  73           HE1      HIS  73  -8.969   2.257   0.039
  502    HE2  HIS  73           HE2      HIS  73  -7.839   3.414   2.030
  503    H    LEU  74           H        LEU  74  -4.038   8.848  -1.382
  504    HA   LEU  74           HA       LEU  74  -3.072  10.171  -2.949
  505    HB2  LEU  74           HB2      LEU  74  -2.544   7.639  -3.664
  506    HB3  LEU  74           HB3      LEU  74  -3.427   8.041  -5.083
  507    HG   LEU  74           HG       LEU  74  -0.797   8.988  -4.034
  508   HD11  LEU  74          HD11      LEU  74  -1.605   8.459  -6.904
  509   HD12  LEU  74          HD12      LEU  74   0.011   8.419  -6.150
  510   HD13  LEU  74          HD13      LEU  74  -1.193   7.160  -5.778
  511   HD21  LEU  74          HD21      LEU  74  -1.845  11.171  -4.514
  512   HD22  LEU  74          HD22      LEU  74  -0.510  10.725  -5.589
  513   HD23  LEU  74          HD23      LEU  74  -2.194  10.609  -6.169
  514    H    ASP  75           H        ASP  75  -5.504  10.872  -2.405
  515    HA   ASP  75           HA       ASP  75  -7.256  10.805  -4.789
  516    HB2  ASP  75           HB2      ASP  75  -9.013  10.230  -3.141
  517    HB3  ASP  75           HB3      ASP  75  -7.702   9.073  -3.219
  518    HA   PRO  76           HA       PRO  76  -7.660  15.215  -3.037
  519    HB2  PRO  76           HB2      PRO  76  -6.370  16.743  -4.894
  520    HB3  PRO  76           HB3      PRO  76  -5.533  15.998  -3.502
  521    HG2  PRO  76           HG2      PRO  76  -5.726  14.937  -6.346
  522    HG3  PRO  76           HG3      PRO  76  -4.255  15.127  -5.341
  523    HD2  PRO  76           HD2      PRO  76  -5.570  12.747  -5.537
  524    HD3  PRO  76           HD3      PRO  76  -4.809  13.275  -4.005
  525    H    GLN  77           H        GLN  77  -8.053  13.671  -6.196
  526    HA   GLN  77           HA       GLN  77 -10.695  14.699  -6.536
  527    HB2  GLN  77           HB2      GLN  77 -10.361  15.852  -8.685
  528    HB3  GLN  77           HB3      GLN  77  -9.635  16.710  -7.334
  529    HG2  GLN  77           HG2      GLN  77  -7.389  15.823  -7.981
  530    HG3  GLN  77           HG3      GLN  77  -8.126  14.988  -9.351
  531   HE21  GLN  77          HE21      GLN  77  -6.175  16.550 -10.172
  532   HE22  GLN  77          HE22      GLN  77  -6.782  18.075 -10.787
  533    H    ASN  78           H        ASN  78 -11.847  13.493  -7.925
  534    HA   ASN  78           HA       ASN  78 -11.395  12.234 -10.216
  535    HB2  ASN  78           HB2      ASN  78 -10.054  10.509  -8.229
  536    HB3  ASN  78           HB3      ASN  78 -11.325   9.662  -9.063
  537   HD21  ASN  78          HD21      ASN  78  -8.446  11.668  -9.710
  538   HD22  ASN  78          HD22      ASN  78  -8.092  10.905 -11.269
  539    H    THR  79           H        THR  79 -13.102  12.287  -7.286
  540    HA   THR  79           HA       THR  79 -15.550  12.288  -7.423
  541    HB   THR  79           HB       THR  79 -15.783  10.724  -9.350
  542    HG1  THR  79           HG1      THR  79 -17.113  10.345  -6.924
  543   HG21  THR  79          HG21      THR  79 -15.467   8.516  -7.248
  544   HG22  THR  79          HG22      THR  79 -15.919   8.328  -8.951
  545   HG23  THR  79          HG23      THR  79 -14.283   8.849  -8.529
  546    H    GLY  80           H        GLY  80 -13.000  11.040  -5.793
  547    HA2  GLY  80           HA2      GLY  80 -12.707  10.900  -3.523
  548    HA3  GLY  80           HA3      GLY  80 -14.445  11.199  -3.324
  549    H    LYS  81           H        LYS  81 -15.063   8.658  -4.913
  550    HA   LYS  81           HA       LYS  81 -14.946   6.882  -2.578
  551    HB2  LYS  81           HB2      LYS  81 -16.394   6.583  -5.238
  552    HB3  LYS  81           HB3      LYS  81 -16.549   5.495  -3.850
  553    HG2  LYS  81           HG2      LYS  81 -17.186   7.551  -2.453
  554    HG3  LYS  81           HG3      LYS  81 -17.336   8.433  -3.979
  555    HD2  LYS  81           HD2      LYS  81 -19.082   6.819  -4.725
  556    HD3  LYS  81           HD3      LYS  81 -18.909   5.945  -3.181
  557    HE2  LYS  81           HE2      LYS  81 -19.434   8.129  -1.984
  558    HE3  LYS  81           HE3      LYS  81 -19.774   8.852  -3.560
  559    HZ1  LYS  81           HZ1      LYS  81 -21.263   6.611  -2.310
  560    HZ2  LYS  81           HZ2      LYS  81 -21.785   8.130  -2.549
  561    HZ3  LYS  81           HZ3      LYS  81 -21.543   7.168  -3.845
  562    H    HIS  82           H        HIS  82 -14.793   4.404  -3.114
  563    HA   HIS  82           HA       HIS  82 -12.002   4.017  -4.117
  564    HB2  HIS  82           HB2      HIS  82 -12.339   3.734  -1.695
  565    HB3  HIS  82           HB3      HIS  82 -13.617   2.566  -1.985
  566    HD2  HIS  82           HD2      HIS  82 -12.903   0.088  -2.053
  567    HE1  HIS  82           HE1      HIS  82  -8.754   0.436  -2.844
  568    HE2  HIS  82           HE2      HIS  82 -10.646  -1.165  -2.334
  569    H    GLU  83           H        GLU  83 -11.450   2.240  -5.412
  570    HA   GLU  83           HA       GLU  83 -13.311   0.146  -6.025
  571    HB2  GLU  83           HB2      GLU  83 -13.815   0.523  -8.238
  572    HB3  GLU  83           HB3      GLU  83 -13.994   2.100  -7.542
  573    HG2  GLU  83           HG2      GLU  83 -12.844   2.702  -9.412
  574    HG3  GLU  83           HG3      GLU  83 -11.488   2.482  -8.326
  575    H    GLY  84           H        GLY  84 -12.020  -0.941  -8.235
  576    HA2  GLY  84           HA2      GLY  84  -9.161  -0.994  -7.825
  577    HA3  GLY  84           HA3      GLY  84  -9.926  -2.477  -7.289
  578    HA   PRO  85           HA       PRO  85  -9.944  -3.912 -11.357
  579    HB2  PRO  85           HB2      PRO  85 -12.006  -5.620 -11.534
  580    HB3  PRO  85           HB3      PRO  85 -10.916  -5.651 -10.115
  581    HG2  PRO  85           HG2      PRO  85 -13.633  -4.302 -10.345
  582    HG3  PRO  85           HG3      PRO  85 -13.044  -5.390  -9.052
  583    HD2  PRO  85           HD2      PRO  85 -12.938  -2.613  -8.941
  584    HD3  PRO  85           HD3      PRO  85 -11.811  -3.694  -8.065
  585    H    GLU  86           H        GLU  86 -12.762  -1.794 -11.318
  586    HA   GLU  86           HA       GLU  86 -13.088  -1.403 -14.045
  587    HB2  GLU  86           HB2      GLU  86 -14.999  -2.766 -14.740
  588    HB3  GLU  86           HB3      GLU  86 -13.600  -3.750 -14.459
  589    HG2  GLU  86           HG2      GLU  86 -14.496  -4.718 -12.492
  590    HG3  GLU  86           HG3      GLU  86 -15.673  -3.418 -12.267
  591    H    GLY  87           H        GLY  87 -13.616  -0.275 -11.253
  592    HA2  GLY  87           HA2      GLY  87 -16.431   0.710 -11.558
  593    HA3  GLY  87           HA3      GLY  87 -15.466   0.679 -10.066
  594    H    GLN  88           H        GLN  88 -15.756   2.884  -9.663
  595    HA   GLN  88           HA       GLN  88 -14.025   4.706 -11.241
  596    HB2  GLN  88           HB2      GLN  88 -16.812   5.424 -10.241
  597    HB3  GLN  88           HB3      GLN  88 -15.713   6.496 -11.093
  598    HG2  GLN  88           HG2      GLN  88 -16.919   3.995 -12.387
  599    HG3  GLN  88           HG3      GLN  88 -17.712   5.553 -12.354
  600   HE21  GLN  88          HE21      GLN  88 -14.434   4.226 -13.363
  601   HE22  GLN  88          HE22      GLN  88 -14.320   5.342 -14.704
  602    H    GLY  89           H        GLY  89 -12.771   5.982  -9.850
  603    HA2  GLY  89           HA2      GLY  89 -13.298   6.800  -7.248
  604    HA3  GLY  89           HA3      GLY  89 -12.762   5.140  -7.090
  605    H    HIS  90           H        HIS  90 -10.993   5.992  -5.854
  606    HA   HIS  90           HA       HIS  90  -9.097   7.849  -6.801
  607    HB2  HIS  90           HB2      HIS  90  -8.038   5.653  -5.084
  608    HB3  HIS  90           HB3      HIS  90  -7.844   7.376  -4.957
  609    HD2  HIS  90           HD2      HIS  90 -10.304   8.667  -4.099
  610    HE1  HIS  90           HE1      HIS  90 -11.049   5.591  -1.279
  611    HE2  HIS  90           HE2      HIS  90 -11.589   7.992  -1.973
  612    H    LEU  91           H        LEU  91  -7.319   7.768  -8.123
  613    HA   LEU  91           HA       LEU  91  -6.656   5.332  -9.550
  614    HB2  LEU  91           HB2      LEU  91  -5.135   6.592 -10.795
  615    HB3  LEU  91           HB3      LEU  91  -6.562   7.564 -10.571
  616    HG   LEU  91           HG       LEU  91  -4.751   9.014 -10.511
  617   HD11  LEU  91          HD11      LEU  91  -5.413   8.637  -7.571
  618   HD12  LEU  91          HD12      LEU  91  -4.806  10.103  -8.352
  619   HD13  LEU  91          HD13      LEU  91  -6.425   9.507  -8.754
  620   HD21  LEU  91          HD21      LEU  91  -2.955   7.349 -10.092
  621   HD22  LEU  91          HD22      LEU  91  -2.753   8.870  -9.209
  622   HD23  LEU  91          HD23      LEU  91  -3.318   7.432  -8.352
  623    H    GLY  92           H        GLY  92  -5.746   6.401  -6.441
  624    HA2  GLY  92           HA2      GLY  92  -3.132   5.123  -6.375
  625    HA3  GLY  92           HA3      GLY  92  -4.035   5.805  -5.004
  626    H    ASP  93           H        ASP  93  -5.804   3.426  -6.818
  627    HA   ASP  93           HA       ASP  93  -5.303   1.420  -4.668
  628    HB2  ASP  93           HB2      ASP  93  -7.732   1.845  -6.448
  629    HB3  ASP  93           HB3      ASP  93  -7.575   0.610  -5.205
  630    H    LEU  94           H        LEU  94  -4.557  -0.570  -5.122
  631    HA   LEU  94           HA       LEU  94  -3.958  -1.370  -7.932
  632    HB2  LEU  94           HB2      LEU  94  -2.037  -1.495  -5.556
  633    HB3  LEU  94           HB3      LEU  94  -1.685  -1.883  -7.185
  634    HG   LEU  94           HG       LEU  94  -2.382   0.686  -7.605
  635   HD11  LEU  94          HD11      LEU  94  -1.190   0.711  -4.827
  636   HD12  LEU  94          HD12      LEU  94  -1.473   2.122  -5.881
  637   HD13  LEU  94          HD13      LEU  94  -2.839   1.194  -5.275
  638   HD21  LEU  94          HD21      LEU  94  -0.171  -0.488  -8.124
  639   HD22  LEU  94          HD22      LEU  94   0.005   1.195  -7.596
  640   HD23  LEU  94          HD23      LEU  94   0.309  -0.128  -6.453
  641    HA   PRO  95           HA       PRO  95  -5.381  -5.311  -6.770
  642    HB2  PRO  95           HB2      PRO  95  -3.880  -7.216  -7.990
  643    HB3  PRO  95           HB3      PRO  95  -4.787  -5.975  -8.913
  644    HG2  PRO  95           HG2      PRO  95  -1.852  -5.981  -8.169
  645    HG3  PRO  95           HG3      PRO  95  -2.592  -5.609  -9.758
  646    HD2  PRO  95           HD2      PRO  95  -1.833  -3.742  -7.899
  647    HD3  PRO  95           HD3      PRO  95  -3.160  -3.440  -9.072
  648    H    VAL  96           H        VAL  96  -5.312  -7.137  -5.428
  649    HA   VAL  96           HA       VAL  96  -4.086  -6.617  -3.011
  650    HB   VAL  96           HB       VAL  96  -5.190  -9.339  -3.773
  651   HG11  VAL  96          HG11      VAL  96  -5.193  -7.882  -1.133
  652   HG12  VAL  96          HG12      VAL  96  -5.862  -9.472  -1.443
  653   HG13  VAL  96          HG13      VAL  96  -4.110  -9.239  -1.546
  654   HG21  VAL  96          HG21      VAL  96  -6.883  -7.694  -4.429
  655   HG22  VAL  96          HG22      VAL  96  -7.379  -8.534  -2.953
  656   HG23  VAL  96          HG23      VAL  96  -6.724  -6.883  -2.850
  657    H    LEU  97           H        LEU  97  -2.277  -7.078  -2.027
  658    HA   LEU  97           HA       LEU  97  -0.128  -8.747  -3.080
  659    HB2  LEU  97           HB2      LEU  97   0.049  -6.503  -1.892
  660    HB3  LEU  97           HB3      LEU  97  -0.512  -7.258  -0.449
  661    HG   LEU  97           HG       LEU  97   1.531  -7.589   0.164
  662   HD11  LEU  97          HD11      LEU  97   2.004  -9.323  -2.310
  663   HD12  LEU  97          HD12      LEU  97   3.083  -9.222  -0.906
  664   HD13  LEU  97          HD13      LEU  97   1.471  -9.903  -0.708
  665   HD21  LEU  97          HD21      LEU  97   2.141  -5.729  -1.169
  666   HD22  LEU  97          HD22      LEU  97   3.482  -6.891  -1.085
  667   HD23  LEU  97          HD23      LEU  97   2.496  -6.784  -2.567
  668    H    VAL  98           H        VAL  98  -1.402 -10.700  -3.190
  669    HA   VAL  98           HA       VAL  98  -2.314 -12.152  -0.864
  670    HB   VAL  98           HB       VAL  98  -1.351 -13.204  -3.557
  671   HG11  VAL  98          HG11      VAL  98  -2.931 -14.584  -1.331
  672   HG12  VAL  98          HG12      VAL  98  -2.718 -15.231  -2.973
  673   HG13  VAL  98          HG13      VAL  98  -1.315 -15.037  -1.924
  674   HG21  VAL  98          HG21      VAL  98  -3.303 -11.705  -3.783
  675   HG22  VAL  98          HG22      VAL  98  -3.771 -13.379  -4.080
  676   HG23  VAL  98          HG23      VAL  98  -4.165 -12.617  -2.526
  677    H    VAL  99           H        VAL  99  -1.146 -13.651   0.453
  678    HA   VAL  99           HA       VAL  99   1.854 -13.551   0.344
  679    HB   VAL  99           HB       VAL  99   0.083 -13.593   2.824
  680   HG11  VAL  99          HG11      VAL  99   2.986 -12.802   2.462
  681   HG12  VAL  99          HG12      VAL  99   2.063 -12.654   3.972
  682   HG13  VAL  99          HG13      VAL  99   2.411 -14.266   3.287
  683   HG21  VAL  99          HG21      VAL  99  -0.414 -11.500   1.752
  684   HG22  VAL  99          HG22      VAL  99   0.642 -11.221   3.143
  685   HG23  VAL  99          HG23      VAL  99   1.320 -11.159   1.498
  686    H    ASN 100           H        ASN 100   2.929 -15.522   1.212
  687    HA   ASN 100           HA       ASN 100   1.193 -17.902   0.892
  688    HB2  ASN 100           HB2      ASN 100   2.864 -18.800  -0.190
  689    HB3  ASN 100           HB3      ASN 100   3.816 -17.341   0.012
  690   HD21  ASN 100          HD21      ASN 100   5.460 -17.310   1.578
  691   HD22  ASN 100          HD22      ASN 100   5.996 -18.801   2.382
  692    H    ASN 101           H        ASN 101   0.898 -19.382   2.258
  693    HA   ASN 101           HA       ASN 101   0.191 -19.592   4.682
  694    HB2  ASN 101           HB2      ASN 101   2.135 -21.761   3.912
  695    HB3  ASN 101           HB3      ASN 101   0.512 -21.892   4.571
  696   HD21  ASN 101          HD21      ASN 101   2.423 -21.203   1.608
  697   HD22  ASN 101          HD22      ASN 101   1.086 -21.462   0.507
  698    H    ASP 102           H        ASP 102   3.689 -19.685   4.110
  699    HA   ASP 102           HA       ASP 102   4.433 -20.409   6.820
  700    HB2  ASP 102           HB2      ASP 102   5.771 -20.970   4.807
  701    HB3  ASP 102           HB3      ASP 102   6.100 -19.253   4.547
  702    H    GLY 103           H        GLY 103   3.852 -17.377   5.204
  703    HA2  GLY 103           HA2      GLY 103   3.579 -15.305   6.442
  704    HA3  GLY 103           HA3      GLY 103   4.934 -15.763   7.501
  705    H    ILE 104           H        ILE 104   5.103 -16.311   4.042
  706    HA   ILE 104           HA       ILE 104   6.996 -14.022   3.721
  707    HB   ILE 104           HB       ILE 104   7.254 -16.837   2.568
  708   HG12  ILE 104          HG12      ILE 104   9.256 -15.580   4.446
  709   HG13  ILE 104          HG13      ILE 104   7.930 -16.562   5.037
  710   HG21  ILE 104          HG21      ILE 104   9.226 -14.552   2.206
  711   HG22  ILE 104          HG22      ILE 104   9.347 -16.182   1.532
  712   HG23  ILE 104          HG23      ILE 104   8.085 -15.116   0.964
  713   HD11  ILE 104          HD11      ILE 104  10.145 -17.463   3.156
  714   HD12  ILE 104          HD12      ILE 104   9.915 -17.916   4.847
  715   HD13  ILE 104          HD13      ILE 104   8.747 -18.461   3.629
  716    H    ALA 105           H        ALA 105   6.735 -12.790   1.938
  717    HA   ALA 105           HA       ALA 105   4.659 -13.558  -0.087
  718    HB1  ALA 105           HB1      ALA 105   5.749 -10.816   0.698
  719    HB2  ALA 105           HB2      ALA 105   4.568 -11.133  -0.594
  720    HB3  ALA 105           HB3      ALA 105   4.140 -11.456   1.090
  721    H    THR 106           H        THR 106   5.372 -14.005  -2.111
  722    HA   THR 106           HA       THR 106   7.996 -13.046  -3.087
  723    HB   THR 106           HB       THR 106   8.464 -15.004  -1.673
  724    HG1  THR 106           HG1      THR 106   8.845 -15.046  -4.441
  725   HG21  THR 106          HG21      THR 106   6.913 -16.592  -3.773
  726   HG22  THR 106          HG22      THR 106   7.917 -17.256  -2.471
  727   HG23  THR 106          HG23      THR 106   6.434 -16.375  -2.073
  728    H    GLU 107           H        GLU 107   4.888 -13.293  -4.040
  729    HA   GLU 107           HA       GLU 107   5.489 -14.308  -6.772
  730    HB2  GLU 107           HB2      GLU 107   2.947 -13.995  -5.176
  731    HB3  GLU 107           HB3      GLU 107   2.884 -14.058  -6.930
  732    HG2  GLU 107           HG2      GLU 107   4.252 -16.204  -5.248
  733    HG3  GLU 107           HG3      GLU 107   2.551 -16.264  -5.708
  734    HA   PRO 108           HA       PRO 108   5.369  -9.991  -8.109
  735    HB2  PRO 108           HB2      PRO 108   5.255 -10.324 -10.811
  736    HB3  PRO 108           HB3      PRO 108   6.722 -10.666  -9.850
  737    HG2  PRO 108           HG2      PRO 108   4.610 -12.639 -10.784
  738    HG3  PRO 108           HG3      PRO 108   6.392 -12.774 -10.934
  739    HD2  PRO 108           HD2      PRO 108   5.026 -13.968  -8.895
  740    HD3  PRO 108           HD3      PRO 108   6.641 -13.252  -8.632
  741    H    VAL 109           H        VAL 109   3.854  -8.485  -8.643
  742    HA   VAL 109           HA       VAL 109   1.434  -9.217 -10.178
  743    HB   VAL 109           HB       VAL 109  -0.058  -7.814  -8.850
  744   HG11  VAL 109          HG11      VAL 109   1.115 -10.038  -7.132
  745   HG12  VAL 109          HG12      VAL 109  -0.516  -9.349  -7.025
  746   HG13  VAL 109          HG13      VAL 109  -0.040 -10.260  -8.468
  747   HG21  VAL 109          HG21      VAL 109   1.525  -6.327  -7.716
  748   HG22  VAL 109          HG22      VAL 109   0.474  -7.128  -6.546
  749   HG23  VAL 109          HG23      VAL 109   2.145  -7.689  -6.748
  750    H    THR 110           H        THR 110   0.442  -7.236 -11.225
  751    HA   THR 110           HA       THR 110   2.405  -4.977 -11.493
  752    HB   THR 110           HB       THR 110   1.046  -6.214 -13.913
  753    HG1  THR 110           HG1      THR 110   2.207  -7.887 -13.098
  754   HG21  THR 110          HG21      THR 110   3.755  -4.845 -13.741
  755   HG22  THR 110          HG22      THR 110   2.727  -5.100 -15.159
  756   HG23  THR 110          HG23      THR 110   2.262  -3.923 -13.922
  757    H    ALA 111           H        ALA 111   1.507  -3.016 -11.588
  758    HA   ALA 111           HA       ALA 111  -1.420  -2.809 -12.200
  759    HB1  ALA 111           HB1      ALA 111   0.337  -1.071 -10.442
  760    HB2  ALA 111           HB2      ALA 111  -1.396  -0.827 -10.755
  761    HB3  ALA 111           HB3      ALA 111  -0.844  -2.278  -9.892
  762    HA   PRO 112           HA       PRO 112   0.157  -0.159 -15.651
  763    HB2  PRO 112           HB2      PRO 112  -1.952  -0.537 -17.352
  764    HB3  PRO 112           HB3      PRO 112  -0.624  -1.713 -17.187
  765    HG2  PRO 112           HG2      PRO 112  -3.326  -1.761 -15.812
  766    HG3  PRO 112           HG3      PRO 112  -2.517  -3.089 -16.709
  767    HD2  PRO 112           HD2      PRO 112  -2.399  -2.904 -14.010
  768    HD3  PRO 112           HD3      PRO 112  -0.989  -3.467 -14.956
  769    H    ARG 113           H        ARG 113  -1.631   0.312 -13.149
  770    HA   ARG 113           HA       ARG 113  -3.705   2.226 -13.810
  771    HB2  ARG 113           HB2      ARG 113  -3.685   0.860 -11.737
  772    HB3  ARG 113           HB3      ARG 113  -2.152   1.587 -11.264
  773    HG2  ARG 113           HG2      ARG 113  -3.701   2.658  -9.937
  774    HG3  ARG 113           HG3      ARG 113  -3.361   3.836 -11.189
  775    HD2  ARG 113           HD2      ARG 113  -5.629   4.031 -11.084
  776    HD3  ARG 113           HD3      ARG 113  -5.523   2.799 -12.348
  777    HE   ARG 113           HE       ARG 113  -5.630   1.637  -9.683
  778   HH11  ARG 113          HH11      ARG 113  -7.911   3.277 -11.929
  779   HH12  ARG 113          HH12      ARG 113  -9.224   2.278 -11.272
  780   HH21  ARG 113          HH21      ARG 113  -7.440   0.495  -9.042
  781   HH22  ARG 113          HH22      ARG 113  -8.989   0.873  -9.810
  782    H    LEU 114           H        LEU 114  -0.305   2.376 -12.918
  783    HA   LEU 114           HA       LEU 114  -0.053   5.209 -13.818
  784    HB2  LEU 114           HB2      LEU 114   1.420   3.704 -11.610
  785    HB3  LEU 114           HB3      LEU 114   2.160   5.042 -12.475
  786    HG   LEU 114           HG       LEU 114   0.364   6.573 -11.746
  787   HD11  LEU 114          HD11      LEU 114  -0.636   4.164 -10.161
  788   HD12  LEU 114          HD12      LEU 114  -1.040   5.840  -9.744
  789   HD13  LEU 114          HD13      LEU 114  -1.544   5.195 -11.300
  790   HD21  LEU 114          HD21      LEU 114   2.477   6.347 -10.492
  791   HD22  LEU 114          HD22      LEU 114   1.134   6.747  -9.416
  792   HD23  LEU 114          HD23      LEU 114   1.750   5.081  -9.481
  793    H    LYS 115           H        LYS 115   1.912   5.527 -15.070
  794    HA   LYS 115           HA       LYS 115   2.446   3.106 -16.756
  795    HB2  LYS 115           HB2      LYS 115   2.053   6.034 -17.336
  796    HB3  LYS 115           HB3      LYS 115   3.236   5.161 -18.306
  797    HG2  LYS 115           HG2      LYS 115   1.115   5.131 -19.438
  798    HG3  LYS 115           HG3      LYS 115   1.585   3.501 -18.980
  799    HD2  LYS 115           HD2      LYS 115  -0.008   3.544 -17.086
  800    HD3  LYS 115           HD3      LYS 115  -0.496   5.194 -17.506
  801    HE2  LYS 115           HE2      LYS 115  -0.666   2.833 -19.432
  802    HE3  LYS 115           HE3      LYS 115  -1.977   3.215 -18.313
  803    HZ1  LYS 115           HZ1      LYS 115  -0.972   5.311 -20.129
  804    HZ2  LYS 115           HZ2      LYS 115  -2.060   4.188 -20.684
  805    HZ3  LYS 115           HZ3      LYS 115  -2.451   5.177 -19.452
  806    H    SER 116           H        SER 116   4.152   5.454 -14.678
  807    HA   SER 116           HA       SER 116   6.449   3.636 -15.031
  808    HB2  SER 116           HB2      SER 116   7.964   4.965 -15.991
  809    HB3  SER 116           HB3      SER 116   6.539   5.682 -16.738
  810    HG   SER 116           HG       SER 116   6.949   7.490 -15.681
  811    H    LEU 117           H        LEU 117   8.260   3.964 -13.619
  812    HA   LEU 117           HA       LEU 117   7.587   4.258 -10.860
  813    HB2  LEU 117           HB2      LEU 117   9.368   2.812 -11.832
  814    HB3  LEU 117           HB3      LEU 117  10.221   4.241 -12.411
  815    HG   LEU 117           HG       LEU 117  10.642   4.939 -10.059
  816   HD11  LEU 117          HD11      LEU 117   9.438   2.224  -9.347
  817   HD12  LEU 117          HD12      LEU 117  10.284   3.309  -8.226
  818   HD13  LEU 117          HD13      LEU 117   8.740   3.803  -8.929
  819   HD21  LEU 117          HD21      LEU 117  12.292   3.612 -11.344
  820   HD22  LEU 117          HD22      LEU 117  12.347   3.210  -9.623
  821   HD23  LEU 117          HD23      LEU 117  11.545   2.109 -10.766
  822    H    ASP 118           H        ASP 118   8.708   6.527 -13.266
  823    HA   ASP 118           HA       ASP 118   9.780   8.572 -11.578
  824    HB2  ASP 118           HB2      ASP 118  10.092   7.953 -14.109
  825    HB3  ASP 118           HB3      ASP 118   8.628   8.901 -14.364
  826    H    GLU 119           H        GLU 119   6.598   7.569 -11.929
  827    HA   GLU 119           HA       GLU 119   5.336  10.187 -11.353
  828    HB2  GLU 119           HB2      GLU 119   4.142   7.407 -11.680
  829    HB3  GLU 119           HB3      GLU 119   3.243   8.925 -11.555
  830    HG2  GLU 119           HG2      GLU 119   4.347   9.732 -13.641
  831    HG3  GLU 119           HG3      GLU 119   5.170   8.177 -13.803
  832    H    VAL 120           H        VAL 120   6.687   7.575  -9.509
  833    HA   VAL 120           HA       VAL 120   4.971   8.314  -7.149
  834    HB   VAL 120           HB       VAL 120   5.326   6.129  -6.213
  835   HG11  VAL 120          HG11      VAL 120   4.318   5.909  -9.062
  836   HG12  VAL 120          HG12      VAL 120   3.954   4.819  -7.714
  837   HG13  VAL 120          HG13      VAL 120   3.385   6.501  -7.664
  838   HG21  VAL 120          HG21      VAL 120   7.574   5.606  -7.301
  839   HG22  VAL 120          HG22      VAL 120   6.389   4.290  -7.335
  840   HG23  VAL 120          HG23      VAL 120   6.673   5.248  -8.793
  841    H    LYS 121           H        LYS 121   7.825   9.205  -8.212
  842    HA   LYS 121           HA       LYS 121   9.743   8.449  -6.317
  843    HB2  LYS 121           HB2      LYS 121  11.055  10.319  -7.264
  844    HB3  LYS 121           HB3      LYS 121  10.291   9.286  -8.468
  845    HG2  LYS 121           HG2      LYS 121   8.442  11.033  -8.691
  846    HG3  LYS 121           HG3      LYS 121   9.404  12.092  -7.643
  847    HD2  LYS 121           HD2      LYS 121  11.237  12.083  -9.273
  848    HD3  LYS 121           HD3      LYS 121  10.427  10.816 -10.215
  849    HE2  LYS 121           HE2      LYS 121   8.492  12.394 -10.575
  850    HE3  LYS 121           HE3      LYS 121   9.459  13.687  -9.847
  851    HZ1  LYS 121           HZ1      LYS 121  10.283  12.064 -12.193
  852    HZ2  LYS 121           HZ2      LYS 121   9.646  13.581 -12.318
  853    HZ3  LYS 121           HZ3      LYS 121  11.098  13.357 -11.613
  854    H    ASP 122           H        ASP 122   7.184  10.610  -5.619
  855    HA   ASP 122           HA       ASP 122   8.589  11.652  -3.202
  856    HB2  ASP 122           HB2      ASP 122   7.282  13.620  -3.380
  857    HB3  ASP 122           HB3      ASP 122   7.988  13.327  -4.958
  858    H    LYS 123           H        LYS 123   6.878   9.085  -3.631
  859    HA   LYS 123           HA       LYS 123   4.629   9.681  -1.750
  860    HB2  LYS 123           HB2      LYS 123   4.689   7.703  -4.056
  861    HB3  LYS 123           HB3      LYS 123   3.315   8.099  -3.019
  862    HG2  LYS 123           HG2      LYS 123   3.611  10.531  -3.779
  863    HG3  LYS 123           HG3      LYS 123   4.729   9.885  -5.009
  864    HD2  LYS 123           HD2      LYS 123   2.974   8.513  -5.976
  865    HD3  LYS 123           HD3      LYS 123   1.873   8.945  -4.652
  866    HE2  LYS 123           HE2      LYS 123   1.301  10.221  -6.566
  867    HE3  LYS 123           HE3      LYS 123   1.921  11.300  -5.306
  868    HZ1  LYS 123           HZ1      LYS 123   3.532  10.409  -7.651
  869    HZ2  LYS 123           HZ2      LYS 123   2.823  11.879  -7.472
  870    HZ3  LYS 123           HZ3      LYS 123   4.037  11.430  -6.462
  871    H    ALA 124           H        ALA 124   3.549   7.400  -1.132
  872    HA   ALA 124           HA       ALA 124   5.587   5.425  -0.275
  873    HB1  ALA 124           HB1      ALA 124   3.372   6.569   1.492
  874    HB2  ALA 124           HB2      ALA 124   4.400   5.181   1.903
  875    HB3  ALA 124           HB3      ALA 124   5.127   6.774   1.722
  876    H    LEU 125           H        LEU 125   4.770   3.326   0.060
  877    HA   LEU 125           HA       LEU 125   2.188   2.587  -1.321
  878    HB2  LEU 125           HB2      LEU 125   4.750   1.006  -1.142
  879    HB3  LEU 125           HB3      LEU 125   3.264   0.541  -1.943
  880    HG   LEU 125           HG       LEU 125   4.026   3.136  -3.002
  881   HD11  LEU 125          HD11      LEU 125   6.257   1.067  -2.933
  882   HD12  LEU 125          HD12      LEU 125   6.252   2.542  -3.930
  883   HD13  LEU 125          HD13      LEU 125   6.258   2.668  -2.166
  884   HD21  LEU 125          HD21      LEU 125   2.729   1.433  -4.239
  885   HD22  LEU 125          HD22      LEU 125   4.121   2.057  -5.138
  886   HD23  LEU 125          HD23      LEU 125   4.207   0.453  -4.390
  887    H    MET 126           H        MET 126   0.774   1.474  -0.010
  888    HA   MET 126           HA       MET 126   1.802   0.510   2.653
  889    HB2  MET 126           HB2      MET 126  -0.834   1.852   1.956
  890    HB3  MET 126           HB3      MET 126  -0.541   0.971   3.467
  891    HG2  MET 126           HG2      MET 126   1.431   2.428   3.923
  892    HG3  MET 126           HG3      MET 126   1.065   3.363   2.484
  893    HE1  MET 126           HE1      MET 126   1.378   5.335   4.139
  894    HE2  MET 126           HE2      MET 126   0.342   5.689   5.544
  895    HE3  MET 126           HE3      MET 126   1.474   4.316   5.571
  896    H    ILE 127           H        ILE 127   1.559  -1.493   3.165
  897    HA   ILE 127           HA       ILE 127  -0.136  -3.339   1.528
  898    HB   ILE 127           HB       ILE 127   1.950  -3.892   3.680
  899   HG12  ILE 127          HG12      ILE 127   1.929  -4.340   0.655
  900   HG13  ILE 127          HG13      ILE 127   2.866  -3.122   1.501
  901   HG21  ILE 127          HG21      ILE 127   0.367  -5.875   1.974
  902   HG22  ILE 127          HG22      ILE 127   1.619  -6.282   3.169
  903   HG23  ILE 127          HG23      ILE 127   0.102  -5.593   3.711
  904   HD11  ILE 127          HD11      ILE 127   3.285  -6.131   1.618
  905   HD12  ILE 127          HD12      ILE 127   4.360  -4.898   0.948
  906   HD13  ILE 127          HD13      ILE 127   4.103  -4.979   2.703
  907    H    HIS 128           H        HIS 128  -2.130  -3.194   2.044
  908    HA   HIS 128           HA       HIS 128  -3.023  -2.256   4.643
  909    HB2  HIS 128           HB2      HIS 128  -3.928  -2.266   1.847
  910    HB3  HIS 128           HB3      HIS 128  -5.228  -2.591   2.933
  911    HD1  HIS 128           HD1      HIS 128  -5.818  -0.618   4.683
  912    HD2  HIS 128           HD2      HIS 128  -2.816   0.136   1.869
  913    HE1  HIS 128           HE1      HIS 128  -5.632   1.953   4.511
  914    H    VAL 129           H        VAL 129  -4.583  -3.216   6.005
  915    HA   VAL 129           HA       VAL 129  -3.791  -5.882   6.511
  916    HB   VAL 129           HB       VAL 129  -5.834  -4.067   7.741
  917   HG11  VAL 129          HG11      VAL 129  -5.289  -6.907   8.713
  918   HG12  VAL 129          HG12      VAL 129  -6.113  -5.643   9.651
  919   HG13  VAL 129          HG13      VAL 129  -6.855  -6.251   8.170
  920   HG21  VAL 129          HG21      VAL 129  -3.376  -3.721   8.099
  921   HG22  VAL 129          HG22      VAL 129  -4.200  -4.122   9.613
  922   HG23  VAL 129          HG23      VAL 129  -3.251  -5.355   8.763
  923    H    GLY 130           H        GLY 130  -6.683  -4.821   4.764
  924    HA2  GLY 130           HA2      GLY 130  -7.411  -7.707   4.325
  925    HA3  GLY 130           HA3      GLY 130  -8.592  -6.388   4.359
  926    H    GLY 131           H        GLY 131  -7.721  -8.347   2.217
  927    HA2  GLY 131           HA2      GLY 131  -6.995  -7.033  -0.132
  928    HA3  GLY 131           HA3      GLY 131  -8.156  -8.358  -0.020
  929    H    ASP 132           H        ASP 132  -8.175  -6.217  -1.792
  930    HA   ASP 132           HA       ASP 132  -9.249  -3.907  -0.481
  931    HB2  ASP 132           HB2      ASP 132  -7.198  -4.552  -2.209
  932    HB3  ASP 132           HB3      ASP 132  -8.308  -3.812  -3.307
  933    H    ASN 133           H        ASN 133 -10.989  -6.186  -2.093
  934    HA   ASN 133           HA       ASN 133 -12.445  -4.492  -3.956
  935    HB2  ASN 133           HB2      ASN 133 -13.518  -6.444  -4.708
  936    HB3  ASN 133           HB3      ASN 133 -11.841  -6.867  -4.412
  937   HD21  ASN 133          HD21      ASN 133 -13.313  -9.025  -4.674
  938   HD22  ASN 133          HD22      ASN 133 -13.816  -9.694  -3.134
  939    H    MET 134           H        MET 134 -12.866  -4.833  -0.657
  940    HA   MET 134           HA       MET 134 -15.818  -4.725  -0.589
  941    HB2  MET 134           HB2      MET 134 -13.671  -4.566   1.554
  942    HB3  MET 134           HB3      MET 134 -15.404  -4.453   1.892
  943    HG2  MET 134           HG2      MET 134 -15.798  -6.667   1.006
  944    HG3  MET 134           HG3      MET 134 -14.131  -6.819   0.453
  945    HE1  MET 134           HE1      MET 134 -12.149  -6.112   2.503
  946    HE2  MET 134           HE2      MET 134 -12.050  -7.528   3.558
  947    HE3  MET 134           HE3      MET 134 -12.197  -7.735   1.800
  948    H    SER 135           H        SER 135 -16.757  -2.881  -1.256
  949    HA   SER 135           HA       SER 135 -15.711  -0.237  -0.288
  950    HB2  SER 135           HB2      SER 135 -15.063  -0.999  -2.691
  951    HB3  SER 135           HB3      SER 135 -16.758  -0.677  -3.089
  952    HG   SER 135           HG       SER 135 -15.494   1.182  -3.444
  953    H    ASP 136           H        ASP 136 -18.603  -1.923  -1.739
  954    HA   ASP 136           HA       ASP 136 -20.328   0.286  -0.872
  955    HB2  ASP 136           HB2      ASP 136 -20.614  -0.946  -3.023
  956    HB3  ASP 136           HB3      ASP 136 -21.122  -2.366  -2.114
  957    H    GLN 137           H        GLN 137 -19.734   0.196   1.329
  958    HA   GLN 137           HA       GLN 137 -21.704  -0.770   3.084
  959    HB2  GLN 137           HB2      GLN 137 -20.306  -2.359   4.475
  960    HB3  GLN 137           HB3      GLN 137 -20.928  -2.973   2.975
  961    HG2  GLN 137           HG2      GLN 137 -18.405  -2.109   2.163
  962    HG3  GLN 137           HG3      GLN 137 -18.108  -2.510   3.850
  963   HE21  GLN 137          HE21      GLN 137 -19.934  -3.885   1.019
  964   HE22  GLN 137          HE22      GLN 137 -19.374  -5.529   1.325
  965    HA   PRO 138           HA       PRO 138 -20.175   2.687   5.056
  966    HB2  PRO 138           HB2      PRO 138 -20.793   2.420   7.738
  967    HB3  PRO 138           HB3      PRO 138 -22.006   2.655   6.444
  968    HG2  PRO 138           HG2      PRO 138 -21.084   0.035   7.674
  969    HG3  PRO 138           HG3      PRO 138 -22.765   0.610   7.433
  970    HD2  PRO 138           HD2      PRO 138 -21.631  -1.067   5.665
  971    HD3  PRO 138           HD3      PRO 138 -22.613   0.303   5.069
  972    H    LYS 139           H        LYS 139 -18.837  -0.261   6.527
  973    HA   LYS 139           HA       LYS 139 -16.284   1.240   6.977
  974    HB2  LYS 139           HB2      LYS 139 -17.186  -1.358   8.236
  975    HB3  LYS 139           HB3      LYS 139 -15.621  -0.594   8.474
  976    HG2  LYS 139           HG2      LYS 139 -18.291   0.642   9.297
  977    HG3  LYS 139           HG3      LYS 139 -17.269  -0.338  10.331
  978    HD2  LYS 139           HD2      LYS 139 -16.861   1.814  11.008
  979    HD3  LYS 139           HD3      LYS 139 -15.436   1.406  10.055
  980    HE2  LYS 139           HE2      LYS 139 -16.161   2.814   8.229
  981    HE3  LYS 139           HE3      LYS 139 -17.807   2.901   8.857
  982    HZ1  LYS 139           HZ1      LYS 139 -15.495   4.060  10.313
  983    HZ2  LYS 139           HZ2      LYS 139 -16.498   4.944   9.315
  984    HZ3  LYS 139           HZ3      LYS 139 -17.078   4.236  10.650
  985    HA   PRO 140           HA       PRO 140 -15.749  -1.309   3.174
  986    HB2  PRO 140           HB2      PRO 140 -14.039   0.356   1.836
  987    HB3  PRO 140           HB3      PRO 140 -15.813   0.595   1.879
  988    HG2  PRO 140           HG2      PRO 140 -13.725   1.916   3.638
  989    HG3  PRO 140           HG3      PRO 140 -15.047   2.698   2.707
  990    HD2  PRO 140           HD2      PRO 140 -15.316   2.129   5.338
  991    HD3  PRO 140           HD3      PRO 140 -16.692   1.923   4.214
  992    H    LEU 141           H        LEU 141 -13.663  -2.093   2.155
  993    HA   LEU 141           HA       LEU 141 -11.823  -3.392   2.313
  994    HB2  LEU 141           HB2      LEU 141 -10.838  -1.485   4.462
  995    HB3  LEU 141           HB3      LEU 141  -9.871  -2.570   3.475
  996    HG   LEU 141           HG       LEU 141 -11.435  -0.168   2.423
  997   HD11  LEU 141          HD11      LEU 141  -8.447  -0.584   2.841
  998   HD12  LEU 141          HD12      LEU 141  -9.209   0.826   2.071
  999   HD13  LEU 141          HD13      LEU 141  -9.514   0.487   3.781
 1000   HD21  LEU 141          HD21      LEU 141 -11.275  -1.895   0.678
 1001   HD22  LEU 141          HD22      LEU 141 -10.166  -0.568   0.322
 1002   HD23  LEU 141          HD23      LEU 141  -9.535  -2.083   1.000
 1003    H    GLY 142           H        GLY 142 -14.100  -3.581   4.588
 1004    HA2  GLY 142           HA2      GLY 142 -14.646  -5.240   6.118
 1005    HA3  GLY 142           HA3      GLY 142 -13.170  -6.113   5.634
 1006    H    GLY 143           H        GLY 143 -13.068  -2.831   6.857
 1007    HA2  GLY 143           HA2      GLY 143 -12.217  -1.994   8.925
 1008    HA3  GLY 143           HA3      GLY 143 -11.844  -3.653   9.453
 1009    H    GLY 144           H        GLY 144 -10.693  -3.789   6.457
 1010    HA2  GLY 144           HA2      GLY 144  -7.956  -3.610   7.168
 1011    HA3  GLY 144           HA3      GLY 144  -8.630  -3.899   5.544
 1012    H    GLY 145           H        GLY 145  -9.419  -0.929   7.188
 1013    HA2  GLY 145           HA2      GLY 145  -7.881   0.798   5.369
 1014    HA3  GLY 145           HA3      GLY 145  -8.837   1.304   6.789
 1015    H    THR 146           H        THR 146  -7.336  -0.826   8.405
 1016    HA   THR 146           HA       THR 146  -4.891   0.530   9.173
 1017    HB   THR 146           HB       THR 146  -4.545  -1.700  10.406
 1018    HG1  THR 146           HG1      THR 146  -6.687  -2.795  10.516
 1019   HG21  THR 146          HG21      THR 146  -7.176  -0.227  10.918
 1020   HG22  THR 146          HG22      THR 146  -6.262  -1.211  12.079
 1021   HG23  THR 146          HG23      THR 146  -5.576   0.307  11.479
 1022    H    ARG 147           H        ARG 147  -2.770  -0.449   8.995
 1023    HA   ARG 147           HA       ARG 147  -2.305  -2.086   6.578
 1024    HB2  ARG 147           HB2      ARG 147  -0.393  -0.444   6.031
 1025    HB3  ARG 147           HB3      ARG 147  -2.011  -0.106   5.475
 1026    HG2  ARG 147           HG2      ARG 147  -0.933   1.206   8.004
 1027    HG3  ARG 147           HG3      ARG 147  -0.568   1.807   6.394
 1028    HD2  ARG 147           HD2      ARG 147  -3.162   1.793   6.025
 1029    HD3  ARG 147           HD3      ARG 147  -3.251   1.766   7.793
 1030    HE   ARG 147           HE       ARG 147  -1.470   3.834   6.897
 1031   HH11  ARG 147          HH11      ARG 147  -4.962   3.201   7.044
 1032   HH12  ARG 147          HH12      ARG 147  -5.357   4.879   6.807
 1033   HH21  ARG 147          HH21      ARG 147  -2.111   6.051   6.882
 1034   HH22  ARG 147          HH22      ARG 147  -3.774   6.418   6.564
 1035    H    TYR 148           H        TYR 148  -0.571  -3.390   6.640
 1036    HA   TYR 148           HA       TYR 148   0.555  -3.879   9.338
 1037    HB2  TYR 148           HB2      TYR 148  -0.396  -5.733   7.983
 1038    HB3  TYR 148           HB3      TYR 148   0.843  -5.554   6.744
 1039    HD1  TYR 148           HD1      TYR 148   0.305  -6.485  10.317
 1040    HD2  TYR 148           HD2      TYR 148   3.019  -6.376   6.964
 1041    HE1  TYR 148           HE1      TYR 148   1.847  -8.040  11.508
 1042    HE2  TYR 148           HE2      TYR 148   4.537  -7.919   8.136
 1043    HH   TYR 148           HH       TYR 148   4.911  -9.170  10.013
 1044    H    ALA 149           H        ALA 149   1.669  -2.796   6.150
 1045    HA   ALA 149           HA       ALA 149   4.163  -1.811   7.356
 1046    HB1  ALA 149           HB1      ALA 149   4.155  -3.774   5.013
 1047    HB2  ALA 149           HB2      ALA 149   5.576  -2.922   5.652
 1048    HB3  ALA 149           HB3      ALA 149   4.743  -4.118   6.660
 1049    H    CYS 150           H        CYS 150   5.196  -0.213   6.219
 1050    HA   CYS 150           HA       CYS 150   3.860   0.923   3.824
 1051    HB2  CYS 150           HB2      CYS 150   3.100   2.138   5.798
 1052    HB3  CYS 150           HB3      CYS 150   4.767   2.405   6.300
 1053    H    GLY 151           H        GLY 151   5.157   1.915   2.437
 1054    HA2  GLY 151           HA2      GLY 151   8.143   1.558   2.576
 1055    HA3  GLY 151           HA3      GLY 151   7.141   1.127   1.192
 1056    H    VAL 152           H        VAL 152   8.158   3.923   3.072
 1057    HA   VAL 152           HA       VAL 152   7.435   5.908   1.155
 1058    HB   VAL 152           HB       VAL 152   7.988   6.515   3.404
 1059   HG11  VAL 152          HG11      VAL 152  10.895   5.786   2.842
 1060   HG12  VAL 152          HG12      VAL 152  10.265   6.573   4.300
 1061   HG13  VAL 152          HG13      VAL 152   9.797   4.908   3.930
 1062   HG21  VAL 152          HG21      VAL 152   8.326   8.158   1.533
 1063   HG22  VAL 152          HG22      VAL 152   9.235   8.502   3.016
 1064   HG23  VAL 152          HG23      VAL 152  10.063   7.811   1.605
 1065    H    ILE 153           H        ILE 153   8.417   6.838  -0.585
 1066    HA   ILE 153           HA       ILE 153  10.562   5.240  -1.915
 1067    HB   ILE 153           HB       ILE 153   8.438   7.077  -3.073
 1068   HG12  ILE 153          HG12      ILE 153   8.317   4.042  -3.247
 1069   HG13  ILE 153          HG13      ILE 153   7.576   4.870  -1.899
 1070   HG21  ILE 153          HG21      ILE 153  10.310   5.073  -4.416
 1071   HG22  ILE 153          HG22      ILE 153   8.939   5.844  -5.230
 1072   HG23  ILE 153          HG23      ILE 153  10.260   6.837  -4.656
 1073   HD11  ILE 153          HD11      ILE 153   6.813   5.069  -4.798
 1074   HD12  ILE 153          HD12      ILE 153   5.797   4.716  -3.387
 1075   HD13  ILE 153          HD13      ILE 153   6.372   6.342  -3.633
 1076    H    LYS 154           H        LYS 154  12.205   6.297  -3.163
 1077    HA   LYS 154           HA       LYS 154  12.728   9.173  -2.504
 1078    HB2  LYS 154           HB2      LYS 154  14.593   6.940  -3.420
 1079    HB3  LYS 154           HB3      LYS 154  15.061   8.627  -3.272
 1080    HG2  LYS 154           HG2      LYS 154  14.208   6.798  -0.980
 1081    HG3  LYS 154           HG3      LYS 154  15.829   7.370  -1.361
 1082    HD2  LYS 154           HD2      LYS 154  15.350   8.910   0.251
 1083    HD3  LYS 154           HD3      LYS 154  14.699   9.778  -1.133
 1084    HE2  LYS 154           HE2      LYS 154  12.528   8.213  -0.305
 1085    HE3  LYS 154           HE3      LYS 154  13.344   8.547   1.222
 1086    HZ1  LYS 154           HZ1      LYS 154  12.285  10.536  -0.705
 1087    HZ2  LYS 154           HZ2      LYS 154  11.799  10.291   0.831
 1088    HZ3  LYS 154           HZ3      LYS 154  13.283  10.941   0.536
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1  12.404   0.369 -16.330
    2    H2   ALA   1           H2       ALA   1  13.410   1.417 -17.129
    3    H3   ALA   1           H3       ALA   1  12.369   1.986 -16.003
    4    HA   ALA   1           HA       ALA   1  14.755   0.345 -15.570
    5    HB1  ALA   1           HB1      ALA   1  13.942   3.032 -14.378
    6    HB2  ALA   1           HB2      ALA   1  15.505   2.200 -14.189
    7    HB3  ALA   1           HB3      ALA   1  15.029   2.824 -15.770
    8    H    SER   2           H        SER   2  14.688   1.080 -12.667
    9    HA   SER   2           HA       SER   2  12.407  -0.375 -11.541
   10    HB2  SER   2           HB2      SER   2  15.086  -1.637 -11.077
   11    HB3  SER   2           HB3      SER   2  13.479  -2.345 -10.926
   12    HG   SER   2           HG       SER   2  13.414  -2.625 -13.175
   13    H    GLU   3           H        GLU   3  12.416  -0.312  -9.208
   14    HA   GLU   3           HA       GLU   3  14.731   0.782  -7.845
   15    HB2  GLU   3           HB2      GLU   3  13.343   2.826  -8.547
   16    HB3  GLU   3           HB3      GLU   3  12.072   2.205  -7.472
   17    HG2  GLU   3           HG2      GLU   3  13.201   3.824  -6.213
   18    HG3  GLU   3           HG3      GLU   3  13.853   2.289  -5.609
   19    H    LYS   4           H        LYS   4  15.023  -0.326  -6.073
   20    HA   LYS   4           HA       LYS   4  13.054  -2.225  -5.032
   21    HB2  LYS   4           HB2      LYS   4  15.361  -2.899  -5.460
   22    HB3  LYS   4           HB3      LYS   4  15.979  -1.469  -4.630
   23    HG2  LYS   4           HG2      LYS   4  15.115  -2.399  -2.466
   24    HG3  LYS   4           HG3      LYS   4  14.666  -3.868  -3.342
   25    HD2  LYS   4           HD2      LYS   4  16.809  -4.192  -2.216
   26    HD3  LYS   4           HD3      LYS   4  17.075  -4.190  -3.966
   27    HE2  LYS   4           HE2      LYS   4  17.832  -1.824  -3.857
   28    HE3  LYS   4           HE3      LYS   4  17.509  -1.786  -2.121
   29    HZ1  LYS   4           HZ1      LYS   4  19.507  -3.552  -3.426
   30    HZ2  LYS   4           HZ2      LYS   4  19.865  -2.159  -2.646
   31    HZ3  LYS   4           HZ3      LYS   4  19.258  -3.453  -1.823
   32    H    VAL   5           H        VAL   5  11.442  -1.391  -3.585
   33    HA   VAL   5           HA       VAL   5  12.381   0.801  -1.774
   34    HB   VAL   5           HB       VAL   5   9.596  -0.132  -2.472
   35   HG11  VAL   5          HG11      VAL   5  10.594   2.020  -0.556
   36   HG12  VAL   5          HG12      VAL   5   8.940   1.973  -1.186
   37   HG13  VAL   5          HG13      VAL   5   9.530   0.652  -0.170
   38   HG21  VAL   5          HG21      VAL   5  10.859   1.129  -4.247
   39   HG22  VAL   5          HG22      VAL   5   9.513   2.072  -3.595
   40   HG23  VAL   5          HG23      VAL   5  11.177   2.423  -3.078
   41    H    GLY   6           H        GLY   6  12.925   0.439   0.157
   42    HA2  GLY   6           HA2      GLY   6  12.517  -2.046   1.616
   43    HA3  GLY   6           HA3      GLY   6  13.307  -0.559   2.219
   44    H    MET   7           H        MET   7  10.615  -2.528   2.323
   45    HA   MET   7           HA       MET   7   8.755  -0.468   3.355
   46    HB2  MET   7           HB2      MET   7   8.348  -3.435   2.828
   47    HB3  MET   7           HB3      MET   7   7.090  -2.237   3.181
   48    HG2  MET   7           HG2      MET   7   8.140  -0.970   1.091
   49    HG3  MET   7           HG3      MET   7   8.804  -2.549   0.708
   50    HE1  MET   7           HE1      MET   7   5.890  -0.169   0.758
   51    HE2  MET   7           HE2      MET   7   4.441  -1.163   0.535
   52    HE3  MET   7           HE3      MET   7   5.330  -1.203   2.074
   53    H    ASN   8           H        ASN   8   8.205  -0.217   5.463
   54    HA   ASN   8           HA       ASN   8   9.471  -2.014   7.511
   55    HB2  ASN   8           HB2      ASN   8   9.186   0.986   7.365
   56    HB3  ASN   8           HB3      ASN   8   9.125   0.184   8.944
   57   HD21  ASN   8          HD21      ASN   8  11.096   0.145   9.964
   58   HD22  ASN   8          HD22      ASN   8  12.595  -0.223   9.100
   59    H    LEU   9           H        LEU   9   8.271  -2.669   9.252
   60    HA   LEU   9           HA       LEU   9   5.378  -2.706   9.077
   61    HB2  LEU   9           HB2      LEU   9   7.319  -3.412  11.318
   62    HB3  LEU   9           HB3      LEU   9   5.603  -3.794  11.335
   63    HG   LEU   9           HG       LEU   9   7.513  -4.861   9.196
   64   HD11  LEU   9          HD11      LEU   9   6.660  -6.153  11.815
   65   HD12  LEU   9          HD12      LEU   9   7.524  -6.971  10.498
   66   HD13  LEU   9          HD13      LEU   9   8.304  -5.634  11.359
   67   HD21  LEU   9          HD21      LEU   9   5.119  -4.918   8.569
   68   HD22  LEU   9          HD22      LEU   9   5.743  -6.549   8.849
   69   HD23  LEU   9          HD23      LEU   9   4.735  -5.762  10.083
   70    H    VAL  10           H        VAL  10   3.923  -1.365  10.199
   71    HA   VAL  10           HA       VAL  10   5.018   0.717  12.014
   72    HB   VAL  10           HB       VAL  10   3.923   2.561  11.036
   73   HG11  VAL  10          HG11      VAL  10   5.308   1.180   8.710
   74   HG12  VAL  10          HG12      VAL  10   5.190   2.919   9.032
   75   HG13  VAL  10          HG13      VAL  10   6.170   1.892  10.090
   76   HG21  VAL  10          HG21      VAL  10   1.881   1.723  10.134
   77   HG22  VAL  10          HG22      VAL  10   2.755   2.479   8.815
   78   HG23  VAL  10          HG23      VAL  10   2.734   0.703   8.944
   79    H    THR  11           H        THR  11   3.658   1.494  13.566
   80    HA   THR  11           HA       THR  11   0.895   0.557  13.845
   81    HB   THR  11           HB       THR  11   1.803  -1.551  14.185
   82    HG1  THR  11           HG1      THR  11   1.399  -0.325  16.687
   83   HG21  THR  11          HG21      THR  11   3.748  -0.378  16.230
   84   HG22  THR  11          HG22      THR  11   3.449  -2.102  15.941
   85   HG23  THR  11          HG23      THR  11   4.164  -1.109  14.665
   86    H    ALA  12           H        ALA  12   0.944   2.872  13.959
   87    HA   ALA  12           HA       ALA  12   0.074   4.629  15.071
   88    HB1  ALA  12           HB1      ALA  12   0.054   2.755  17.479
   89    HB2  ALA  12           HB2      ALA  12  -0.864   4.248  17.304
   90    HB3  ALA  12           HB3      ALA  12  -1.204   2.875  16.238
   91    H    GLN  13           H        GLN  13   2.844   3.284  16.784
   92    HA   GLN  13           HA       GLN  13   3.608   5.717  18.187
   93    HB2  GLN  13           HB2      GLN  13   5.207   3.295  17.228
   94    HB3  GLN  13           HB3      GLN  13   5.784   4.567  18.327
   95    HG2  GLN  13           HG2      GLN  13   4.717   2.057  18.970
   96    HG3  GLN  13           HG3      GLN  13   5.376   3.319  20.028
   97   HE21  GLN  13          HE21      GLN  13   2.353   2.125  18.489
   98   HE22  GLN  13          HE22      GLN  13   1.341   3.063  19.591
   99    H    GLY  14           H        GLY  14   4.226   4.352  14.985
  100    HA2  GLY  14           HA2      GLY  14   4.869   6.204  13.257
  101    HA3  GLY  14           HA3      GLY  14   6.281   6.363  14.327
  102    H    VAL  15           H        VAL  15   7.430   5.807  12.419
  103    HA   VAL  15           HA       VAL  15   7.475   3.327  11.054
  104    HB   VAL  15           HB       VAL  15   9.765   5.174  11.852
  105   HG11  VAL  15          HG11      VAL  15   9.826   2.791   9.930
  106   HG12  VAL  15          HG12      VAL  15  11.058   4.064   9.981
  107   HG13  VAL  15          HG13      VAL  15  10.837   3.043  11.385
  108   HG21  VAL  15          HG21      VAL  15   8.071   6.128  10.294
  109   HG22  VAL  15          HG22      VAL  15   9.647   5.946   9.535
  110   HG23  VAL  15          HG23      VAL  15   8.367   4.771   9.178
  111    H    GLY  16           H        GLY  16   7.831   1.296  11.662
  112    HA2  GLY  16           HA2      GLY  16   9.311   0.628  14.172
  113    HA3  GLY  16           HA3      GLY  16   8.202  -0.433  13.255
  114    H    GLN  17           H        GLN  17   9.432  -2.105  12.565
  115    HA   GLN  17           HA       GLN  17  12.120  -1.522  11.370
  116    HB2  GLN  17           HB2      GLN  17  12.926  -3.607  12.155
  117    HB3  GLN  17           HB3      GLN  17  12.365  -2.661  13.526
  118    HG2  GLN  17           HG2      GLN  17  10.636  -4.130  14.025
  119    HG3  GLN  17           HG3      GLN  17  10.405  -4.634  12.336
  120   HE21  GLN  17          HE21      GLN  17  11.994  -6.136  11.342
  121   HE22  GLN  17          HE22      GLN  17  12.869  -7.203  12.426
  122    H    SER  18           H        SER  18  12.882  -3.156   9.793
  123    HA   SER  18           HA       SER  18  10.622  -4.083   8.097
  124    HB2  SER  18           HB2      SER  18  12.104  -2.420   7.125
  125    HB3  SER  18           HB3      SER  18  13.497  -3.490   7.356
  126    HG   SER  18           HG       SER  18  11.345  -3.578   5.532
  127    H    ILE  19           H        ILE  19  10.919  -5.812   6.781
  128    HA   ILE  19           HA       ILE  19  12.232  -8.304   7.703
  129    HB   ILE  19           HB       ILE  19  10.070  -9.459   7.608
  130   HG12  ILE  19          HG12      ILE  19   8.251  -8.348   8.287
  131   HG13  ILE  19          HG13      ILE  19   8.968  -6.736   8.419
  132   HG21  ILE  19          HG21      ILE  19  10.609  -7.650   9.987
  133   HG22  ILE  19          HG22      ILE  19   9.728  -9.185   9.975
  134   HG23  ILE  19          HG23      ILE  19  11.462  -9.168   9.636
  135   HD11  ILE  19          HD11      ILE  19   8.486  -8.252   5.809
  136   HD12  ILE  19          HD12      ILE  19   7.396  -7.021   6.477
  137   HD13  ILE  19          HD13      ILE  19   9.030  -6.562   5.984
  138    H    GLY  20           H        GLY  20  11.613  -6.314   5.207
  139    HA2  GLY  20           HA2      GLY  20  12.326  -7.979   3.049
  140    HA3  GLY  20           HA3      GLY  20  10.564  -7.950   3.117
  141    H    THR  21           H        THR  21  12.455  -6.867   1.117
  142    HA   THR  21           HA       THR  21  11.351  -4.082   0.932
  143    HB   THR  21           HB       THR  21  12.984  -3.542  -0.687
  144    HG1  THR  21           HG1      THR  21  13.084  -5.918  -1.504
  145   HG21  THR  21          HG21      THR  21  14.645  -5.133   1.291
  146   HG22  THR  21          HG22      THR  21  15.000  -3.579   0.518
  147   HG23  THR  21          HG23      THR  21  13.778  -3.686   1.800
  148    H    VAL  22           H        VAL  22  10.805  -3.660  -1.473
  149    HA   VAL  22           HA       VAL  22   9.882  -6.110  -2.888
  150    HB   VAL  22           HB       VAL  22   8.257  -3.528  -2.795
  151   HG11  VAL  22          HG11      VAL  22   8.008  -6.138  -4.339
  152   HG12  VAL  22          HG12      VAL  22   6.645  -5.091  -4.107
  153   HG13  VAL  22          HG13      VAL  22   8.047  -4.487  -4.993
  154   HG21  VAL  22          HG21      VAL  22   7.930  -4.847  -0.731
  155   HG22  VAL  22          HG22      VAL  22   6.494  -4.948  -1.754
  156   HG23  VAL  22          HG23      VAL  22   7.634  -6.309  -1.698
  157    H    VAL  23           H        VAL  23  10.581  -6.169  -4.957
  158    HA   VAL  23           HA       VAL  23  12.029  -3.809  -6.005
  159    HB   VAL  23           HB       VAL  23  12.970  -6.016  -6.321
  160   HG11  VAL  23          HG11      VAL  23  12.302  -7.560  -8.019
  161   HG12  VAL  23          HG12      VAL  23  11.237  -7.474  -6.627
  162   HG13  VAL  23          HG13      VAL  23  10.754  -6.710  -8.184
  163   HG21  VAL  23          HG21      VAL  23  13.535  -4.084  -7.809
  164   HG22  VAL  23          HG22      VAL  23  13.711  -5.642  -8.634
  165   HG23  VAL  23          HG23      VAL  23  12.286  -4.630  -8.951
  166    H    ILE  24           H        ILE  24  11.089  -2.256  -7.150
  167    HA   ILE  24           HA       ILE  24   8.515  -2.853  -8.547
  168    HB   ILE  24           HB       ILE  24   9.557  -0.165  -7.565
  169   HG12  ILE  24          HG12      ILE  24   7.103  -0.816  -6.347
  170   HG13  ILE  24          HG13      ILE  24   7.991  -2.305  -6.223
  171   HG21  ILE  24          HG21      ILE  24   6.941  -1.008  -8.921
  172   HG22  ILE  24          HG22      ILE  24   7.269   0.601  -8.233
  173   HG23  ILE  24          HG23      ILE  24   8.203   0.030  -9.613
  174   HD11  ILE  24          HD11      ILE  24   8.708   0.462  -5.242
  175   HD12  ILE  24          HD12      ILE  24   8.024  -0.871  -4.286
  176   HD13  ILE  24          HD13      ILE  24   9.692  -1.012  -4.951
  177    H    ASP  25           H        ASP  25   8.446  -2.682 -10.642
  178    HA   ASP  25           HA       ASP  25  10.822  -1.771 -12.186
  179    HB2  ASP  25           HB2      ASP  25  10.898  -4.129 -11.479
  180    HB3  ASP  25           HB3      ASP  25   9.385  -4.457 -12.347
  181    H    GLU  26           H        GLU  26  10.260  -0.706 -13.945
  182    HA   GLU  26           HA       GLU  26   7.319  -0.173 -14.292
  183    HB2  GLU  26           HB2      GLU  26   8.040   2.019 -15.307
  184    HB3  GLU  26           HB3      GLU  26   8.342   1.820 -13.563
  185    HG2  GLU  26           HG2      GLU  26  10.649   1.276 -13.971
  186    HG3  GLU  26           HG3      GLU  26  10.417   1.340 -15.715
  187    H    THR  27           H        THR  27   6.298  -0.686 -16.143
  188    HA   THR  27           HA       THR  27   7.892  -1.021 -18.595
  189    HB   THR  27           HB       THR  27   8.303  -3.087 -17.473
  190    HG1  THR  27           HG1      THR  27   7.583  -4.473 -19.056
  191   HG21  THR  27          HG21      THR  27   5.290  -3.433 -17.211
  192   HG22  THR  27          HG22      THR  27   6.480  -4.736 -16.981
  193   HG23  THR  27          HG23      THR  27   6.491  -3.343 -15.907
  194    H    GLU  28           H        GLU  28   6.119  -2.299 -20.238
  195    HA   GLU  28           HA       GLU  28   4.112  -0.273 -20.771
  196    HB2  GLU  28           HB2      GLU  28   3.343  -1.701 -22.565
  197    HB3  GLU  28           HB3      GLU  28   5.104  -1.482 -22.609
  198    HG2  GLU  28           HG2      GLU  28   5.478  -3.730 -21.755
  199    HG3  GLU  28           HG3      GLU  28   3.746  -3.972 -21.491
  200    H    GLY  29           H        GLY  29   4.066  -3.216 -18.896
  201    HA2  GLY  29           HA2      GLY  29   1.171  -3.001 -18.350
  202    HA3  GLY  29           HA3      GLY  29   2.285  -4.229 -17.664
  203    H    GLY  30           H        GLY  30   3.447  -1.114 -17.540
  204    HA2  GLY  30           HA2      GLY  30   3.492   0.651 -15.978
  205    HA3  GLY  30           HA3      GLY  30   2.150  -0.090 -15.124
  206    H    LEU  31           H        LEU  31   2.783  -0.046 -13.137
  207    HA   LEU  31           HA       LEU  31   5.542  -0.717 -12.331
  208    HB2  LEU  31           HB2      LEU  31   3.076   0.031 -10.711
  209    HB3  LEU  31           HB3      LEU  31   4.703  -0.205 -10.040
  210    HG   LEU  31           HG       LEU  31   3.946   1.928 -12.090
  211   HD11  LEU  31          HD11      LEU  31   4.564   2.248  -9.121
  212   HD12  LEU  31          HD12      LEU  31   4.085   3.526 -10.266
  213   HD13  LEU  31          HD13      LEU  31   2.933   2.262  -9.822
  214   HD21  LEU  31          HD21      LEU  31   6.314   1.333 -12.313
  215   HD22  LEU  31          HD22      LEU  31   6.160   2.906 -11.532
  216   HD23  LEU  31          HD23      LEU  31   6.541   1.487 -10.555
  217    H    LYS  32           H        LYS  32   5.933  -2.785 -12.836
  218    HA   LYS  32           HA       LYS  32   4.446  -5.062 -11.803
  219    HB2  LYS  32           HB2      LYS  32   5.766  -4.987 -13.950
  220    HB3  LYS  32           HB3      LYS  32   7.217  -4.670 -12.990
  221    HG2  LYS  32           HG2      LYS  32   6.709  -6.882 -11.781
  222    HG3  LYS  32           HG3      LYS  32   5.560  -7.195 -13.100
  223    HD2  LYS  32           HD2      LYS  32   7.319  -7.230 -14.753
  224    HD3  LYS  32           HD3      LYS  32   8.456  -6.444 -13.645
  225    HE2  LYS  32           HE2      LYS  32   9.130  -8.683 -13.578
  226    HE3  LYS  32           HE3      LYS  32   8.195  -8.374 -12.085
  227    HZ1  LYS  32           HZ1      LYS  32   7.219  -9.740 -14.540
  228    HZ2  LYS  32           HZ2      LYS  32   7.586 -10.497 -13.136
  229    HZ3  LYS  32           HZ3      LYS  32   6.292  -9.485 -13.207
  230    H    PHE  33           H        PHE  33   4.698  -5.846  -9.792
  231    HA   PHE  33           HA       PHE  33   6.713  -4.773  -7.910
  232    HB2  PHE  33           HB2      PHE  33   4.193  -4.093  -8.080
  233    HB3  PHE  33           HB3      PHE  33   3.823  -5.727  -7.529
  234    HD1  PHE  33           HD1      PHE  33   5.777  -2.725  -6.731
  235    HD2  PHE  33           HD2      PHE  33   3.522  -6.019  -5.230
  236    HE1  PHE  33           HE1      PHE  33   5.917  -1.737  -4.403
  237    HE2  PHE  33           HE2      PHE  33   3.586  -5.025  -2.919
  238    HZ   PHE  33           HZ       PHE  33   4.815  -2.912  -2.514
  239    H    THR  34           H        THR  34   8.263  -6.549  -7.569
  240    HA   THR  34           HA       THR  34   7.019  -9.268  -7.297
  241    HB   THR  34           HB       THR  34   9.939  -8.711  -7.704
  242    HG1  THR  34           HG1      THR  34   9.481  -9.442  -9.785
  243   HG21  THR  34          HG21      THR  34   8.252 -11.246  -7.832
  244   HG22  THR  34          HG22      THR  34   9.975 -11.114  -8.253
  245   HG23  THR  34          HG23      THR  34   9.456 -10.846  -6.586
  246    HA   PRO  35           HA       PRO  35   7.851  -8.096  -3.007
  247    HB2  PRO  35           HB2      PRO  35   6.170  -9.800  -1.737
  248    HB3  PRO  35           HB3      PRO  35   5.553  -8.417  -2.699
  249    HG2  PRO  35           HG2      PRO  35   5.890 -11.311  -3.592
  250    HG3  PRO  35           HG3      PRO  35   4.419 -10.299  -3.734
  251    HD2  PRO  35           HD2      PRO  35   6.199 -10.589  -5.774
  252    HD3  PRO  35           HD3      PRO  35   5.348  -9.035  -5.486
  253    H    HIS  36           H        HIS  36   8.996  -9.006  -1.294
  254    HA   HIS  36           HA       HIS  36   9.692 -11.837  -1.258
  255    HB2  HIS  36           HB2      HIS  36  12.119 -11.478  -1.459
  256    HB3  HIS  36           HB3      HIS  36  11.208 -11.139  -2.925
  257    HD1  HIS  36           HD1      HIS  36  14.166 -10.007  -1.875
  258    HD2  HIS  36           HD2      HIS  36  10.595  -8.112  -2.854
  259    HE1  HIS  36           HE1      HIS  36  14.816  -7.611  -2.456
  260    H    LEU  37           H        LEU  37   8.143 -10.497   0.396
  261    HA   LEU  37           HA       LEU  37   9.615  -9.863   2.944
  262    HB2  LEU  37           HB2      LEU  37   6.657  -9.567   2.333
  263    HB3  LEU  37           HB3      LEU  37   7.556  -8.947   3.725
  264    HG   LEU  37           HG       LEU  37   8.764  -7.724   1.445
  265   HD11  LEU  37          HD11      LEU  37   5.708  -7.708   1.331
  266   HD12  LEU  37          HD12      LEU  37   6.750  -6.580   0.465
  267   HD13  LEU  37          HD13      LEU  37   6.826  -8.312   0.083
  268   HD21  LEU  37          HD21      LEU  37   8.535  -6.697   3.656
  269   HD22  LEU  37          HD22      LEU  37   7.825  -5.659   2.413
  270   HD23  LEU  37          HD23      LEU  37   6.768  -6.622   3.471
  271    H    LYS  38           H        LYS  38   9.145 -10.706   4.795
  272    HA   LYS  38           HA       LYS  38   7.361 -13.013   4.902
  273    HB2  LYS  38           HB2      LYS  38   8.910 -14.353   6.251
  274    HB3  LYS  38           HB3      LYS  38   9.434 -14.165   4.599
  275    HG2  LYS  38           HG2      LYS  38  10.622 -12.119   6.396
  276    HG3  LYS  38           HG3      LYS  38  10.964 -13.787   6.903
  277    HD2  LYS  38           HD2      LYS  38  12.735 -12.970   5.424
  278    HD3  LYS  38           HD3      LYS  38  11.866 -14.326   4.675
  279    HE2  LYS  38           HE2      LYS  38  10.446 -12.666   3.438
  280    HE3  LYS  38           HE3      LYS  38  11.392 -11.359   4.138
  281    HZ1  LYS  38           HZ1      LYS  38  12.297 -13.458   2.221
  282    HZ2  LYS  38           HZ2      LYS  38  12.178 -11.857   1.946
  283    HZ3  LYS  38           HZ3      LYS  38  13.355 -12.418   2.961
  284    H    ALA  39           H        ALA  39   6.839 -13.541   6.934
  285    HA   ALA  39           HA       ALA  39   6.339 -13.340   9.214
  286    HB1  ALA  39           HB1      ALA  39   7.275 -10.452   9.202
  287    HB2  ALA  39           HB2      ALA  39   7.050 -11.536  10.586
  288    HB3  ALA  39           HB3      ALA  39   8.376 -11.822   9.432
  289    H    LEU  40           H        LEU  40   4.684 -12.785   6.806
  290    HA   LEU  40           HA       LEU  40   2.534 -11.076   8.009
  291    HB2  LEU  40           HB2      LEU  40   1.656 -10.640   5.723
  292    HB3  LEU  40           HB3      LEU  40   3.054 -10.018   6.472
  293    HG   LEU  40           HG       LEU  40   3.726 -12.229   4.719
  294   HD11  LEU  40          HD11      LEU  40   3.332  -9.635   3.216
  295   HD12  LEU  40          HD12      LEU  40   3.597 -11.259   2.632
  296   HD13  LEU  40          HD13      LEU  40   2.013 -10.807   3.339
  297   HD21  LEU  40          HD21      LEU  40   5.443 -10.739   5.779
  298   HD22  LEU  40          HD22      LEU  40   5.561 -10.895   4.008
  299   HD23  LEU  40          HD23      LEU  40   4.854  -9.435   4.750
  300    HA   PRO  41           HA       PRO  41   0.604 -14.401   7.875
  301    HB2  PRO  41           HB2      PRO  41  -2.239 -13.912   7.989
  302    HB3  PRO  41           HB3      PRO  41  -1.069 -13.694   9.324
  303    HG2  PRO  41           HG2      PRO  41  -1.986 -11.719   7.281
  304    HG3  PRO  41           HG3      PRO  41  -1.859 -11.482   9.055
  305    HD2  PRO  41           HD2      PRO  41   0.207 -10.607   7.490
  306    HD3  PRO  41           HD3      PRO  41   0.467 -11.550   9.007
  307    HA   PRO  42           HA       PRO  42   0.457 -16.062   3.997
  308    HB2  PRO  42           HB2      PRO  42  -0.139 -18.673   4.337
  309    HB3  PRO  42           HB3      PRO  42   1.035 -17.822   5.418
  310    HG2  PRO  42           HG2      PRO  42  -1.939 -18.139   5.895
  311    HG3  PRO  42           HG3      PRO  42  -0.642 -18.819   6.904
  312    HD2  PRO  42           HD2      PRO  42  -1.666 -16.351   7.449
  313    HD3  PRO  42           HD3      PRO  42   0.106 -16.636   7.576
  314    H    GLY  43           H        GLY  43  -2.073 -14.691   4.300
  315    HA2  GLY  43           HA2      GLY  43  -3.870 -16.201   2.466
  316    HA3  GLY  43           HA3      GLY  43  -4.367 -14.850   3.506
  317    H    GLU  44           H        GLU  44  -4.929 -13.370   2.308
  318    HA   GLU  44           HA       GLU  44  -3.287 -12.275   0.081
  319    HB2  GLU  44           HB2      GLU  44  -6.218 -11.605   0.411
  320    HB3  GLU  44           HB3      GLU  44  -5.223 -11.695  -1.028
  321    HG2  GLU  44           HG2      GLU  44  -6.648 -13.419  -1.339
  322    HG3  GLU  44           HG3      GLU  44  -5.247 -14.275  -0.668
  323    H    HIS  45           H        HIS  45  -2.938 -10.079  -0.014
  324    HA   HIS  45           HA       HIS  45  -3.859  -8.339   2.247
  325    HB2  HIS  45           HB2      HIS  45  -1.007  -8.964   1.316
  326    HB3  HIS  45           HB3      HIS  45  -1.389  -7.437   2.111
  327    HD1  HIS  45           HD1      HIS  45  -2.293  -7.739   4.737
  328    HD2  HIS  45           HD2      HIS  45  -1.253 -11.161   2.639
  329    HE1  HIS  45           HE1      HIS  45  -2.213  -9.630   6.478
  330    HE2  HIS  45           HE2      HIS  45  -1.520 -11.778   5.148
  331    H    GLY  46           H        GLY  46  -4.770  -6.536   1.491
  332    HA2  GLY  46           HA2      GLY  46  -4.625  -5.443  -1.022
  333    HA3  GLY  46           HA3      GLY  46  -4.887  -4.482   0.454
  334    H    PHE  47           H        PHE  47  -3.412  -3.785  -1.984
  335    HA   PHE  47           HA       PHE  47  -0.778  -2.971  -0.820
  336    HB2  PHE  47           HB2      PHE  47  -0.255  -4.763  -2.235
  337    HB3  PHE  47           HB3      PHE  47  -1.460  -4.279  -3.431
  338    HD1  PHE  47           HD1      PHE  47   1.200  -2.051  -1.923
  339    HD2  PHE  47           HD2      PHE  47  -0.128  -4.315  -5.343
  340    HE1  PHE  47           HE1      PHE  47   2.912  -0.926  -3.342
  341    HE2  PHE  47           HE2      PHE  47   1.525  -3.118  -6.770
  342    HZ   PHE  47           HZ       PHE  47   3.002  -1.396  -5.781
  343    H    HIS  48           H        HIS  48  -0.992  -0.651  -0.778
  344    HA   HIS  48           HA       HIS  48  -1.993   0.560  -3.382
  345    HB2  HIS  48           HB2      HIS  48  -1.985   2.024  -0.715
  346    HB3  HIS  48           HB3      HIS  48  -2.859   2.488  -2.170
  347    HD2  HIS  48           HD2      HIS  48  -4.655  -0.036  -2.694
  348    HE1  HIS  48           HE1      HIS  48  -5.815   0.143   1.388
  349    HE2  HIS  48           HE2      HIS  48  -6.423  -0.741  -0.891
  350    H    ILE  49           H        ILE  49  -1.380   2.694  -3.904
  351    HA   ILE  49           HA       ILE  49   1.246   3.740  -2.876
  352    HB   ILE  49           HB       ILE  49  -0.231   4.255  -5.488
  353   HG12  ILE  49          HG12      ILE  49   2.686   3.467  -5.101
  354   HG13  ILE  49          HG13      ILE  49   1.408   2.239  -5.162
  355   HG21  ILE  49          HG21      ILE  49   2.202   5.744  -4.382
  356   HG22  ILE  49          HG22      ILE  49   1.567   5.900  -6.032
  357   HG23  ILE  49          HG23      ILE  49   0.594   6.433  -4.677
  358   HD11  ILE  49          HD11      ILE  49   2.090   4.190  -7.397
  359   HD12  ILE  49          HD12      ILE  49   2.397   2.448  -7.346
  360   HD13  ILE  49          HD13      ILE  49   0.729   3.047  -7.410
  361    H    HIS  50           H        HIS  50   1.260   5.905  -2.177
  362    HA   HIS  50           HA       HIS  50  -1.354   6.916  -1.171
  363    HB2  HIS  50           HB2      HIS  50   1.154   6.092   0.285
  364    HB3  HIS  50           HB3      HIS  50   0.293   7.495   0.859
  365    HD1  HIS  50           HD1      HIS  50  -0.845   6.667   2.949
  366    HD2  HIS  50           HD2      HIS  50  -1.297   4.087  -0.292
  367    HE1  HIS  50           HE1      HIS  50  -2.406   4.791   3.778
  368    H    ALA  51           H        ALA  51  -1.257   9.259  -0.516
  369    HA   ALA  51           HA       ALA  51  -0.359  10.532  -2.926
  370    HB1  ALA  51           HB1      ALA  51  -1.670  11.733  -0.444
  371    HB2  ALA  51           HB2      ALA  51  -1.599  12.475  -2.051
  372    HB3  ALA  51           HB3      ALA  51  -2.543  10.996  -1.801
  373    H    ASN  52           H        ASN  52   0.838  10.797   0.371
  374    HA   ASN  52           HA       ASN  52   3.156  12.419  -0.635
  375    HB2  ASN  52           HB2      ASN  52   1.884  12.480   2.119
  376    HB3  ASN  52           HB3      ASN  52   3.327  13.372   1.641
  377   HD21  ASN  52          HD21      ASN  52  -0.027  13.574   1.967
  378   HD22  ASN  52          HD22      ASN  52  -0.263  15.019   1.001
  379    H    GLY  53           H        GLY  53   5.025  12.111   1.185
  380    HA2  GLY  53           HA2      GLY  53   5.597   9.165   1.090
  381    HA3  GLY  53           HA3      GLY  53   6.697  10.447   0.580
  382    H    SER  54           H        SER  54   4.844  10.107   3.706
  383    HA   SER  54           HA       SER  54   7.345   9.227   5.019
  384    HB2  SER  54           HB2      SER  54   7.594  11.632   5.010
  385    HB3  SER  54           HB3      SER  54   5.982  11.847   5.682
  386    HG   SER  54           HG       SER  54   7.702  12.004   7.210
  387    H    CYS  55           H        CYS  55   6.827   7.574   6.343
  388    HA   CYS  55           HA       CYS  55   4.246   6.741   6.853
  389    HB2  CYS  55           HB2      CYS  55   6.668   6.012   8.482
  390    HB3  CYS  55           HB3      CYS  55   5.324   4.980   8.040
  391    H    GLN  56           H        GLN  56   5.481   9.380   8.499
  392    HA   GLN  56           HA       GLN  56   5.180   8.339  11.192
  393    HB2  GLN  56           HB2      GLN  56   6.900  10.144  10.101
  394    HB3  GLN  56           HB3      GLN  56   5.724  11.246  10.812
  395    HG2  GLN  56           HG2      GLN  56   7.389  10.905  12.465
  396    HG3  GLN  56           HG3      GLN  56   6.026   9.938  13.012
  397   HE21  GLN  56          HE21      GLN  56   9.408   9.889  12.273
  398   HE22  GLN  56          HE22      GLN  56   9.590   8.140  12.278
  399    HA   PRO  57           HA       PRO  57   1.099  10.221  11.759
  400    HB2  PRO  57           HB2      PRO  57   0.343   9.048  14.058
  401    HB3  PRO  57           HB3      PRO  57   0.646   8.072  12.589
  402    HG2  PRO  57           HG2      PRO  57   2.545   8.579  14.908
  403    HG3  PRO  57           HG3      PRO  57   2.115   7.013  14.145
  404    HD2  PRO  57           HD2      PRO  57   4.353   8.461  13.454
  405    HD3  PRO  57           HD3      PRO  57   3.458   7.410  12.304
  406    H    ALA  58           H        ALA  58  -0.027  11.696  13.044
  407    HA   ALA  58           HA       ALA  58   1.303  12.877  15.440
  408    HB1  ALA  58           HB1      ALA  58  -0.988  13.936  13.719
  409    HB2  ALA  58           HB2      ALA  58  -0.273  14.758  15.122
  410    HB3  ALA  58           HB3      ALA  58   0.691  14.499  13.656
  411    H    ILE  59           H        ILE  59  -0.565  13.574  17.047
  412    HA   ILE  59           HA       ILE  59  -2.535  11.336  17.405
  413    HB   ILE  59           HB       ILE  59  -1.356  13.040  19.615
  414   HG12  ILE  59          HG12      ILE  59   0.495  11.695  18.815
  415   HG13  ILE  59          HG13      ILE  59  -0.054  11.149  20.382
  416   HG21  ILE  59          HG21      ILE  59  -3.121  10.567  19.658
  417   HG22  ILE  59          HG22      ILE  59  -2.353  11.293  21.087
  418   HG23  ILE  59          HG23      ILE  59  -3.541  12.214  20.166
  419   HD11  ILE  59          HD11      ILE  59  -0.581   9.771  17.726
  420   HD12  ILE  59          HD12      ILE  59   0.517   9.248  19.008
  421   HD13  ILE  59          HD13      ILE  59  -1.230   9.229  19.299
  422    H    LYS  60           H        LYS  60  -4.540  11.907  17.236
  423    HA   LYS  60           HA       LYS  60  -5.457  14.722  17.644
  424    HB2  LYS  60           HB2      LYS  60  -6.037  12.736  15.525
  425    HB3  LYS  60           HB3      LYS  60  -7.501  13.219  16.351
  426    HG2  LYS  60           HG2      LYS  60  -7.001  15.606  15.918
  427    HG3  LYS  60           HG3      LYS  60  -5.508  15.141  15.072
  428    HD2  LYS  60           HD2      LYS  60  -6.802  13.900  13.389
  429    HD3  LYS  60           HD3      LYS  60  -8.296  14.166  14.293
  430    HE2  LYS  60           HE2      LYS  60  -8.290  15.651  12.421
  431    HE3  LYS  60           HE3      LYS  60  -8.135  16.611  13.892
  432    HZ1  LYS  60           HZ1      LYS  60  -5.792  15.824  12.239
  433    HZ2  LYS  60           HZ2      LYS  60  -6.619  17.215  11.997
  434    HZ3  LYS  60           HZ3      LYS  60  -5.849  16.967  13.426
  435    H    ASP  61           H        ASP  61  -7.989  14.474  18.310
  436    HA   ASP  61           HA       ASP  61  -7.933  13.813  20.958
  437    HB2  ASP  61           HB2      ASP  61  -9.604  15.252  19.665
  438    HB3  ASP  61           HB3      ASP  61 -10.521  13.773  19.372
  439    H    GLY  62           H        GLY  62  -7.391  11.969  21.830
  440    HA2  GLY  62           HA2      GLY  62  -7.581   9.826  22.636
  441    HA3  GLY  62           HA3      GLY  62  -9.180   9.715  21.868
  442    H    GLN  63           H        GLN  63  -6.472  10.377  19.690
  443    HA   GLN  63           HA       GLN  63  -6.219   7.533  18.972
  444    HB2  GLN  63           HB2      GLN  63  -7.310   7.711  16.812
  445    HB3  GLN  63           HB3      GLN  63  -8.427   8.094  18.114
  446    HG2  GLN  63           HG2      GLN  63  -7.807  10.606  17.592
  447    HG3  GLN  63           HG3      GLN  63  -7.192   9.963  16.072
  448   HE21  GLN  63          HE21      GLN  63 -10.061  10.792  17.909
  449   HE22  GLN  63          HE22      GLN  63 -11.191  10.363  16.621
  450    H    ALA  64           H        ALA  64  -4.437   7.009  17.840
  451    HA   ALA  64           HA       ALA  64  -2.585   9.121  16.957
  452    HB1  ALA  64           HB1      ALA  64  -2.371   6.077  16.877
  453    HB2  ALA  64           HB2      ALA  64  -1.062   7.233  16.545
  454    HB3  ALA  64           HB3      ALA  64  -1.741   7.115  18.176
  455    H    VAL  65           H        VAL  65  -2.379   9.782  14.884
  456    HA   VAL  65           HA       VAL  65  -4.444   8.970  13.024
  457    HB   VAL  65           HB       VAL  65  -2.301  11.088  12.604
  458   HG11  VAL  65          HG11      VAL  65  -5.097  10.723  11.383
  459   HG12  VAL  65          HG12      VAL  65  -4.062  12.144  11.146
  460   HG13  VAL  65          HG13      VAL  65  -3.570  10.594  10.496
  461   HG21  VAL  65          HG21      VAL  65  -3.568  11.567  14.699
  462   HG22  VAL  65          HG22      VAL  65  -4.011  12.700  13.430
  463   HG23  VAL  65          HG23      VAL  65  -5.092  11.346  13.826
  464    H    ALA  66           H        ALA  66  -3.097   6.826  13.273
  465    HA   ALA  66           HA       ALA  66  -2.330   4.985  12.255
  466    HB1  ALA  66           HB1      ALA  66  -3.161   6.522   9.768
  467    HB2  ALA  66           HB2      ALA  66  -2.967   4.764   9.900
  468    HB3  ALA  66           HB3      ALA  66  -4.227   5.593  10.842
  469    H    ALA  67           H        ALA  67  -1.086   7.539  10.260
  470    HA   ALA  67           HA       ALA  67   1.626   7.357  10.044
  471    HB1  ALA  67           HB1      ALA  67   0.264   5.429   8.101
  472    HB2  ALA  67           HB2      ALA  67   1.909   6.062   7.908
  473    HB3  ALA  67           HB3      ALA  67   1.532   5.036   9.295
  474    H    GLU  68           H        GLU  68   1.220   9.606   9.811
  475    HA   GLU  68           HA       GLU  68  -1.233  10.387   8.421
  476    HB2  GLU  68           HB2      GLU  68  -0.668  11.191  10.696
  477    HB3  GLU  68           HB3      GLU  68   0.772  11.986  10.057
  478    HG2  GLU  68           HG2      GLU  68  -0.741  13.410   8.609
  479    HG3  GLU  68           HG3      GLU  68  -2.129  12.649   9.398
  480    H    ALA  69           H        ALA  69   2.242  11.339   8.219
  481    HA   ALA  69           HA       ALA  69   1.821  13.131   6.016
  482    HB1  ALA  69           HB1      ALA  69   4.346  11.944   7.227
  483    HB2  ALA  69           HB2      ALA  69   4.285  13.324   6.099
  484    HB3  ALA  69           HB3      ALA  69   3.546  13.451   7.705
  485    H    ALA  70           H        ALA  70   1.209  10.121   5.728
  486    HA   ALA  70           HA       ALA  70   2.361   9.619   3.041
  487    HB1  ALA  70           HB1      ALA  70   0.402   8.014   4.744
  488    HB2  ALA  70           HB2      ALA  70   1.195   7.485   3.233
  489    HB3  ALA  70           HB3      ALA  70   2.162   7.777   4.691
  490    H    GLY  71           H        GLY  71  -0.417  11.209   4.472
  491    HA2  GLY  71           HA2      GLY  71  -1.925  12.564   3.347
  492    HA3  GLY  71           HA3      GLY  71  -1.143  12.092   1.826
  493    H    GLY  72           H        GLY  72  -2.343   9.345   3.419
  494    HA2  GLY  72           HA2      GLY  72  -4.273   8.017   3.013
  495    HA3  GLY  72           HA3      GLY  72  -5.013   9.382   2.149
  496    H    HIS  73           H        HIS  73  -5.668   7.656   0.606
  497    HA   HIS  73           HA       HIS  73  -3.711   6.247  -1.023
  498    HB2  HIS  73           HB2      HIS  73  -6.638   6.947  -1.531
  499    HB3  HIS  73           HB3      HIS  73  -5.652   5.939  -2.587
  500    HD2  HIS  73           HD2      HIS  73  -4.584   4.928   0.736
  501    HE1  HIS  73           HE1      HIS  73  -7.726   2.221  -0.073
  502    HE2  HIS  73           HE2      HIS  73  -5.738   2.746   1.419
  503    H    LEU  74           H        LEU  74  -2.962   6.745  -3.156
  504    HA   LEU  74           HA       LEU  74  -2.718   9.563  -3.743
  505    HB2  LEU  74           HB2      LEU  74  -0.970   8.078  -4.384
  506    HB3  LEU  74           HB3      LEU  74  -2.057   7.099  -5.372
  507    HG   LEU  74           HG       LEU  74  -2.342   8.910  -6.979
  508   HD11  LEU  74          HD11      LEU  74  -0.561  10.532  -5.122
  509   HD12  LEU  74          HD12      LEU  74  -0.904  10.977  -6.809
  510   HD13  LEU  74          HD13      LEU  74  -2.210  10.918  -5.629
  511   HD21  LEU  74          HD21      LEU  74  -0.448   7.350  -7.244
  512   HD22  LEU  74          HD22      LEU  74  -0.049   8.956  -7.873
  513   HD23  LEU  74          HD23      LEU  74   0.592   8.437  -6.299
  514    H    ASP  75           H        ASP  75  -4.399  10.688  -4.094
  515    HA   ASP  75           HA       ASP  75  -5.299  10.968  -6.723
  516    HB2  ASP  75           HB2      ASP  75  -7.576  10.601  -6.696
  517    HB3  ASP  75           HB3      ASP  75  -7.010   9.200  -5.835
  518    HA   PRO  76           HA       PRO  76  -5.329  14.960  -4.942
  519    HB2  PRO  76           HB2      PRO  76  -6.408  16.550  -6.838
  520    HB3  PRO  76           HB3      PRO  76  -4.977  15.528  -7.158
  521    HG2  PRO  76           HG2      PRO  76  -7.873  14.918  -7.830
  522    HG3  PRO  76           HG3      PRO  76  -6.441  14.799  -8.896
  523    HD2  PRO  76           HD2      PRO  76  -7.494  12.661  -7.511
  524    HD3  PRO  76           HD3      PRO  76  -5.753  12.805  -7.902
  525    H    GLN  77           H        GLN  77  -8.627  13.689  -5.165
  526    HA   GLN  77           HA       GLN  77  -9.826  15.526  -3.356
  527    HB2  GLN  77           HB2      GLN  77 -11.075  17.028  -4.859
  528    HB3  GLN  77           HB3      GLN  77  -9.377  17.282  -5.006
  529    HG2  GLN  77           HG2      GLN  77  -9.945  15.357  -7.023
  530    HG3  GLN  77           HG3      GLN  77 -11.374  16.363  -6.984
  531   HE21  GLN  77          HE21      GLN  77 -10.789  17.068  -9.206
  532   HE22  GLN  77          HE22      GLN  77  -9.495  18.251  -9.383
  533    H    ASN  78           H        ASN  78 -10.135  12.739  -5.155
  534    HA   ASN  78           HA       ASN  78 -12.314  13.145  -6.745
  535    HB2  ASN  78           HB2      ASN  78 -11.256  10.566  -5.514
  536    HB3  ASN  78           HB3      ASN  78 -12.451  10.609  -6.808
  537   HD21  ASN  78          HD21      ASN  78 -10.449   9.204  -7.523
  538   HD22  ASN  78          HD22      ASN  78  -9.366  10.097  -8.602
  539    H    THR  79           H        THR  79 -12.480  11.607  -3.571
  540    HA   THR  79           HA       THR  79 -14.868  12.263  -2.490
  541    HB   THR  79           HB       THR  79 -16.146  11.560  -4.431
  542    HG1  THR  79           HG1      THR  79 -17.609  10.459  -3.296
  543   HG21  THR  79          HG21      THR  79 -14.994   8.769  -3.943
  544   HG22  THR  79          HG22      THR  79 -16.319   9.176  -5.060
  545   HG23  THR  79          HG23      THR  79 -14.691   9.784  -5.360
  546    H    GLY  80           H        GLY  80 -15.708  10.470  -0.969
  547    HA2  GLY  80           HA2      GLY  80 -13.407   9.139   0.348
  548    HA3  GLY  80           HA3      GLY  80 -15.088   9.226   0.944
  549    H    LYS  81           H        LYS  81 -15.787   8.241  -2.017
  550    HA   LYS  81           HA       LYS  81 -16.013   5.453  -1.252
  551    HB2  LYS  81           HB2      LYS  81 -16.295   6.228  -4.127
  552    HB3  LYS  81           HB3      LYS  81 -17.212   5.073  -3.184
  553    HG2  LYS  81           HG2      LYS  81 -17.487   8.079  -3.277
  554    HG3  LYS  81           HG3      LYS  81 -18.624   6.899  -3.867
  555    HD2  LYS  81           HD2      LYS  81 -18.015   7.323  -0.902
  556    HD3  LYS  81           HD3      LYS  81 -19.275   8.148  -1.809
  557    HE2  LYS  81           HE2      LYS  81 -20.238   5.881  -2.410
  558    HE3  LYS  81           HE3      LYS  81 -19.105   5.164  -1.244
  559    HZ1  LYS  81           HZ1      LYS  81 -21.093   7.281  -0.630
  560    HZ2  LYS  81           HZ2      LYS  81 -21.280   5.698  -0.206
  561    HZ3  LYS  81           HZ3      LYS  81 -20.088   6.625   0.460
  562    H    HIS  82           H        HIS  82 -14.957   3.615  -2.171
  563    HA   HIS  82           HA       HIS  82 -12.140   4.211  -3.003
  564    HB2  HIS  82           HB2      HIS  82 -12.251   3.611  -0.688
  565    HB3  HIS  82           HB3      HIS  82 -13.314   2.249  -1.029
  566    HD2  HIS  82           HD2      HIS  82 -12.213   0.033  -0.920
  567    HE1  HIS  82           HE1      HIS  82  -8.227   0.903  -2.022
  568    HE2  HIS  82           HE2      HIS  82  -9.797  -0.858  -1.152
  569    H    GLU  83           H        GLU  83 -11.083   2.820  -4.420
  570    HA   GLU  83           HA       GLU  83 -12.858   2.167  -6.522
  571    HB2  GLU  83           HB2      GLU  83 -10.543   3.284  -6.548
  572    HB3  GLU  83           HB3      GLU  83  -9.870   1.664  -6.532
  573    HG2  GLU  83           HG2      GLU  83 -10.400   1.300  -8.734
  574    HG3  GLU  83           HG3      GLU  83 -11.956   2.115  -8.611
  575    H    GLY  84           H        GLY  84 -13.901   0.410  -6.874
  576    HA2  GLY  84           HA2      GLY  84 -12.967  -2.265  -6.000
  577    HA3  GLY  84           HA3      GLY  84 -14.560  -1.861  -6.678
  578    HA   PRO  85           HA       PRO  85 -11.348  -3.761  -9.628
  579    HB2  PRO  85           HB2      PRO  85 -12.565  -6.161 -10.257
  580    HB3  PRO  85           HB3      PRO  85 -11.555  -5.889  -8.808
  581    HG2  PRO  85           HG2      PRO  85 -14.581  -5.740  -9.024
  582    HG3  PRO  85           HG3      PRO  85 -13.602  -6.646  -7.822
  583    HD2  PRO  85           HD2      PRO  85 -14.606  -4.210  -7.230
  584    HD3  PRO  85           HD3      PRO  85 -12.949  -4.646  -6.717
  585    H    GLU  86           H        GLU  86 -14.500  -2.676 -10.102
  586    HA   GLU  86           HA       GLU  86 -13.931  -1.831 -12.746
  587    HB2  GLU  86           HB2      GLU  86 -15.971  -2.859 -13.856
  588    HB3  GLU  86           HB3      GLU  86 -14.551  -3.846 -13.609
  589    HG2  GLU  86           HG2      GLU  86 -15.704  -4.839 -11.538
  590    HG3  GLU  86           HG3      GLU  86 -17.160  -3.994 -12.065
  591    H    GLY  87           H        GLY  87 -14.355  -0.711 -10.230
  592    HA2  GLY  87           HA2      GLY  87 -16.899   0.880 -10.452
  593    HA3  GLY  87           HA3      GLY  87 -16.120   0.442  -8.927
  594    H    GLN  88           H        GLN  88 -15.686   2.555  -8.163
  595    HA   GLN  88           HA       GLN  88 -13.404   3.873  -9.457
  596    HB2  GLN  88           HB2      GLN  88 -15.564   4.818 -10.469
  597    HB3  GLN  88           HB3      GLN  88 -15.947   5.411  -8.858
  598    HG2  GLN  88           HG2      GLN  88 -15.003   7.276  -9.783
  599    HG3  GLN  88           HG3      GLN  88 -13.576   6.626  -9.034
  600   HE21  GLN  88          HE21      GLN  88 -12.055   5.239 -10.585
  601   HE22  GLN  88          HE22      GLN  88 -12.064   5.799 -12.250
  602    H    GLY  89           H        GLY  89 -12.162   5.087  -8.071
  603    HA2  GLY  89           HA2      GLY  89 -13.119   6.312  -5.654
  604    HA3  GLY  89           HA3      GLY  89 -12.119   4.929  -5.273
  605    H    HIS  90           H        HIS  90  -9.871   4.935  -5.907
  606    HA   HIS  90           HA       HIS  90  -8.701   7.634  -6.413
  607    HB2  HIS  90           HB2      HIS  90  -7.573   5.804  -4.298
  608    HB3  HIS  90           HB3      HIS  90  -7.417   7.540  -4.438
  609    HD2  HIS  90           HD2      HIS  90  -9.982   8.876  -3.959
  610    HE1  HIS  90           HE1      HIS  90 -11.275   5.979  -1.146
  611    HE2  HIS  90           HE2      HIS  90 -11.653   8.332  -2.092
  612    H    LEU  91           H        LEU  91  -6.836   7.536  -7.752
  613    HA   LEU  91           HA       LEU  91  -6.512   5.105  -9.169
  614    HB2  LEU  91           HB2      LEU  91  -5.042   6.260 -10.609
  615    HB3  LEU  91           HB3      LEU  91  -6.334   7.334 -10.134
  616    HG   LEU  91           HG       LEU  91  -4.586   8.254  -8.367
  617   HD11  LEU  91          HD11      LEU  91  -2.759   6.965 -10.458
  618   HD12  LEU  91          HD12      LEU  91  -2.246   8.210  -9.308
  619   HD13  LEU  91          HD13      LEU  91  -2.758   6.632  -8.714
  620   HD21  LEU  91          HD21      LEU  91  -5.530   9.540 -10.240
  621   HD22  LEU  91          HD22      LEU  91  -3.809   9.892 -10.031
  622   HD23  LEU  91          HD23      LEU  91  -4.338   8.822 -11.348
  623    H    GLY  92           H        GLY  92  -4.726   6.178  -6.395
  624    HA2  GLY  92           HA2      GLY  92  -2.533   4.290  -6.672
  625    HA3  GLY  92           HA3      GLY  92  -3.012   5.167  -5.194
  626    H    ASP  93           H        ASP  93  -5.771   3.581  -6.131
  627    HA   ASP  93           HA       ASP  93  -5.396   1.353  -4.279
  628    HB2  ASP  93           HB2      ASP  93  -7.681   2.146  -6.108
  629    HB3  ASP  93           HB3      ASP  93  -7.754   0.840  -4.931
  630    H    LEU  94           H        LEU  94  -5.053  -0.775  -4.825
  631    HA   LEU  94           HA       LEU  94  -3.958  -1.326  -7.529
  632    HB2  LEU  94           HB2      LEU  94  -2.670  -0.279  -5.130
  633    HB3  LEU  94           HB3      LEU  94  -1.973  -1.842  -5.487
  634    HG   LEU  94           HG       LEU  94  -1.016  -1.132  -7.411
  635   HD11  LEU  94          HD11      LEU  94  -2.660   1.436  -7.410
  636   HD12  LEU  94          HD12      LEU  94  -1.312   1.093  -8.504
  637   HD13  LEU  94          HD13      LEU  94  -2.779   0.121  -8.604
  638   HD21  LEU  94          HD21      LEU  94  -0.071  -0.235  -5.283
  639   HD22  LEU  94          HD22      LEU  94   0.411   0.622  -6.756
  640   HD23  LEU  94          HD23      LEU  94  -0.828   1.320  -5.694
  641    HA   PRO  95           HA       PRO  95  -5.130  -5.373  -6.958
  642    HB2  PRO  95           HB2      PRO  95  -3.198  -7.004  -8.010
  643    HB3  PRO  95           HB3      PRO  95  -4.106  -5.811  -8.991
  644    HG2  PRO  95           HG2      PRO  95  -1.366  -5.481  -7.724
  645    HG3  PRO  95           HG3      PRO  95  -1.853  -5.126  -9.413
  646    HD2  PRO  95           HD2      PRO  95  -1.728  -3.201  -7.499
  647    HD3  PRO  95           HD3      PRO  95  -2.996  -3.163  -8.765
  648    H    VAL  96           H        VAL  96  -5.217  -7.224  -5.652
  649    HA   VAL  96           HA       VAL  96  -3.875  -6.865  -3.123
  650    HB   VAL  96           HB       VAL  96  -5.778  -9.059  -3.953
  651   HG11  VAL  96          HG11      VAL  96  -5.113  -8.233  -1.143
  652   HG12  VAL  96          HG12      VAL  96  -6.170  -9.542  -1.664
  653   HG13  VAL  96          HG13      VAL  96  -4.426  -9.671  -1.933
  654   HG21  VAL  96          HG21      VAL  96  -6.833  -6.841  -4.100
  655   HG22  VAL  96          HG22      VAL  96  -7.468  -7.734  -2.716
  656   HG23  VAL  96          HG23      VAL  96  -6.267  -6.451  -2.462
  657    H    LEU  97           H        LEU  97  -2.314  -7.820  -2.269
  658    HA   LEU  97           HA       LEU  97  -0.294  -9.199  -3.786
  659    HB2  LEU  97           HB2      LEU  97  -0.532  -7.166  -1.856
  660    HB3  LEU  97           HB3      LEU  97   0.029  -8.494  -0.888
  661    HG   LEU  97           HG       LEU  97   1.405  -7.262  -3.320
  662   HD11  LEU  97          HD11      LEU  97   1.930  -7.178  -0.307
  663   HD12  LEU  97          HD12      LEU  97   3.086  -6.608  -1.512
  664   HD13  LEU  97          HD13      LEU  97   1.515  -5.806  -1.364
  665   HD21  LEU  97          HD21      LEU  97   1.947  -9.638  -3.148
  666   HD22  LEU  97          HD22      LEU  97   3.305  -8.630  -2.614
  667   HD23  LEU  97          HD23      LEU  97   2.277  -9.436  -1.394
  668    H    VAL  98           H        VAL  98   0.138 -11.408  -3.616
  669    HA   VAL  98           HA       VAL  98  -1.466 -13.025  -1.717
  670    HB   VAL  98           HB       VAL  98   0.039 -13.735  -4.251
  671   HG11  VAL  98          HG11      VAL  98  -1.594 -15.566  -2.429
  672   HG12  VAL  98          HG12      VAL  98  -1.072 -15.977  -4.078
  673   HG13  VAL  98          HG13      VAL  98   0.135 -15.725  -2.820
  674   HG21  VAL  98          HG21      VAL  98  -2.063 -12.486  -4.604
  675   HG22  VAL  98          HG22      VAL  98  -2.265 -14.166  -5.108
  676   HG23  VAL  98          HG23      VAL  98  -2.934 -13.623  -3.553
  677    H    VAL  99           H        VAL  99  -0.695 -14.415  -0.217
  678    HA   VAL  99           HA       VAL  99   2.238 -14.504   0.337
  679    HB   VAL  99           HB       VAL  99   0.044 -14.451   2.445
  680   HG11  VAL  99          HG11      VAL  99   2.910 -13.440   2.653
  681   HG12  VAL  99          HG12      VAL  99   1.709 -13.353   3.921
  682   HG13  VAL  99          HG13      VAL  99   2.288 -14.950   3.374
  683   HG21  VAL  99          HG21      VAL  99  -0.360 -12.422   1.226
  684   HG22  VAL  99          HG22      VAL  99   0.474 -12.078   2.740
  685   HG23  VAL  99          HG23      VAL  99   1.375 -12.020   1.213
  686    H    ASN 100           H        ASN 100   2.990 -16.547   1.046
  687    HA   ASN 100           HA       ASN 100   1.051 -18.812   0.900
  688    HB2  ASN 100           HB2      ASN 100   2.852 -20.222   0.275
  689    HB3  ASN 100           HB3      ASN 100   2.899 -18.795  -0.747
  690   HD21  ASN 100          HD21      ASN 100   4.549 -20.473   1.979
  691   HD22  ASN 100          HD22      ASN 100   6.041 -19.581   1.756
  692    H    ASN 101           H        ASN 101   1.261 -20.593   2.324
  693    HA   ASN 101           HA       ASN 101   1.460 -19.869   5.098
  694    HB2  ASN 101           HB2      ASN 101   0.552 -22.158   5.449
  695    HB3  ASN 101           HB3      ASN 101  -0.395 -21.123   4.383
  696   HD21  ASN 101          HD21      ASN 101   1.815 -23.914   4.452
  697   HD22  ASN 101          HD22      ASN 101   1.447 -24.341   2.777
  698    H    ASP 102           H        ASP 102   3.782 -19.424   4.319
  699    HA   ASP 102           HA       ASP 102   5.026 -20.761   6.614
  700    HB2  ASP 102           HB2      ASP 102   6.181 -21.408   4.302
  701    HB3  ASP 102           HB3      ASP 102   6.919 -19.817   4.457
  702    H    GLY 103           H        GLY 103   3.696 -18.092   5.254
  703    HA2  GLY 103           HA2      GLY 103   3.331 -16.070   6.275
  704    HA3  GLY 103           HA3      GLY 103   4.820 -16.220   7.236
  705    H    ILE 104           H        ILE 104   4.621 -16.585   3.686
  706    HA   ILE 104           HA       ILE 104   6.540 -14.297   3.392
  707    HB   ILE 104           HB       ILE 104   6.694 -16.968   1.951
  708   HG12  ILE 104          HG12      ILE 104   8.214 -16.090   4.438
  709   HG13  ILE 104          HG13      ILE 104   7.105 -17.443   4.294
  710   HG21  ILE 104          HG21      ILE 104   8.765 -14.741   2.206
  711   HG22  ILE 104          HG22      ILE 104   8.908 -16.219   1.232
  712   HG23  ILE 104          HG23      ILE 104   7.732 -15.006   0.786
  713   HD11  ILE 104          HD11      ILE 104   9.860 -17.251   3.052
  714   HD12  ILE 104          HD12      ILE 104   9.297 -18.340   4.326
  715   HD13  ILE 104          HD13      ILE 104   8.678 -18.533   2.673
  716    H    ALA 105           H        ALA 105   6.284 -13.005   1.567
  717    HA   ALA 105           HA       ALA 105   4.204 -13.811  -0.443
  718    HB1  ALA 105           HB1      ALA 105   5.137 -11.032   0.395
  719    HB2  ALA 105           HB2      ALA 105   4.165 -11.371  -1.056
  720    HB3  ALA 105           HB3      ALA 105   3.499 -11.739   0.530
  721    H    THR 106           H        THR 106   5.003 -14.399  -2.322
  722    HA   THR 106           HA       THR 106   7.546 -13.288  -3.370
  723    HB   THR 106           HB       THR 106   8.021 -15.226  -1.875
  724    HG1  THR 106           HG1      THR 106   8.595 -15.235  -4.618
  725   HG21  THR 106          HG21      THR 106   6.739 -16.895  -4.088
  726   HG22  THR 106          HG22      THR 106   7.684 -17.490  -2.709
  727   HG23  THR 106          HG23      THR 106   6.121 -16.714  -2.429
  728    H    GLU 107           H        GLU 107   4.499 -13.553  -4.183
  729    HA   GLU 107           HA       GLU 107   4.883 -14.589  -6.946
  730    HB2  GLU 107           HB2      GLU 107   2.392 -13.983  -5.312
  731    HB3  GLU 107           HB3      GLU 107   2.362 -14.362  -7.033
  732    HG2  GLU 107           HG2      GLU 107   3.440 -16.199  -4.850
  733    HG3  GLU 107           HG3      GLU 107   1.852 -16.320  -5.608
  734    HA   PRO 108           HA       PRO 108   4.991 -10.226  -7.951
  735    HB2  PRO 108           HB2      PRO 108   5.246 -10.308 -10.668
  736    HB3  PRO 108           HB3      PRO 108   6.551 -10.820  -9.555
  737    HG2  PRO 108           HG2      PRO 108   4.511 -12.570 -10.956
  738    HG3  PRO 108           HG3      PRO 108   6.285 -12.800 -10.865
  739    HD2  PRO 108           HD2      PRO 108   4.551 -14.083  -9.177
  740    HD3  PRO 108           HD3      PRO 108   6.168 -13.538  -8.633
  741    H    VAL 109           H        VAL 109   3.618  -8.634  -8.426
  742    HA   VAL 109           HA       VAL 109   1.098  -9.133  -9.950
  743    HB   VAL 109           HB       VAL 109  -0.190  -7.733  -8.430
  744   HG11  VAL 109          HG11      VAL 109   1.073 -10.042  -6.890
  745   HG12  VAL 109          HG12      VAL 109  -0.519  -9.313  -6.610
  746   HG13  VAL 109          HG13      VAL 109  -0.206 -10.200  -8.112
  747   HG21  VAL 109          HG21      VAL 109   1.530  -6.329  -7.401
  748   HG22  VAL 109          HG22      VAL 109   0.607  -7.166  -6.152
  749   HG23  VAL 109          HG23      VAL 109   2.233  -7.740  -6.573
  750    H    THR 110           H        THR 110   0.170  -7.019 -10.817
  751    HA   THR 110           HA       THR 110   2.312  -4.983 -11.328
  752    HB   THR 110           HB       THR 110   0.853  -6.711 -13.366
  753    HG1  THR 110           HG1      THR 110   2.788  -7.542 -13.767
  754   HG21  THR 110          HG21      THR 110   2.731  -4.342 -13.779
  755   HG22  THR 110          HG22      THR 110   2.384  -5.557 -15.027
  756   HG23  THR 110          HG23      THR 110   1.068  -4.590 -14.371
  757    H    ALA 111           H        ALA 111   1.580  -2.961 -11.460
  758    HA   ALA 111           HA       ALA 111  -1.358  -2.482 -11.703
  759    HB1  ALA 111           HB1      ALA 111   0.856  -0.818 -10.463
  760    HB2  ALA 111           HB2      ALA 111  -0.866  -0.391 -10.507
  761    HB3  ALA 111           HB3      ALA 111  -0.326  -1.825  -9.605
  762    HA   PRO 112           HA       PRO 112   0.099  -0.744 -15.723
  763    HB2  PRO 112           HB2      PRO 112  -2.134  -1.245 -17.216
  764    HB3  PRO 112           HB3      PRO 112  -0.973  -2.528 -16.767
  765    HG2  PRO 112           HG2      PRO 112  -3.567  -1.788 -15.370
  766    HG3  PRO 112           HG3      PRO 112  -3.028  -3.414 -15.911
  767    HD2  PRO 112           HD2      PRO 112  -2.683  -2.588 -13.358
  768    HD3  PRO 112           HD3      PRO 112  -1.427  -3.561 -14.183
  769    H    ARG 113           H        ARG 113  -2.052   0.514 -13.532
  770    HA   ARG 113           HA       ARG 113  -3.003   2.716 -15.260
  771    HB2  ARG 113           HB2      ARG 113  -4.500   3.317 -13.508
  772    HB3  ARG 113           HB3      ARG 113  -4.581   1.588 -13.825
  773    HG2  ARG 113           HG2      ARG 113  -2.919   1.419 -11.768
  774    HG3  ARG 113           HG3      ARG 113  -3.545   3.024 -11.383
  775    HD2  ARG 113           HD2      ARG 113  -5.203   0.477 -11.725
  776    HD3  ARG 113           HD3      ARG 113  -4.706   1.185 -10.194
  777    HE   ARG 113           HE       ARG 113  -6.331   2.790 -10.320
  778   HH11  ARG 113          HH11      ARG 113  -6.444   1.002 -13.430
  779   HH12  ARG 113          HH12      ARG 113  -7.909   1.774 -13.893
  780   HH21  ARG 113          HH21      ARG 113  -8.415   3.384 -10.861
  781   HH22  ARG 113          HH22      ARG 113  -8.980   3.144 -12.492
  782    H    LEU 114           H        LEU 114  -0.257   2.085 -13.709
  783    HA   LEU 114           HA       LEU 114   0.610   4.935 -13.588
  784    HB2  LEU 114           HB2      LEU 114   1.681   2.550 -11.997
  785    HB3  LEU 114           HB3      LEU 114   2.434   4.131 -12.094
  786    HG   LEU 114           HG       LEU 114   1.483   4.048 -10.000
  787   HD11  LEU 114          HD11      LEU 114  -0.577   5.601 -11.588
  788   HD12  LEU 114          HD12      LEU 114  -0.063   5.856  -9.902
  789   HD13  LEU 114          HD13      LEU 114   1.076   6.146 -11.229
  790   HD21  LEU 114          HD21      LEU 114  -0.049   2.117 -10.347
  791   HD22  LEU 114          HD22      LEU 114  -0.746   3.433  -9.380
  792   HD23  LEU 114          HD23      LEU 114  -1.235   3.234 -11.062
  793    H    LYS 115           H        LYS 115   3.025   4.992 -14.283
  794    HA   LYS 115           HA       LYS 115   3.920   2.685 -15.808
  795    HB2  LYS 115           HB2      LYS 115   2.216   4.156 -17.232
  796    HB3  LYS 115           HB3      LYS 115   3.630   5.150 -17.515
  797    HG2  LYS 115           HG2      LYS 115   4.526   3.646 -18.961
  798    HG3  LYS 115           HG3      LYS 115   4.270   2.288 -17.879
  799    HD2  LYS 115           HD2      LYS 115   2.175   3.485 -19.711
  800    HD3  LYS 115           HD3      LYS 115   3.099   2.007 -20.018
  801    HE2  LYS 115           HE2      LYS 115   2.105   0.983 -17.951
  802    HE3  LYS 115           HE3      LYS 115   1.134   2.438 -17.715
  803    HZ1  LYS 115           HZ1      LYS 115   0.953   0.503 -19.942
  804    HZ2  LYS 115           HZ2      LYS 115  -0.217   0.887 -18.873
  805    HZ3  LYS 115           HZ3      LYS 115   0.232   1.994 -20.010
  806    H    SER 116           H        SER 116   4.905   5.165 -13.883
  807    HA   SER 116           HA       SER 116   7.651   4.233 -14.335
  808    HB2  SER 116           HB2      SER 116   6.912   7.140 -14.792
  809    HB3  SER 116           HB3      SER 116   8.539   6.640 -14.320
  810    HG   SER 116           HG       SER 116   7.167   5.599 -16.549
  811    H    LEU 117           H        LEU 117   9.195   5.002 -12.660
  812    HA   LEU 117           HA       LEU 117   7.981   5.415 -10.021
  813    HB2  LEU 117           HB2      LEU 117  10.853   5.612 -11.024
  814    HB3  LEU 117           HB3      LEU 117  10.377   5.993  -9.384
  815    HG   LEU 117           HG       LEU 117  11.289   3.910  -9.241
  816   HD11  LEU 117          HD11      LEU 117   8.313   3.295  -9.303
  817   HD12  LEU 117          HD12      LEU 117   9.566   2.463  -8.363
  818   HD13  LEU 117          HD13      LEU 117   9.153   4.141  -7.982
  819   HD21  LEU 117          HD21      LEU 117  11.315   3.224 -11.589
  820   HD22  LEU 117          HD22      LEU 117  10.790   1.931 -10.505
  821   HD23  LEU 117          HD23      LEU 117   9.584   2.801 -11.484
  822    H    ASP 118           H        ASP 118   8.700   7.541 -12.645
  823    HA   ASP 118           HA       ASP 118   9.468   9.879 -11.280
  824    HB2  ASP 118           HB2      ASP 118   9.696   9.422 -13.724
  825    HB3  ASP 118           HB3      ASP 118   7.958   9.680 -13.913
  826    H    GLU 119           H        GLU 119   6.086   8.821 -12.078
  827    HA   GLU 119           HA       GLU 119   4.852  11.104 -10.883
  828    HB2  GLU 119           HB2      GLU 119   2.845   9.618 -10.722
  829    HB3  GLU 119           HB3      GLU 119   3.533   9.780 -12.318
  830    HG2  GLU 119           HG2      GLU 119   4.517   7.433 -10.716
  831    HG3  GLU 119           HG3      GLU 119   2.817   7.421 -11.160
  832    H    VAL 120           H        VAL 120   6.624   8.657  -9.257
  833    HA   VAL 120           HA       VAL 120   5.180   9.202  -6.692
  834    HB   VAL 120           HB       VAL 120   5.563   6.884  -6.011
  835   HG11  VAL 120          HG11      VAL 120   3.953   7.059  -8.569
  836   HG12  VAL 120          HG12      VAL 120   3.842   5.805  -7.325
  837   HG13  VAL 120          HG13      VAL 120   3.385   7.464  -6.944
  838   HG21  VAL 120          HG21      VAL 120   7.492   6.339  -7.544
  839   HG22  VAL 120          HG22      VAL 120   6.193   5.135  -7.578
  840   HG23  VAL 120          HG23      VAL 120   6.329   6.307  -8.896
  841    H    LYS 121           H        LYS 121   7.746  10.226  -7.966
  842    HA   LYS 121           HA       LYS 121   9.976   9.557  -6.353
  843    HB2  LYS 121           HB2      LYS 121  10.996  11.477  -7.486
  844    HB3  LYS 121           HB3      LYS 121  10.029  10.516  -8.606
  845    HG2  LYS 121           HG2      LYS 121   8.127  12.172  -8.273
  846    HG3  LYS 121           HG3      LYS 121   9.215  13.183  -7.331
  847    HD2  LYS 121           HD2      LYS 121  10.614  13.631  -9.232
  848    HD3  LYS 121           HD3      LYS 121   9.915  12.272 -10.137
  849    HE2  LYS 121           HE2      LYS 121   7.658  13.464  -9.954
  850    HE3  LYS 121           HE3      LYS 121   8.556  14.908  -9.431
  851    HZ1  LYS 121           HZ1      LYS 121   9.103  13.424 -11.940
  852    HZ2  LYS 121           HZ2      LYS 121   8.092  14.721 -11.883
  853    HZ3  LYS 121           HZ3      LYS 121   9.698  14.889 -11.528
  854    H    ASP 122           H        ASP 122   7.585  10.437  -4.749
  855    HA   ASP 122           HA       ASP 122   8.850  11.914  -2.615
  856    HB2  ASP 122           HB2      ASP 122   8.359  13.738  -4.315
  857    HB3  ASP 122           HB3      ASP 122   6.652  13.358  -4.153
  858    H    LYS 123           H        LYS 123   7.376   9.385  -3.096
  859    HA   LYS 123           HA       LYS 123   4.963   9.740  -1.378
  860    HB2  LYS 123           HB2      LYS 123   5.071   8.278  -4.043
  861    HB3  LYS 123           HB3      LYS 123   3.707   8.280  -2.916
  862    HG2  LYS 123           HG2      LYS 123   3.604  10.783  -3.112
  863    HG3  LYS 123           HG3      LYS 123   4.800  10.685  -4.422
  864    HD2  LYS 123           HD2      LYS 123   3.292   9.233  -5.720
  865    HD3  LYS 123           HD3      LYS 123   2.145   9.189  -4.399
  866    HE2  LYS 123           HE2      LYS 123   1.281  10.674  -5.936
  867    HE3  LYS 123           HE3      LYS 123   1.868  11.672  -4.595
  868    HZ1  LYS 123           HZ1      LYS 123   3.279  11.251  -7.184
  869    HZ2  LYS 123           HZ2      LYS 123   2.541  12.646  -6.695
  870    HZ3  LYS 123           HZ3      LYS 123   3.872  12.108  -5.917
  871    H    ALA 124           H        ALA 124   3.964   7.630  -0.765
  872    HA   ALA 124           HA       ALA 124   6.022   5.547  -0.150
  873    HB1  ALA 124           HB1      ALA 124   3.616   6.445   1.497
  874    HB2  ALA 124           HB2      ALA 124   4.741   5.137   1.923
  875    HB3  ALA 124           HB3      ALA 124   5.321   6.807   1.851
  876    H    LEU 125           H        LEU 125   5.344   3.429   0.005
  877    HA   LEU 125           HA       LEU 125   2.851   2.575  -1.430
  878    HB2  LEU 125           HB2      LEU 125   5.527   1.195  -1.004
  879    HB3  LEU 125           HB3      LEU 125   4.131   0.420  -1.729
  880    HG   LEU 125           HG       LEU 125   4.893   2.977  -3.062
  881   HD11  LEU 125          HD11      LEU 125   6.807   0.609  -3.059
  882   HD12  LEU 125          HD12      LEU 125   6.879   1.979  -4.197
  883   HD13  LEU 125          HD13      LEU 125   7.125   2.249  -2.462
  884   HD21  LEU 125          HD21      LEU 125   3.249   1.299  -3.973
  885   HD22  LEU 125          HD22      LEU 125   4.556   1.743  -5.090
  886   HD23  LEU 125          HD23      LEU 125   4.622   0.192  -4.244
  887    H    MET 126           H        MET 126   1.440   1.361  -0.176
  888    HA   MET 126           HA       MET 126   2.307   0.668   2.618
  889    HB2  MET 126           HB2      MET 126  -0.211   2.048   1.670
  890    HB3  MET 126           HB3      MET 126  -0.266   0.969   3.065
  891    HG2  MET 126           HG2      MET 126   0.076   3.097   3.966
  892    HG3  MET 126           HG3      MET 126   1.592   2.215   4.127
  893    HE1  MET 126           HE1      MET 126   2.858   4.143   4.780
  894    HE2  MET 126           HE2      MET 126   3.051   5.663   3.912
  895    HE3  MET 126           HE3      MET 126   1.498   5.281   4.699
  896    H    ILE 127           H        ILE 127   1.801  -1.242   3.408
  897    HA   ILE 127           HA       ILE 127   0.227  -3.111   1.672
  898    HB   ILE 127           HB       ILE 127   1.964  -4.431   3.654
  899   HG12  ILE 127          HG12      ILE 127   3.355  -3.193   1.243
  900   HG13  ILE 127          HG13      ILE 127   3.598  -2.677   2.912
  901   HG21  ILE 127          HG21      ILE 127   1.536  -4.733   0.646
  902   HG22  ILE 127          HG22      ILE 127   2.190  -5.972   1.735
  903   HG23  ILE 127          HG23      ILE 127   0.500  -5.478   1.866
  904   HD11  ILE 127          HD11      ILE 127   4.371  -5.343   1.692
  905   HD12  ILE 127          HD12      ILE 127   5.403  -4.132   2.463
  906   HD13  ILE 127          HD13      ILE 127   4.290  -5.087   3.453
  907    H    HIS 128           H        HIS 128  -1.359  -4.169   2.423
  908    HA   HIS 128           HA       HIS 128  -2.539  -3.123   4.929
  909    HB2  HIS 128           HB2      HIS 128  -3.081  -2.890   2.030
  910    HB3  HIS 128           HB3      HIS 128  -4.501  -3.212   2.897
  911    HD1  HIS 128           HD1      HIS 128  -5.331  -1.175   4.532
  912    HD2  HIS 128           HD2      HIS 128  -1.889  -0.595   2.238
  913    HE1  HIS 128           HE1      HIS 128  -5.021   1.337   4.391
  914    H    VAL 129           H        VAL 129  -3.920  -4.381   6.117
  915    HA   VAL 129           HA       VAL 129  -2.731  -6.901   6.267
  916    HB   VAL 129           HB       VAL 129  -3.363  -5.323   8.117
  917   HG11  VAL 129          HG11      VAL 129  -6.012  -6.834   8.114
  918   HG12  VAL 129          HG12      VAL 129  -5.470  -5.630   9.292
  919   HG13  VAL 129          HG13      VAL 129  -5.800  -5.146   7.616
  920   HG21  VAL 129          HG21      VAL 129  -2.329  -7.536   8.483
  921   HG22  VAL 129          HG22      VAL 129  -3.398  -7.041   9.806
  922   HG23  VAL 129          HG23      VAL 129  -3.946  -8.259   8.643
  923    H    GLY 130           H        GLY 130  -5.722  -6.190   4.775
  924    HA2  GLY 130           HA2      GLY 130  -5.940  -9.030   4.013
  925    HA3  GLY 130           HA3      GLY 130  -7.420  -8.218   4.541
  926    H    GLY 131           H        GLY 131  -7.227  -9.146   1.928
  927    HA2  GLY 131           HA2      GLY 131  -6.802  -7.092  -0.016
  928    HA3  GLY 131           HA3      GLY 131  -7.964  -8.423  -0.139
  929    H    ASP 132           H        ASP 132  -8.263  -5.692  -0.975
  930    HA   ASP 132           HA       ASP 132  -9.542  -4.239   1.307
  931    HB2  ASP 132           HB2      ASP 132  -7.129  -4.101   1.128
  932    HB3  ASP 132           HB3      ASP 132  -7.217  -3.708  -0.583
  933    H    ASN 133           H        ASN 133  -9.695  -4.687  -2.138
  934    HA   ASN 133           HA       ASN 133 -10.700  -2.144  -2.950
  935    HB2  ASN 133           HB2      ASN 133 -10.964  -3.345  -5.138
  936    HB3  ASN 133           HB3      ASN 133  -9.372  -3.467  -4.404
  937   HD21  ASN 133          HD21      ASN 133 -12.457  -5.302  -4.742
  938   HD22  ASN 133          HD22      ASN 133 -11.660  -6.877  -4.643
  939    H    MET 134           H        MET 134 -12.426  -2.680  -0.952
  940    HA   MET 134           HA       MET 134 -15.029  -3.551  -2.155
  941    HB2  MET 134           HB2      MET 134 -13.988  -3.349   0.687
  942    HB3  MET 134           HB3      MET 134 -15.705  -3.570   0.324
  943    HG2  MET 134           HG2      MET 134 -15.322  -5.659  -0.776
  944    HG3  MET 134           HG3      MET 134 -13.574  -5.439  -0.781
  945    HE1  MET 134           HE1      MET 134 -12.283  -4.928   1.658
  946    HE2  MET 134           HE2      MET 134 -12.300  -6.451   2.569
  947    HE3  MET 134           HE3      MET 134 -12.033  -6.476   0.825
  948    H    SER 135           H        SER 135 -16.611  -2.156  -2.543
  949    HA   SER 135           HA       SER 135 -16.377   0.685  -1.854
  950    HB2  SER 135           HB2      SER 135 -18.354   0.683  -3.529
  951    HB3  SER 135           HB3      SER 135 -16.758   0.203  -4.127
  952    HG   SER 135           HG       SER 135 -19.059  -1.398  -3.696
  953    H    ASP 136           H        ASP 136 -18.658  -1.986  -1.260
  954    HA   ASP 136           HA       ASP 136 -20.762  -0.205  -0.424
  955    HB2  ASP 136           HB2      ASP 136 -20.489  -3.207  -0.838
  956    HB3  ASP 136           HB3      ASP 136 -21.985  -2.463  -0.296
  957    H    GLN 137           H        GLN 137 -18.328  -1.155   1.455
  958    HA   GLN 137           HA       GLN 137 -19.898  -2.085   3.788
  959    HB2  GLN 137           HB2      GLN 137 -16.969  -2.093   3.066
  960    HB3  GLN 137           HB3      GLN 137 -17.398  -2.001   4.770
  961    HG2  GLN 137           HG2      GLN 137 -17.043  -4.317   4.153
  962    HG3  GLN 137           HG3      GLN 137 -18.702  -4.048   4.659
  963   HE21  GLN 137          HE21      GLN 137 -16.693  -5.278   2.041
  964   HE22  GLN 137          HE22      GLN 137 -18.080  -5.573   0.997
  965    HA   PRO 138           HA       PRO 138 -20.338   1.950   5.374
  966    HB2  PRO 138           HB2      PRO 138 -20.577   1.560   8.097
  967    HB3  PRO 138           HB3      PRO 138 -21.823   1.112   6.894
  968    HG2  PRO 138           HG2      PRO 138 -19.719  -0.675   8.138
  969    HG3  PRO 138           HG3      PRO 138 -21.475  -0.992   7.938
  970    HD2  PRO 138           HD2      PRO 138 -19.654  -1.981   6.188
  971    HD3  PRO 138           HD3      PRO 138 -21.239  -1.373   5.620
  972    H    LYS 139           H        LYS 139 -17.819   0.096   7.188
  973    HA   LYS 139           HA       LYS 139 -16.117   2.526   7.239
  974    HB2  LYS 139           HB2      LYS 139 -15.654  -0.325   8.177
  975    HB3  LYS 139           HB3      LYS 139 -14.374   0.899   8.059
  976    HG2  LYS 139           HG2      LYS 139 -15.779   2.347   9.619
  977    HG3  LYS 139           HG3      LYS 139 -16.754   0.903   9.942
  978    HD2  LYS 139           HD2      LYS 139 -13.720   1.101  10.291
  979    HD3  LYS 139           HD3      LYS 139 -14.876   1.343  11.595
  980    HE2  LYS 139           HE2      LYS 139 -15.568  -0.923  11.609
  981    HE3  LYS 139           HE3      LYS 139 -14.853  -1.266  10.033
  982    HZ1  LYS 139           HZ1      LYS 139 -13.112  -0.456  12.277
  983    HZ2  LYS 139           HZ2      LYS 139 -13.590  -2.027  12.110
  984    HZ3  LYS 139           HZ3      LYS 139 -12.730  -1.321  10.927
  985    HA   PRO 140           HA       PRO 140 -14.685   1.395   3.136
  986    HB2  PRO 140           HB2      PRO 140 -12.489   3.000   2.868
  987    HB3  PRO 140           HB3      PRO 140 -14.160   3.645   2.896
  988    HG2  PRO 140           HG2      PRO 140 -12.204   3.452   5.214
  989    HG3  PRO 140           HG3      PRO 140 -13.149   4.883   4.682
  990    HD2  PRO 140           HD2      PRO 140 -14.002   3.268   6.702
  991    HD3  PRO 140           HD3      PRO 140 -15.161   3.988   5.541
  992    H    LEU 141           H        LEU 141 -12.698   0.515   2.063
  993    HA   LEU 141           HA       LEU 141 -11.068  -1.067   1.855
  994    HB2  LEU 141           HB2      LEU 141 -10.153  -0.578   4.697
  995    HB3  LEU 141           HB3      LEU 141  -9.239  -1.155   3.317
  996    HG   LEU 141           HG       LEU 141 -10.213   1.678   3.834
  997   HD11  LEU 141          HD11      LEU 141  -7.419   0.490   3.592
  998   HD12  LEU 141          HD12      LEU 141  -7.808   2.199   3.894
  999   HD13  LEU 141          HD13      LEU 141  -8.225   0.969   5.101
 1000   HD21  LEU 141          HD21      LEU 141 -10.379   1.251   1.396
 1001   HD22  LEU 141          HD22      LEU 141  -9.075   2.369   1.785
 1002   HD23  LEU 141          HD23      LEU 141  -8.700   0.674   1.390
 1003    H    GLY 142           H        GLY 142 -13.695  -1.757   2.702
 1004    HA2  GLY 142           HA2      GLY 142 -14.918  -3.636   3.329
 1005    HA3  GLY 142           HA3      GLY 142 -13.400  -4.473   3.727
 1006    H    GLY 143           H        GLY 143 -13.118  -1.702   5.402
 1007    HA2  GLY 143           HA2      GLY 143 -13.547  -1.035   7.557
 1008    HA3  GLY 143           HA3      GLY 143 -14.624  -2.444   7.822
 1009    H    GLY 144           H        GLY 144 -12.295  -4.146   6.744
 1010    HA2  GLY 144           HA2      GLY 144 -10.763  -4.373   9.296
 1011    HA3  GLY 144           HA3      GLY 144 -10.988  -5.634   8.066
 1012    H    GLY 145           H        GLY 145 -10.243  -3.053   6.202
 1013    HA2  GLY 145           HA2      GLY 145  -7.642  -4.019   5.593
 1014    HA3  GLY 145           HA3      GLY 145  -8.439  -2.609   4.878
 1015    H    THR 146           H        THR 146  -7.326  -3.208   8.234
 1016    HA   THR 146           HA       THR 146  -5.877  -0.771   8.615
 1017    HB   THR 146           HB       THR 146  -5.608  -3.484   9.985
 1018    HG1  THR 146           HG1      THR 146  -7.253  -2.741  11.254
 1019   HG21  THR 146          HG21      THR 146  -4.834  -0.674  10.898
 1020   HG22  THR 146          HG22      THR 146  -4.994  -2.070  11.980
 1021   HG23  THR 146          HG23      THR 146  -3.758  -2.092  10.725
 1022    H    ARG 147           H        ARG 147  -3.443  -0.576   8.802
 1023    HA   ARG 147           HA       ARG 147  -2.088  -1.965   6.575
 1024    HB2  ARG 147           HB2      ARG 147  -0.136  -0.491   7.184
 1025    HB3  ARG 147           HB3      ARG 147  -1.569   0.244   6.503
 1026    HG2  ARG 147           HG2      ARG 147  -0.601   1.642   8.222
 1027    HG3  ARG 147           HG3      ARG 147  -2.239   1.160   8.647
 1028    HD2  ARG 147           HD2      ARG 147  -1.393  -0.451  10.265
 1029    HD3  ARG 147           HD3      ARG 147   0.283  -0.120   9.790
 1030    HE   ARG 147           HE       ARG 147  -0.219   2.277  10.553
 1031   HH11  ARG 147          HH11      ARG 147  -1.748  -0.519  12.207
 1032   HH12  ARG 147          HH12      ARG 147  -2.251   0.513  13.529
 1033   HH21  ARG 147          HH21      ARG 147  -0.801   3.398  12.363
 1034   HH22  ARG 147          HH22      ARG 147  -1.727   2.573  13.639
 1035    H    TYR 148           H        TYR 148  -0.238  -3.245   6.704
 1036    HA   TYR 148           HA       TYR 148   0.750  -3.879   9.462
 1037    HB2  TYR 148           HB2      TYR 148   1.982  -5.777   8.688
 1038    HB3  TYR 148           HB3      TYR 148   0.282  -6.084   8.540
 1039    HD1  TYR 148           HD1      TYR 148  -0.563  -5.125   5.958
 1040    HD2  TYR 148           HD2      TYR 148   2.904  -7.386   7.229
 1041    HE1  TYR 148           HE1      TYR 148  -0.466  -6.258   3.772
 1042    HE2  TYR 148           HE2      TYR 148   2.949  -8.493   5.117
 1043    HH   TYR 148           HH       TYR 148   2.005  -8.699   2.977
 1044    H    ALA 149           H        ALA 149   1.620  -2.527   6.248
 1045    HA   ALA 149           HA       ALA 149   4.084  -1.438   7.505
 1046    HB1  ALA 149           HB1      ALA 149   3.997  -3.279   5.091
 1047    HB2  ALA 149           HB2      ALA 149   5.421  -2.338   5.565
 1048    HB3  ALA 149           HB3      ALA 149   4.784  -3.588   6.648
 1049    H    CYS 150           H        CYS 150   5.167   0.134   6.517
 1050    HA   CYS 150           HA       CYS 150   3.951   1.810   4.375
 1051    HB2  CYS 150           HB2      CYS 150   4.375   2.872   6.627
 1052    HB3  CYS 150           HB3      CYS 150   6.065   2.416   6.484
 1053    H    GLY 151           H        GLY 151   6.004   2.990   3.352
 1054    HA2  GLY 151           HA2      GLY 151   8.516   1.828   2.954
 1055    HA3  GLY 151           HA3      GLY 151   7.485   1.156   1.697
 1056    H    VAL 152           H        VAL 152   8.953   4.063   2.945
 1057    HA   VAL 152           HA       VAL 152   7.951   5.917   0.952
 1058    HB   VAL 152           HB       VAL 152  10.384   6.092   2.773
 1059   HG11  VAL 152          HG11      VAL 152   9.147   8.251   1.001
 1060   HG12  VAL 152          HG12      VAL 152  10.338   8.548   2.286
 1061   HG13  VAL 152          HG13      VAL 152  10.794   7.592   0.879
 1062   HG21  VAL 152          HG21      VAL 152   8.239   6.066   3.968
 1063   HG22  VAL 152          HG22      VAL 152   8.953   7.680   4.046
 1064   HG23  VAL 152          HG23      VAL 152   7.606   7.356   2.930
 1065    H    ILE 153           H        ILE 153   8.701   6.417  -1.028
 1066    HA   ILE 153           HA       ILE 153  10.462   4.481  -2.313
 1067    HB   ILE 153           HB       ILE 153   8.904   6.877  -3.347
 1068   HG12  ILE 153          HG12      ILE 153   8.356   3.903  -3.720
 1069   HG13  ILE 153          HG13      ILE 153   7.662   4.796  -2.375
 1070   HG21  ILE 153          HG21      ILE 153  10.367   4.709  -4.932
 1071   HG22  ILE 153          HG22      ILE 153   9.283   5.933  -5.624
 1072   HG23  ILE 153          HG23      ILE 153  10.789   6.436  -4.879
 1073   HD11  ILE 153          HD11      ILE 153   7.150   5.287  -5.309
 1074   HD12  ILE 153          HD12      ILE 153   6.022   4.658  -4.105
 1075   HD13  ILE 153          HD13      ILE 153   6.567   6.338  -3.988
 1076    H    LYS 154           H        LYS 154  12.548   4.652  -2.828
 1077    HA   LYS 154           HA       LYS 154  13.931   7.286  -2.784
 1078    HB2  LYS 154           HB2      LYS 154  14.783   4.908  -1.067
 1079    HB3  LYS 154           HB3      LYS 154  15.611   6.462  -1.211
 1080    HG2  LYS 154           HG2      LYS 154  13.614   7.580  -0.176
 1081    HG3  LYS 154           HG3      LYS 154  12.873   5.983   0.023
 1082    HD2  LYS 154           HD2      LYS 154  14.936   5.305   1.370
 1083    HD3  LYS 154           HD3      LYS 154  15.389   7.026   1.357
 1084    HE2  LYS 154           HE2      LYS 154  13.061   7.526   2.286
 1085    HE3  LYS 154           HE3      LYS 154  12.814   5.782   2.443
 1086    HZ1  LYS 154           HZ1      LYS 154  14.856   7.417   3.838
 1087    HZ2  LYS 154           HZ2      LYS 154  13.564   6.705   4.523
 1088    HZ3  LYS 154           HZ3      LYS 154  14.803   5.782   3.967
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1  11.396   0.269 -15.488
    2    H2   ALA   1           H2       ALA   1  12.601  -0.815 -15.399
    3    H3   ALA   1           H3       ALA   1  12.613   0.320 -16.599
    4    HA   ALA   1           HA       ALA   1  14.226   0.925 -14.979
    5    HB1  ALA   1           HB1      ALA   1  11.724   2.675 -14.805
    6    HB2  ALA   1           HB2      ALA   1  13.363   3.161 -14.330
    7    HB3  ALA   1           HB3      ALA   1  13.008   2.794 -16.029
    8    H    SER   2           H        SER   2  14.919   0.487 -12.879
    9    HA   SER   2           HA       SER   2  12.920  -0.812 -11.153
   10    HB2  SER   2           HB2      SER   2  15.237  -1.459  -9.993
   11    HB3  SER   2           HB3      SER   2  14.583  -2.346 -11.354
   12    HG   SER   2           HG       SER   2  16.867  -1.717 -11.546
   13    H    GLU   3           H        GLU   3  12.609  -0.426  -9.038
   14    HA   GLU   3           HA       GLU   3  14.480   1.186  -7.494
   15    HB2  GLU   3           HB2      GLU   3  13.023   2.993  -8.263
   16    HB3  GLU   3           HB3      GLU   3  11.584   2.060  -7.799
   17    HG2  GLU   3           HG2      GLU   3  11.859   3.724  -6.173
   18    HG3  GLU   3           HG3      GLU   3  12.343   2.214  -5.384
   19    H    LYS   4           H        LYS   4  14.853  -0.088  -5.731
   20    HA   LYS   4           HA       LYS   4  12.798  -2.011  -4.880
   21    HB2  LYS   4           HB2      LYS   4  15.035  -2.801  -5.630
   22    HB3  LYS   4           HB3      LYS   4  15.818  -1.737  -4.439
   23    HG2  LYS   4           HG2      LYS   4  14.518  -2.912  -2.655
   24    HG3  LYS   4           HG3      LYS   4  13.981  -4.076  -3.871
   25    HD2  LYS   4           HD2      LYS   4  16.840  -3.576  -2.892
   26    HD3  LYS   4           HD3      LYS   4  15.820  -4.942  -2.491
   27    HE2  LYS   4           HE2      LYS   4  17.047  -5.968  -4.072
   28    HE3  LYS   4           HE3      LYS   4  15.777  -5.339  -5.124
   29    HZ1  LYS   4           HZ1      LYS   4  18.409  -4.044  -4.612
   30    HZ2  LYS   4           HZ2      LYS   4  18.044  -4.927  -5.948
   31    HZ3  LYS   4           HZ3      LYS   4  17.283  -3.489  -5.666
   32    H    VAL   5           H        VAL   5  11.472  -1.273  -3.260
   33    HA   VAL   5           HA       VAL   5  12.525   0.905  -1.516
   34    HB   VAL   5           HB       VAL   5   9.672   0.002  -2.014
   35   HG11  VAL   5          HG11      VAL   5  10.807   2.224  -0.248
   36   HG12  VAL   5          HG12      VAL   5   9.104   2.116  -0.728
   37   HG13  VAL   5          HG13      VAL   5   9.812   0.844   0.270
   38   HG21  VAL   5          HG21      VAL   5  10.610   1.197  -3.935
   39   HG22  VAL   5          HG22      VAL   5   9.503   2.268  -3.078
   40   HG23  VAL   5          HG23      VAL   5  11.249   2.476  -2.874
   41    H    GLY   6           H        GLY   6  13.081   0.541   0.467
   42    HA2  GLY   6           HA2      GLY   6  12.760  -1.991   1.872
   43    HA3  GLY   6           HA3      GLY   6  13.451  -0.476   2.514
   44    H    MET   7           H        MET   7  10.889  -2.581   2.639
   45    HA   MET   7           HA       MET   7   8.940  -0.593   3.719
   46    HB2  MET   7           HB2      MET   7   8.736  -3.494   2.846
   47    HB3  MET   7           HB3      MET   7   7.470  -2.685   3.812
   48    HG2  MET   7           HG2      MET   7   7.437  -0.868   2.133
   49    HG3  MET   7           HG3      MET   7   8.500  -1.820   1.082
   50    HE1  MET   7           HE1      MET   7   6.183  -0.979  -0.467
   51    HE2  MET   7           HE2      MET   7   4.563  -1.620  -0.090
   52    HE3  MET   7           HE3      MET   7   5.361  -0.517   1.043
   53    H    ASN   8           H        ASN   8   8.584  -0.326   5.771
   54    HA   ASN   8           HA       ASN   8   9.793  -2.177   7.790
   55    HB2  ASN   8           HB2      ASN   8   9.260   0.797   7.745
   56    HB3  ASN   8           HB3      ASN   8   9.402  -0.094   9.282
   57   HD21  ASN   8          HD21      ASN   8  11.443   0.264  10.125
   58   HD22  ASN   8          HD22      ASN   8  12.901   0.053   9.135
   59    H    LEU   9           H        LEU   9   8.591  -2.789   9.559
   60    HA   LEU   9           HA       LEU   9   5.762  -3.280   9.193
   61    HB2  LEU   9           HB2      LEU   9   7.617  -3.536  11.599
   62    HB3  LEU   9           HB3      LEU   9   6.021  -4.243  11.513
   63    HG   LEU   9           HG       LEU   9   8.266  -4.993   9.568
   64   HD11  LEU   9          HD11      LEU   9   7.447  -6.422  12.121
   65   HD12  LEU   9          HD12      LEU   9   8.603  -7.018  10.905
   66   HD13  LEU   9          HD13      LEU   9   8.983  -5.565  11.836
   67   HD21  LEU   9          HD21      LEU   9   6.000  -5.494   8.735
   68   HD22  LEU   9          HD22      LEU   9   6.874  -6.978   9.134
   69   HD23  LEU   9          HD23      LEU   9   5.631  -6.360  10.246
   70    H    VAL  10           H        VAL  10   3.984  -2.213  10.186
   71    HA   VAL  10           HA       VAL  10   4.583   0.177  11.878
   72    HB   VAL  10           HB       VAL  10   3.117   1.645  10.726
   73   HG11  VAL  10          HG11      VAL  10   4.898   0.438   8.576
   74   HG12  VAL  10          HG12      VAL  10   4.330   2.113   8.699
   75   HG13  VAL  10          HG13      VAL  10   5.481   1.483   9.886
   76   HG21  VAL  10          HG21      VAL  10   1.377   0.209   9.866
   77   HG22  VAL  10          HG22      VAL  10   2.067   1.119   8.528
   78   HG23  VAL  10          HG23      VAL  10   2.513  -0.586   8.748
   79    H    THR  11           H        THR  11   2.812   0.963  13.165
   80    HA   THR  11           HA       THR  11   0.367  -0.610  13.450
   81    HB   THR  11           HB       THR  11   1.769  -2.326  14.233
   82    HG1  THR  11           HG1      THR  11   0.568  -0.878  16.317
   83   HG21  THR  11          HG21      THR  11   2.992  -0.351  16.219
   84   HG22  THR  11          HG22      THR  11   3.220  -2.111  16.226
   85   HG23  THR  11          HG23      THR  11   3.823  -1.153  14.870
   86    H    ALA  12           H        ALA  12   0.252   1.905  13.087
   87    HA   ALA  12           HA       ALA  12  -0.802   3.827  13.795
   88    HB1  ALA  12           HB1      ALA  12  -1.356   2.323  16.369
   89    HB2  ALA  12           HB2      ALA  12  -2.157   3.785  15.770
   90    HB3  ALA  12           HB3      ALA  12  -2.334   2.258  14.893
   91    H    GLN  13           H        GLN  13   1.552   2.669  16.175
   92    HA   GLN  13           HA       GLN  13   2.081   5.305  17.280
   93    HB2  GLN  13           HB2      GLN  13   3.605   2.652  17.303
   94    HB3  GLN  13           HB3      GLN  13   4.088   4.113  18.181
   95    HG2  GLN  13           HG2      GLN  13   2.480   2.015  19.125
   96    HG3  GLN  13           HG3      GLN  13   3.023   3.486  19.961
   97   HE21  GLN  13          HE21      GLN  13   0.323   1.994  18.170
   98   HE22  GLN  13          HE22      GLN  13  -0.711   3.407  18.453
   99    H    GLY  14           H        GLY  14   3.245   3.669  14.411
  100    HA2  GLY  14           HA2      GLY  14   4.322   5.416  12.847
  101    HA3  GLY  14           HA3      GLY  14   5.546   5.536  14.136
  102    H    VAL  15           H        VAL  15   7.015   4.935  12.538
  103    HA   VAL  15           HA       VAL  15   6.956   2.396  11.150
  104    HB   VAL  15           HB       VAL  15   9.258   4.383  11.392
  105   HG11  VAL  15          HG11      VAL  15   8.587   2.280   9.292
  106   HG12  VAL  15          HG12      VAL  15   9.955   3.411   9.207
  107   HG13  VAL  15          HG13      VAL  15   9.920   2.174  10.465
  108   HG21  VAL  15          HG21      VAL  15   7.358   5.607  10.516
  109   HG22  VAL  15          HG22      VAL  15   8.479   5.268   9.198
  110   HG23  VAL  15          HG23      VAL  15   6.996   4.297   9.364
  111    H    GLY  16           H        GLY  16   7.772   0.517  11.817
  112    HA2  GLY  16           HA2      GLY  16   9.461   0.285  14.251
  113    HA3  GLY  16           HA3      GLY  16   8.641  -1.009  13.323
  114    H    GLN  17           H        GLN  17  10.132  -2.372  12.824
  115    HA   GLN  17           HA       GLN  17  12.591  -1.441  11.399
  116    HB2  GLN  17           HB2      GLN  17  13.695  -3.443  12.024
  117    HB3  GLN  17           HB3      GLN  17  13.117  -2.664  13.483
  118    HG2  GLN  17           HG2      GLN  17  11.607  -4.355  13.981
  119    HG3  GLN  17           HG3      GLN  17  11.319  -4.777  12.281
  120   HE21  GLN  17          HE21      GLN  17  13.256  -5.833  11.058
  121   HE22  GLN  17          HE22      GLN  17  14.220  -6.906  12.069
  122    H    SER  18           H        SER  18  13.365  -3.173   9.749
  123    HA   SER  18           HA       SER  18  11.024  -4.103   8.146
  124    HB2  SER  18           HB2      SER  18  12.251  -2.417   7.028
  125    HB3  SER  18           HB3      SER  18  13.807  -3.204   7.365
  126    HG   SER  18           HG       SER  18  11.790  -3.786   5.508
  127    H    ILE  19           H        ILE  19  10.828  -6.198   7.609
  128    HA   ILE  19           HA       ILE  19  13.169  -8.050   7.684
  129    HB   ILE  19           HB       ILE  19  10.230  -8.625   8.184
  130   HG12  ILE  19          HG12      ILE  19  11.386  -7.543  10.092
  131   HG13  ILE  19          HG13      ILE  19  10.864  -9.179  10.447
  132   HG21  ILE  19          HG21      ILE  19  12.539 -10.521   7.806
  133   HG22  ILE  19          HG22      ILE  19  11.292 -10.938   8.984
  134   HG23  ILE  19          HG23      ILE  19  10.826 -10.663   7.314
  135   HD11  ILE  19          HD11      ILE  19  13.721  -8.367   9.674
  136   HD12  ILE  19          HD12      ILE  19  13.161  -8.750  11.322
  137   HD13  ILE  19          HD13      ILE  19  13.213 -10.005  10.083
  138    H    GLY  20           H        GLY  20  12.171  -6.134   5.630
  139    HA2  GLY  20           HA2      GLY  20  13.394  -7.376   3.783
  140    HA3  GLY  20           HA3      GLY  20  11.800  -7.990   3.334
  141    H    THR  21           H        THR  21  12.888  -6.714   1.329
  142    HA   THR  21           HA       THR  21  11.674  -3.975   1.233
  143    HB   THR  21           HB       THR  21  13.084  -3.387  -0.521
  144    HG1  THR  21           HG1      THR  21  13.799  -6.128  -0.711
  145   HG21  THR  21          HG21      THR  21  14.960  -5.136   1.111
  146   HG22  THR  21          HG22      THR  21  15.346  -3.674   0.190
  147   HG23  THR  21          HG23      THR  21  14.358  -3.560   1.655
  148    H    VAL  22           H        VAL  22  10.908  -3.572  -1.096
  149    HA   VAL  22           HA       VAL  22   9.865  -5.989  -2.448
  150    HB   VAL  22           HB       VAL  22   8.214  -3.423  -2.186
  151   HG11  VAL  22          HG11      VAL  22   7.828  -6.031  -3.695
  152   HG12  VAL  22          HG12      VAL  22   6.505  -4.973  -3.355
  153   HG13  VAL  22          HG13      VAL  22   7.839  -4.390  -4.366
  154   HG21  VAL  22          HG21      VAL  22   8.058  -4.699  -0.104
  155   HG22  VAL  22          HG22      VAL  22   6.552  -4.880  -1.014
  156   HG23  VAL  22          HG23      VAL  22   7.743  -6.196  -1.000
  157    H    VAL  23           H        VAL  23  10.303  -5.943  -4.622
  158    HA   VAL  23           HA       VAL  23  11.772  -3.548  -5.592
  159    HB   VAL  23           HB       VAL  23  12.837  -5.690  -5.877
  160   HG11  VAL  23          HG11      VAL  23  10.670  -6.490  -7.756
  161   HG12  VAL  23          HG12      VAL  23  12.302  -7.187  -7.739
  162   HG13  VAL  23          HG13      VAL  23  11.328  -7.309  -6.291
  163   HG21  VAL  23          HG21      VAL  23  13.331  -3.698  -7.318
  164   HG22  VAL  23          HG22      VAL  23  13.677  -5.237  -8.120
  165   HG23  VAL  23          HG23      VAL  23  12.201  -4.340  -8.531
  166    H    ILE  24           H        ILE  24  10.910  -2.052  -6.880
  167    HA   ILE  24           HA       ILE  24   8.503  -2.770  -8.474
  168    HB   ILE  24           HB       ILE  24   9.573   0.024  -7.959
  169   HG12  ILE  24          HG12      ILE  24   7.495  -1.601  -6.502
  170   HG13  ILE  24          HG13      ILE  24   8.575  -0.513  -5.799
  171   HG21  ILE  24          HG21      ILE  24   7.013  -1.032  -9.269
  172   HG22  ILE  24          HG22      ILE  24   7.478   0.680  -9.119
  173   HG23  ILE  24          HG23      ILE  24   8.405  -0.367 -10.150
  174   HD11  ILE  24          HD11      ILE  24   6.090   0.287  -7.295
  175   HD12  ILE  24          HD12      ILE  24   6.531   0.544  -5.606
  176   HD13  ILE  24          HD13      ILE  24   7.395   1.432  -6.884
  177    H    ASP  25           H        ASP  25   8.810  -3.101 -10.604
  178    HA   ASP  25           HA       ASP  25  10.969  -1.536 -11.936
  179    HB2  ASP  25           HB2      ASP  25  11.607  -3.838 -12.115
  180    HB3  ASP  25           HB3      ASP  25  10.002  -4.301 -12.755
  181    H    GLU  26           H        GLU  26  10.169  -0.007 -13.232
  182    HA   GLU  26           HA       GLU  26   7.434   0.105 -14.162
  183    HB2  GLU  26           HB2      GLU  26   9.513   1.894 -13.913
  184    HB3  GLU  26           HB3      GLU  26   9.650   1.525 -15.638
  185    HG2  GLU  26           HG2      GLU  26   7.190   2.439 -14.148
  186    HG3  GLU  26           HG3      GLU  26   8.255   3.427 -15.151
  187    H    THR  27           H        THR  27   6.598  -1.127 -15.813
  188    HA   THR  27           HA       THR  27   8.412  -1.773 -18.033
  189    HB   THR  27           HB       THR  27   8.634  -3.735 -16.682
  190    HG1  THR  27           HG1      THR  27   8.570  -4.441 -18.659
  191   HG21  THR  27          HG21      THR  27   5.604  -3.865 -16.575
  192   HG22  THR  27          HG22      THR  27   6.681  -5.237 -16.201
  193   HG23  THR  27          HG23      THR  27   6.769  -3.776 -15.224
  194    H    GLU  28           H        GLU  28   6.810  -3.101 -19.746
  195    HA   GLU  28           HA       GLU  28   5.271  -0.930 -20.794
  196    HB2  GLU  28           HB2      GLU  28   4.426  -2.538 -22.451
  197    HB3  GLU  28           HB3      GLU  28   6.190  -2.525 -22.265
  198    HG2  GLU  28           HG2      GLU  28   5.897  -4.613 -20.766
  199    HG3  GLU  28           HG3      GLU  28   4.244  -4.682 -21.389
  200    H    GLY  29           H        GLY  29   4.260  -3.816 -19.027
  201    HA2  GLY  29           HA2      GLY  29   1.510  -2.865 -18.699
  202    HA3  GLY  29           HA3      GLY  29   2.202  -4.362 -17.997
  203    H    GLY  30           H        GLY  30   3.876  -1.445 -17.451
  204    HA2  GLY  30           HA2      GLY  30   3.816   0.271 -15.802
  205    HA3  GLY  30           HA3      GLY  30   2.386  -0.476 -15.106
  206    H    LEU  31           H        LEU  31   2.925  -0.435 -13.038
  207    HA   LEU  31           HA       LEU  31   5.671  -0.972 -12.203
  208    HB2  LEU  31           HB2      LEU  31   3.197  -0.429 -10.516
  209    HB3  LEU  31           HB3      LEU  31   4.881  -0.413  -9.962
  210    HG   LEU  31           HG       LEU  31   3.548   1.515 -11.900
  211   HD11  LEU  31          HD11      LEU  31   4.840   1.945  -9.164
  212   HD12  LEU  31          HD12      LEU  31   4.085   3.200 -10.167
  213   HD13  LEU  31          HD13      LEU  31   3.092   1.897  -9.490
  214   HD21  LEU  31          HD21      LEU  31   5.761   1.239 -12.776
  215   HD22  LEU  31          HD22      LEU  31   5.725   2.767 -11.886
  216   HD23  LEU  31          HD23      LEU  31   6.478   1.331 -11.155
  217    H    LYS  32           H        LYS  32   6.309  -2.949 -12.513
  218    HA   LYS  32           HA       LYS  32   4.982  -5.371 -11.577
  219    HB2  LYS  32           HB2      LYS  32   6.471  -5.431 -13.462
  220    HB3  LYS  32           HB3      LYS  32   7.744  -4.621 -12.596
  221    HG2  LYS  32           HG2      LYS  32   8.667  -6.459 -11.888
  222    HG3  LYS  32           HG3      LYS  32   7.168  -7.042 -11.138
  223    HD2  LYS  32           HD2      LYS  32   7.754  -7.233 -14.113
  224    HD3  LYS  32           HD3      LYS  32   8.130  -8.544 -12.966
  225    HE2  LYS  32           HE2      LYS  32   5.932  -9.043 -12.519
  226    HE3  LYS  32           HE3      LYS  32   5.419  -7.347 -12.701
  227    HZ1  LYS  32           HZ1      LYS  32   6.107  -9.116 -14.979
  228    HZ2  LYS  32           HZ2      LYS  32   4.579  -8.841 -14.469
  229    HZ3  LYS  32           HZ3      LYS  32   5.483  -7.605 -15.085
  230    H    PHE  33           H        PHE  33   4.608  -5.556  -9.465
  231    HA   PHE  33           HA       PHE  33   6.540  -4.633  -7.443
  232    HB2  PHE  33           HB2      PHE  33   3.941  -4.133  -7.667
  233    HB3  PHE  33           HB3      PHE  33   3.750  -5.729  -6.939
  234    HD1  PHE  33           HD1      PHE  33   5.733  -2.634  -6.513
  235    HD2  PHE  33           HD2      PHE  33   3.389  -5.652  -4.591
  236    HE1  PHE  33           HE1      PHE  33   6.102  -1.488  -4.308
  237    HE2  PHE  33           HE2      PHE  33   3.642  -4.459  -2.416
  238    HZ   PHE  33           HZ       PHE  33   5.037  -2.419  -2.262
  239    H    THR  34           H        THR  34   8.122  -6.281  -7.015
  240    HA   THR  34           HA       THR  34   7.009  -9.028  -6.533
  241    HB   THR  34           HB       THR  34   9.875  -8.478  -7.245
  242    HG1  THR  34           HG1      THR  34   9.285  -9.083  -9.291
  243   HG21  THR  34          HG21      THR  34   8.120 -10.975  -7.251
  244   HG22  THR  34          HG22      THR  34   9.809 -10.895  -7.796
  245   HG23  THR  34          HG23      THR  34   9.418 -10.615  -6.092
  246    HA   PRO  35           HA       PRO  35   8.410  -7.744  -2.403
  247    HB2  PRO  35           HB2      PRO  35   6.830  -9.360  -0.910
  248    HB3  PRO  35           HB3      PRO  35   6.132  -7.994  -1.845
  249    HG2  PRO  35           HG2      PRO  35   6.309 -10.913  -2.643
  250    HG3  PRO  35           HG3      PRO  35   4.858  -9.865  -2.691
  251    HD2  PRO  35           HD2      PRO  35   6.451 -10.348  -4.864
  252    HD3  PRO  35           HD3      PRO  35   5.627  -8.771  -4.617
  253    H    HIS  36           H        HIS  36   9.501  -8.783  -0.572
  254    HA   HIS  36           HA       HIS  36  10.169 -11.637  -0.881
  255    HB2  HIS  36           HB2      HIS  36  12.428 -11.470  -1.313
  256    HB3  HIS  36           HB3      HIS  36  11.779 -10.161  -2.291
  257    HD1  HIS  36           HD1      HIS  36  14.069 -10.764   0.649
  258    HD2  HIS  36           HD2      HIS  36  12.277  -7.616  -1.435
  259    HE1  HIS  36           HE1      HIS  36  15.370  -8.677   1.356
  260    H    LEU  37           H        LEU  37   8.793  -9.939   1.152
  261    HA   LEU  37           HA       LEU  37  10.568  -9.922   3.492
  262    HB2  LEU  37           HB2      LEU  37   7.580  -9.357   3.515
  263    HB3  LEU  37           HB3      LEU  37   8.817  -8.906   4.700
  264    HG   LEU  37           HG       LEU  37   9.765  -7.594   2.474
  265   HD11  LEU  37          HD11      LEU  37   6.717  -7.523   2.281
  266   HD12  LEU  37          HD12      LEU  37   7.841  -6.465   1.415
  267   HD13  LEU  37          HD13      LEU  37   7.828  -8.201   1.069
  268   HD21  LEU  37          HD21      LEU  37   9.476  -6.649   4.704
  269   HD22  LEU  37          HD22      LEU  37   8.775  -5.562   3.492
  270   HD23  LEU  37          HD23      LEU  37   7.710  -6.579   4.484
  271    H    LYS  38           H        LYS  38  10.400 -11.194   5.345
  272    HA   LYS  38           HA       LYS  38   8.964 -13.784   4.815
  273    HB2  LYS  38           HB2      LYS  38  10.872 -14.983   5.726
  274    HB3  LYS  38           HB3      LYS  38  11.271 -13.986   4.351
  275    HG2  LYS  38           HG2      LYS  38  11.962 -12.229   6.271
  276    HG3  LYS  38           HG3      LYS  38  12.004 -13.690   7.287
  277    HD2  LYS  38           HD2      LYS  38  14.215 -13.279   6.434
  278    HD3  LYS  38           HD3      LYS  38  13.574 -14.679   5.532
  279    HE2  LYS  38           HE2      LYS  38  12.833 -13.145   3.715
  280    HE3  LYS  38           HE3      LYS  38  13.397 -11.763   4.654
  281    HZ1  LYS  38           HZ1      LYS  38  15.073 -13.937   3.484
  282    HZ2  LYS  38           HZ2      LYS  38  15.144 -12.339   3.076
  283    HZ3  LYS  38           HZ3      LYS  38  15.680 -12.859   4.540
  284    H    ALA  39           H        ALA  39   7.672 -11.907   6.297
  285    HA   ALA  39           HA       ALA  39   7.249 -13.197   8.904
  286    HB1  ALA  39           HB1      ALA  39   8.651 -10.500   8.640
  287    HB2  ALA  39           HB2      ALA  39   8.076 -11.212  10.171
  288    HB3  ALA  39           HB3      ALA  39   9.361 -12.010   9.248
  289    H    LEU  40           H        LEU  40   5.306 -12.994   7.026
  290    HA   LEU  40           HA       LEU  40   3.477 -11.114   8.335
  291    HB2  LEU  40           HB2      LEU  40   2.639 -11.008   5.567
  292    HB3  LEU  40           HB3      LEU  40   2.968  -9.839   6.756
  293    HG   LEU  40           HG       LEU  40   5.523 -10.047   5.965
  294   HD11  LEU  40          HD11      LEU  40   4.157 -11.624   3.764
  295   HD12  LEU  40          HD12      LEU  40   5.811 -10.971   3.697
  296   HD13  LEU  40          HD13      LEU  40   5.405 -12.207   4.876
  297   HD21  LEU  40          HD21      LEU  40   4.038  -8.159   5.299
  298   HD22  LEU  40          HD22      LEU  40   5.122  -8.637   3.982
  299   HD23  LEU  40          HD23      LEU  40   3.416  -9.133   3.948
  300    HA   PRO  41           HA       PRO  41   0.998 -14.331   8.298
  301    HB2  PRO  41           HB2      PRO  41  -1.666 -13.449   8.256
  302    HB3  PRO  41           HB3      PRO  41  -0.547 -13.223   9.628
  303    HG2  PRO  41           HG2      PRO  41  -1.094 -11.331   7.369
  304    HG3  PRO  41           HG3      PRO  41  -1.139 -10.982   9.131
  305    HD2  PRO  41           HD2      PRO  41   1.092 -10.409   7.764
  306    HD3  PRO  41           HD3      PRO  41   1.175 -11.288   9.335
  307    HA   PRO  42           HA       PRO  42   0.797 -15.625   4.224
  308    HB2  PRO  42           HB2      PRO  42   0.303 -18.224   4.411
  309    HB3  PRO  42           HB3      PRO  42   1.451 -17.466   5.541
  310    HG2  PRO  42           HG2      PRO  42  -1.537 -17.828   6.081
  311    HG3  PRO  42           HG3      PRO  42  -0.197 -18.591   6.982
  312    HD2  PRO  42           HD2      PRO  42  -1.175 -16.191   7.775
  313    HD3  PRO  42           HD3      PRO  42   0.597 -16.481   7.781
  314    H    GLY  43           H        GLY  43  -1.560 -14.177   4.599
  315    HA2  GLY  43           HA2      GLY  43  -3.559 -15.595   2.904
  316    HA3  GLY  43           HA3      GLY  43  -3.964 -14.343   4.102
  317    H    GLU  44           H        GLU  44  -5.146 -13.501   2.347
  318    HA   GLU  44           HA       GLU  44  -3.789 -12.018   0.230
  319    HB2  GLU  44           HB2      GLU  44  -6.725 -11.864   1.011
  320    HB3  GLU  44           HB3      GLU  44  -5.967 -11.416  -0.513
  321    HG2  GLU  44           HG2      GLU  44  -6.784 -13.421  -1.169
  322    HG3  GLU  44           HG3      GLU  44  -5.257 -14.031  -0.498
  323    H    HIS  45           H        HIS  45  -3.426  -9.832   0.119
  324    HA   HIS  45           HA       HIS  45  -4.222  -8.079   2.414
  325    HB2  HIS  45           HB2      HIS  45  -1.451  -8.452   1.209
  326    HB3  HIS  45           HB3      HIS  45  -1.834  -7.290   2.464
  327    HD1  HIS  45           HD1      HIS  45  -3.298  -8.990   4.623
  328    HD2  HIS  45           HD2      HIS  45  -0.471 -10.617   1.983
  329    HE1  HIS  45           HE1      HIS  45  -2.590 -11.230   5.634
  330    HE2  HIS  45           HE2      HIS  45  -0.737 -12.164   4.087
  331    H    GLY  46           H        GLY  46  -4.683  -5.975   1.758
  332    HA2  GLY  46           HA2      GLY  46  -4.719  -5.258  -0.989
  333    HA3  GLY  46           HA3      GLY  46  -4.851  -4.111   0.368
  334    H    PHE  47           H        PHE  47  -3.458  -3.517  -2.038
  335    HA   PHE  47           HA       PHE  47  -1.001  -2.533  -0.765
  336    HB2  PHE  47           HB2      PHE  47   0.167  -4.101  -1.797
  337    HB3  PHE  47           HB3      PHE  47  -1.029  -4.376  -3.072
  338    HD1  PHE  47           HD1      PHE  47   1.506  -1.720  -2.059
  339    HD2  PHE  47           HD2      PHE  47  -0.159  -4.193  -5.156
  340    HE1  PHE  47           HE1      PHE  47   3.142  -0.767  -3.748
  341    HE2  PHE  47           HE2      PHE  47   1.425  -3.203  -6.814
  342    HZ   PHE  47           HZ       PHE  47   3.000  -1.438  -6.097
  343    H    HIS  48           H        HIS  48  -1.328  -0.325  -0.907
  344    HA   HIS  48           HA       HIS  48  -1.976   0.667  -3.665
  345    HB2  HIS  48           HB2      HIS  48  -2.886   2.490  -1.496
  346    HB3  HIS  48           HB3      HIS  48  -3.575   2.206  -3.073
  347    HD2  HIS  48           HD2      HIS  48  -5.322  -0.092  -3.160
  348    HE1  HIS  48           HE1      HIS  48  -6.272   0.214   0.945
  349    HE2  HIS  48           HE2      HIS  48  -6.974  -0.726  -1.282
  350    H    ILE  49           H        ILE  49  -1.471   2.889  -4.108
  351    HA   ILE  49           HA       ILE  49   0.887   4.064  -2.688
  352    HB   ILE  49           HB       ILE  49  -0.344   4.719  -5.369
  353   HG12  ILE  49          HG12      ILE  49   2.536   3.877  -4.948
  354   HG13  ILE  49          HG13      ILE  49   1.292   2.617  -4.942
  355   HG21  ILE  49          HG21      ILE  49   2.031   6.022  -3.928
  356   HG22  ILE  49          HG22      ILE  49   1.602   6.311  -5.623
  357   HG23  ILE  49          HG23      ILE  49   0.507   6.822  -4.356
  358   HD11  ILE  49          HD11      ILE  49   1.715   4.570  -7.227
  359   HD12  ILE  49          HD12      ILE  49   2.268   2.880  -7.161
  360   HD13  ILE  49          HD13      ILE  49   0.533   3.245  -7.162
  361    H    HIS  50           H        HIS  50   0.791   6.139  -1.914
  362    HA   HIS  50           HA       HIS  50  -1.902   7.293  -1.438
  363    HB2  HIS  50           HB2      HIS  50   0.245   6.652   0.619
  364    HB3  HIS  50           HB3      HIS  50  -0.985   7.890   0.859
  365    HD1  HIS  50           HD1      HIS  50  -2.673   7.100   2.428
  366    HD2  HIS  50           HD2      HIS  50  -1.445   4.114  -0.232
  367    HE1  HIS  50           HE1      HIS  50  -4.108   5.032   2.988
  368    H    ALA  51           H        ALA  51  -1.737   9.612  -0.805
  369    HA   ALA  51           HA       ALA  51  -0.485  10.787  -3.047
  370    HB1  ALA  51           HB1      ALA  51  -1.794  12.160  -0.654
  371    HB2  ALA  51           HB2      ALA  51  -1.573  12.856  -2.268
  372    HB3  ALA  51           HB3      ALA  51  -2.666  11.475  -2.048
  373    H    ASN  52           H        ASN  52   0.902  10.538   0.074
  374    HA   ASN  52           HA       ASN  52   3.170  12.338  -0.703
  375    HB2  ASN  52           HB2      ASN  52   1.645  12.303   1.930
  376    HB3  ASN  52           HB3      ASN  52   3.219  13.068   1.737
  377   HD21  ASN  52          HD21      ASN  52  -0.111  13.683   1.608
  378   HD22  ASN  52          HD22      ASN  52  -0.017  15.148   0.633
  379    H    GLY  53           H        GLY  53   5.133  12.003   0.645
  380    HA2  GLY  53           HA2      GLY  53   5.614   9.089   1.179
  381    HA3  GLY  53           HA3      GLY  53   6.798  10.284   0.617
  382    H    SER  54           H        SER  54   4.885   9.274   3.426
  383    HA   SER  54           HA       SER  54   7.013   9.715   5.334
  384    HB2  SER  54           HB2      SER  54   4.777  11.765   5.230
  385    HB3  SER  54           HB3      SER  54   5.746  11.468   6.671
  386    HG   SER  54           HG       SER  54   7.064  12.007   4.256
  387    H    CYS  55           H        CYS  55   6.383   7.461   5.746
  388    HA   CYS  55           HA       CYS  55   3.880   6.553   6.528
  389    HB2  CYS  55           HB2      CYS  55   6.620   5.544   7.368
  390    HB3  CYS  55           HB3      CYS  55   5.134   4.627   7.347
  391    H    GLN  56           H        GLN  56   3.897   8.867   8.018
  392    HA   GLN  56           HA       GLN  56   4.475   8.077  10.843
  393    HB2  GLN  56           HB2      GLN  56   4.767  10.738   9.409
  394    HB3  GLN  56           HB3      GLN  56   4.683  10.603  11.162
  395    HG2  GLN  56           HG2      GLN  56   6.983  10.710  10.615
  396    HG3  GLN  56           HG3      GLN  56   6.658   9.064  11.137
  397   HE21  GLN  56          HE21      GLN  56   7.210   7.342   9.631
  398   HE22  GLN  56          HE22      GLN  56   7.862   7.739   8.056
  399    HA   PRO  57           HA       PRO  57   0.105   8.947  11.508
  400    HB2  PRO  57           HB2      PRO  57  -0.091   8.346  14.135
  401    HB3  PRO  57           HB3      PRO  57   0.382   7.086  12.964
  402    HG2  PRO  57           HG2      PRO  57   2.258   8.823  14.625
  403    HG3  PRO  57           HG3      PRO  57   2.203   7.036  14.560
  404    HD2  PRO  57           HD2      PRO  57   3.893   8.422  12.978
  405    HD3  PRO  57           HD3      PRO  57   3.029   6.967  12.369
  406    H    ALA  58           H        ALA  58  -1.238  10.368  12.864
  407    HA   ALA  58           HA       ALA  58   0.185  12.643  14.174
  408    HB1  ALA  58           HB1      ALA  58  -2.762  12.308  13.445
  409    HB2  ALA  58           HB2      ALA  58  -2.047  13.707  14.272
  410    HB3  ALA  58           HB3      ALA  58  -1.580  13.338  12.604
  411    H    ILE  59           H        ILE  59  -0.091  12.937  16.391
  412    HA   ILE  59           HA       ILE  59  -1.383  10.722  17.968
  413    HB   ILE  59           HB       ILE  59   0.836  12.607  18.864
  414   HG12  ILE  59          HG12      ILE  59   1.853  11.191  17.202
  415   HG13  ILE  59          HG13      ILE  59   2.390  10.719  18.800
  416   HG21  ILE  59          HG21      ILE  59  -0.420  10.150  20.161
  417   HG22  ILE  59          HG22      ILE  59   1.019  10.997  20.767
  418   HG23  ILE  59          HG23      ILE  59  -0.536  11.831  20.711
  419   HD11  ILE  59          HD11      ILE  59   0.316   9.248  17.120
  420   HD12  ILE  59          HD12      ILE  59   1.993   8.756  17.397
  421   HD13  ILE  59          HD13      ILE  59   0.849   8.761  18.749
  422    H    LYS  60           H        LYS  60  -3.245  11.320  18.881
  423    HA   LYS  60           HA       LYS  60  -3.887  14.027  19.798
  424    HB2  LYS  60           HB2      LYS  60  -3.818  14.323  17.369
  425    HB3  LYS  60           HB3      LYS  60  -4.886  12.941  17.127
  426    HG2  LYS  60           HG2      LYS  60  -6.775  14.134  18.020
  427    HG3  LYS  60           HG3      LYS  60  -5.743  15.449  18.631
  428    HD2  LYS  60           HD2      LYS  60  -5.142  16.132  16.387
  429    HD3  LYS  60           HD3      LYS  60  -5.955  14.726  15.670
  430    HE2  LYS  60           HE2      LYS  60  -8.134  15.543  16.316
  431    HE3  LYS  60           HE3      LYS  60  -7.429  16.823  17.307
  432    HZ1  LYS  60           HZ1      LYS  60  -7.006  16.690  14.373
  433    HZ2  LYS  60           HZ2      LYS  60  -8.214  17.568  15.073
  434    HZ3  LYS  60           HZ3      LYS  60  -6.633  17.918  15.374
  435    H    ASP  61           H        ASP  61  -5.918  14.091  20.896
  436    HA   ASP  61           HA       ASP  61  -7.650  13.285  22.137
  437    HB2  ASP  61           HB2      ASP  61  -8.432  12.973  19.762
  438    HB3  ASP  61           HB3      ASP  61  -8.003  11.271  19.876
  439    H    GLY  62           H        GLY  62  -4.917  11.912  22.514
  440    HA2  GLY  62           HA2      GLY  62  -4.120  10.367  24.084
  441    HA3  GLY  62           HA3      GLY  62  -5.783   9.797  24.363
  442    H    GLN  63           H        GLN  63  -4.872   9.832  21.032
  443    HA   GLN  63           HA       GLN  63  -4.040   6.993  20.989
  444    HB2  GLN  63           HB2      GLN  63  -5.851   6.527  19.327
  445    HB3  GLN  63           HB3      GLN  63  -6.437   6.833  20.957
  446    HG2  GLN  63           HG2      GLN  63  -7.113   9.113  20.348
  447    HG3  GLN  63           HG3      GLN  63  -6.461   8.906  18.716
  448   HE21  GLN  63          HE21      GLN  63  -9.385   9.322  19.938
  449   HE22  GLN  63          HE22      GLN  63 -10.246   8.110  19.018
  450    H    ALA  64           H        ALA  64  -3.624   6.333  18.552
  451    HA   ALA  64           HA       ALA  64  -2.340   8.654  17.186
  452    HB1  ALA  64           HB1      ALA  64  -1.529   5.728  17.133
  453    HB2  ALA  64           HB2      ALA  64  -0.652   7.130  16.464
  454    HB3  ALA  64           HB3      ALA  64  -0.820   6.944  18.215
  455    H    VAL  65           H        VAL  65  -2.450   8.799  14.994
  456    HA   VAL  65           HA       VAL  65  -4.757   7.436  13.674
  457    HB   VAL  65           HB       VAL  65  -3.195   9.907  12.816
  458   HG11  VAL  65          HG11      VAL  65  -5.824   8.735  11.774
  459   HG12  VAL  65          HG12      VAL  65  -5.115  10.287  11.278
  460   HG13  VAL  65          HG13      VAL  65  -4.289   8.778  10.885
  461   HG21  VAL  65          HG21      VAL  65  -4.432  10.363  14.890
  462   HG22  VAL  65          HG22      VAL  65  -5.223  11.159  13.530
  463   HG23  VAL  65          HG23      VAL  65  -5.907   9.659  14.193
  464    H    ALA  66           H        ALA  66  -3.973   5.513  13.062
  465    HA   ALA  66           HA       ALA  66  -2.395   3.938  12.208
  466    HB1  ALA  66           HB1      ALA  66  -3.987   5.216   9.949
  467    HB2  ALA  66           HB2      ALA  66  -3.256   3.588   9.918
  468    HB3  ALA  66           HB3      ALA  66  -4.539   3.971  11.074
  469    H    ALA  67           H        ALA  67  -2.252   6.051   9.456
  470    HA   ALA  67           HA       ALA  67   0.219   7.237  10.075
  471    HB1  ALA  67           HB1      ALA  67   0.288   5.409   7.626
  472    HB2  ALA  67           HB2      ALA  67   1.511   6.616   8.057
  473    HB3  ALA  67           HB3      ALA  67   1.245   5.217   9.111
  474    H    GLU  68           H        GLU  68   0.130   9.241   9.224
  475    HA   GLU  68           HA       GLU  68  -2.337   9.986   7.682
  476    HB2  GLU  68           HB2      GLU  68  -2.525  10.539  10.014
  477    HB3  GLU  68           HB3      GLU  68  -0.871  11.118  10.078
  478    HG2  GLU  68           HG2      GLU  68  -2.201  13.006  10.254
  479    HG3  GLU  68           HG3      GLU  68  -1.512  13.082   8.649
  480    H    ALA  69           H        ALA  69   1.097  10.966   8.362
  481    HA   ALA  69           HA       ALA  69   1.071  13.127   6.484
  482    HB1  ALA  69           HB1      ALA  69   3.391  11.553   7.684
  483    HB2  ALA  69           HB2      ALA  69   3.506  13.146   6.907
  484    HB3  ALA  69           HB3      ALA  69   2.598  12.965   8.421
  485    H    ALA  70           H        ALA  70   1.124   9.825   5.839
  486    HA   ALA  70           HA       ALA  70   2.498   9.916   3.261
  487    HB1  ALA  70           HB1      ALA  70   0.716   7.819   4.587
  488    HB2  ALA  70           HB2      ALA  70   1.674   7.584   3.112
  489    HB3  ALA  70           HB3      ALA  70   2.495   7.872   4.654
  490    H    GLY  71           H        GLY  71  -0.626  10.950   4.297
  491    HA2  GLY  71           HA2      GLY  71  -2.237  11.941   2.884
  492    HA3  GLY  71           HA3      GLY  71  -1.539  11.146   1.479
  493    H    GLY  72           H        GLY  72  -4.198  11.134   1.655
  494    HA2  GLY  72           HA2      GLY  72  -5.207   8.511   2.524
  495    HA3  GLY  72           HA3      GLY  72  -6.016   9.675   1.462
  496    H    HIS  73           H        HIS  73  -6.451   7.345   0.561
  497    HA   HIS  73           HA       HIS  73  -4.628   5.995  -1.200
  498    HB2  HIS  73           HB2      HIS  73  -7.593   6.608  -1.397
  499    HB3  HIS  73           HB3      HIS  73  -6.724   5.747  -2.658
  500    HD2  HIS  73           HD2      HIS  73  -6.340   4.910   1.090
  501    HE1  HIS  73           HE1      HIS  73  -8.457   1.673  -0.647
  502    HE2  HIS  73           HE2      HIS  73  -7.386   2.566   1.467
  503    H    LEU  74           H        LEU  74  -3.856   6.491  -3.257
  504    HA   LEU  74           HA       LEU  74  -3.600   9.214  -3.832
  505    HB2  LEU  74           HB2      LEU  74  -2.347   6.830  -4.550
  506    HB3  LEU  74           HB3      LEU  74  -2.966   7.340  -6.058
  507    HG   LEU  74           HG       LEU  74  -0.853   8.510  -4.330
  508   HD11  LEU  74          HD11      LEU  74  -1.042   8.407  -7.371
  509   HD12  LEU  74          HD12      LEU  74   0.411   8.507  -6.345
  510   HD13  LEU  74          HD13      LEU  74  -0.540   7.011  -6.417
  511   HD21  LEU  74          HD21      LEU  74  -2.135  10.534  -4.614
  512   HD22  LEU  74          HD22      LEU  74  -0.667  10.531  -5.589
  513   HD23  LEU  74          HD23      LEU  74  -2.247  10.244  -6.374
  514    H    ASP  75           H        ASP  75  -5.377  10.419  -4.271
  515    HA   ASP  75           HA       ASP  75  -6.327  10.415  -7.056
  516    HB2  ASP  75           HB2      ASP  75  -8.123   9.256  -5.911
  517    HB3  ASP  75           HB3      ASP  75  -8.162  10.461  -4.625
  518    HA   PRO  76           HA       PRO  76  -5.395  14.720  -5.908
  519    HB2  PRO  76           HB2      PRO  76  -5.873  15.968  -8.303
  520    HB3  PRO  76           HB3      PRO  76  -4.410  14.999  -7.962
  521    HG2  PRO  76           HG2      PRO  76  -6.943  14.101  -9.376
  522    HG3  PRO  76           HG3      PRO  76  -5.242  13.889  -9.908
  523    HD2  PRO  76           HD2      PRO  76  -6.568  11.908  -8.627
  524    HD3  PRO  76           HD3      PRO  76  -4.846  12.219  -8.279
  525    H    GLN  77           H        GLN  77  -8.495  13.814  -7.523
  526    HA   GLN  77           HA       GLN  77 -10.304  15.156  -5.993
  527    HB2  GLN  77           HB2      GLN  77 -10.838  17.302  -7.140
  528    HB3  GLN  77           HB3      GLN  77  -9.416  17.303  -6.178
  529    HG2  GLN  77           HG2      GLN  77  -8.393  16.674  -8.722
  530    HG3  GLN  77           HG3      GLN  77  -9.751  17.727  -9.095
  531   HE21  GLN  77          HE21      GLN  77  -7.192  17.674  -6.494
  532   HE22  GLN  77          HE22      GLN  77  -6.660  19.322  -6.824
  533    H    ASN  78           H        ASN  78 -10.145  12.856  -7.785
  534    HA   ASN  78           HA       ASN  78 -12.246  13.301  -9.789
  535    HB2  ASN  78           HB2      ASN  78 -11.029  10.764  -8.617
  536    HB3  ASN  78           HB3      ASN  78 -12.303  10.789  -9.830
  537   HD21  ASN  78          HD21      ASN  78  -8.895  11.637  -9.247
  538   HD22  ASN  78          HD22      ASN  78  -8.488  11.727 -10.973
  539    H    THR  79           H        THR  79 -12.033  11.954  -6.487
  540    HA   THR  79           HA       THR  79 -14.428  12.999  -5.493
  541    HB   THR  79           HB       THR  79 -15.817  11.731  -6.929
  542    HG1  THR  79           HG1      THR  79 -16.302  11.715  -4.662
  543   HG21  THR  79          HG21      THR  79 -14.269   9.233  -6.115
  544   HG22  THR  79          HG22      THR  79 -15.774   9.265  -7.048
  545   HG23  THR  79          HG23      THR  79 -14.303   9.964  -7.733
  546    H    GLY  80           H        GLY  80 -12.108  10.347  -5.297
  547    HA2  GLY  80           HA2      GLY  80 -10.920   9.655  -3.474
  548    HA3  GLY  80           HA3      GLY  80 -11.886  10.710  -2.426
  549    H    LYS  81           H        LYS  81 -14.025   8.605  -4.094
  550    HA   LYS  81           HA       LYS  81 -14.301   7.146  -1.541
  551    HB2  LYS  81           HB2      LYS  81 -16.582   7.010  -1.931
  552    HB3  LYS  81           HB3      LYS  81 -16.050   8.658  -2.250
  553    HG2  LYS  81           HG2      LYS  81 -16.086   8.105  -4.729
  554    HG3  LYS  81           HG3      LYS  81 -16.834   6.554  -4.316
  555    HD2  LYS  81           HD2      LYS  81 -17.935   9.347  -3.772
  556    HD3  LYS  81           HD3      LYS  81 -18.544   8.185  -4.959
  557    HE2  LYS  81           HE2      LYS  81 -19.160   6.633  -3.105
  558    HE3  LYS  81           HE3      LYS  81 -18.545   7.806  -1.927
  559    HZ1  LYS  81           HZ1      LYS  81 -20.820   8.277  -3.765
  560    HZ2  LYS  81           HZ2      LYS  81 -20.913   8.043  -2.128
  561    HZ3  LYS  81           HZ3      LYS  81 -20.224   9.382  -2.706
  562    H    HIS  82           H        HIS  82 -12.600   6.089  -3.894
  563    HA   HIS  82           HA       HIS  82 -11.599   4.078  -4.012
  564    HB2  HIS  82           HB2      HIS  82 -12.495   3.795  -1.659
  565    HB3  HIS  82           HB3      HIS  82 -13.775   2.808  -2.351
  566    HD2  HIS  82           HD2      HIS  82 -13.257   0.419  -1.690
  567    HE1  HIS  82           HE1      HIS  82  -9.115   0.142  -2.453
  568    HE2  HIS  82           HE2      HIS  82 -11.116  -1.080  -1.645
  569    H    GLU  83           H        GLU  83 -11.850   1.720  -4.842
  570    HA   GLU  83           HA       GLU  83 -13.693   1.759  -7.178
  571    HB2  GLU  83           HB2      GLU  83 -11.870   2.117  -8.700
  572    HB3  GLU  83           HB3      GLU  83 -11.889   3.408  -7.520
  573    HG2  GLU  83           HG2      GLU  83  -9.914   1.127  -7.776
  574    HG3  GLU  83           HG3      GLU  83  -9.612   2.855  -7.916
  575    H    GLY  84           H        GLY  84 -11.317  -0.142  -5.383
  576    HA2  GLY  84           HA2      GLY  84 -10.462  -2.036  -6.887
  577    HA3  GLY  84           HA3      GLY  84 -11.046  -2.452  -5.284
  578    HA   PRO  85           HA       PRO  85 -14.037  -5.063  -7.360
  579    HB2  PRO  85           HB2      PRO  85 -16.496  -4.765  -6.269
  580    HB3  PRO  85           HB3      PRO  85 -15.084  -5.222  -5.284
  581    HG2  PRO  85           HG2      PRO  85 -16.334  -2.476  -5.599
  582    HG3  PRO  85           HG3      PRO  85 -15.807  -3.288  -4.096
  583    HD2  PRO  85           HD2      PRO  85 -14.310  -1.440  -5.532
  584    HD3  PRO  85           HD3      PRO  85 -13.588  -2.666  -4.460
  585    H    GLU  86           H        GLU  86 -14.572  -1.732  -8.062
  586    HA   GLU  86           HA       GLU  86 -16.600  -2.226 -10.168
  587    HB2  GLU  86           HB2      GLU  86 -17.044  -0.499  -7.691
  588    HB3  GLU  86           HB3      GLU  86 -18.053  -0.443  -9.145
  589    HG2  GLU  86           HG2      GLU  86 -18.690  -2.793  -8.842
  590    HG3  GLU  86           HG3      GLU  86 -17.684  -2.915  -7.401
  591    H    GLY  87           H        GLY  87 -16.313   1.004  -8.928
  592    HA2  GLY  87           HA2      GLY  87 -13.874   1.942  -9.623
  593    HA3  GLY  87           HA3      GLY  87 -14.615   1.842 -11.201
  594    H    GLN  88           H        GLN  88 -14.507   3.609  -8.180
  595    HA   GLN  88           HA       GLN  88 -15.507   5.980  -9.524
  596    HB2  GLN  88           HB2      GLN  88 -17.587   4.707  -8.701
  597    HB3  GLN  88           HB3      GLN  88 -17.016   4.987  -7.064
  598    HG2  GLN  88           HG2      GLN  88 -18.752   6.587  -7.719
  599    HG3  GLN  88           HG3      GLN  88 -17.251   7.434  -7.405
  600   HE21  GLN  88          HE21      GLN  88 -16.308   8.664  -9.139
  601   HE22  GLN  88          HE22      GLN  88 -17.072   8.725 -10.723
  602    H    GLY  89           H        GLY  89 -12.941   5.517  -8.721
  603    HA2  GLY  89           HA2      GLY  89 -12.517   7.137  -6.280
  604    HA3  GLY  89           HA3      GLY  89 -12.123   5.439  -6.176
  605    H    HIS  90           H        HIS  90 -10.020   5.119  -6.243
  606    HA   HIS  90           HA       HIS  90  -8.418   7.453  -6.914
  607    HB2  HIS  90           HB2      HIS  90  -7.623   4.902  -5.539
  608    HB3  HIS  90           HB3      HIS  90  -6.908   6.475  -5.284
  609    HD2  HIS  90           HD2      HIS  90  -8.981   8.329  -4.157
  610    HE1  HIS  90           HE1      HIS  90 -10.452   5.246  -1.638
  611    HE2  HIS  90           HE2      HIS  90 -10.393   7.753  -2.064
  612    H    LEU  91           H        LEU  91  -6.422   7.479  -8.093
  613    HA   LEU  91           HA       LEU  91  -6.259   5.359 -10.144
  614    HB2  LEU  91           HB2      LEU  91  -5.169   6.720 -11.526
  615    HB3  LEU  91           HB3      LEU  91  -6.186   7.841 -10.673
  616    HG   LEU  91           HG       LEU  91  -4.167   8.896 -11.125
  617   HD11  LEU  91          HD11      LEU  91  -3.795   8.162  -8.220
  618   HD12  LEU  91          HD12      LEU  91  -3.334   9.658  -9.036
  619   HD13  LEU  91          HD13      LEU  91  -5.051   9.284  -8.808
  620   HD21  LEU  91          HD21      LEU  91  -2.754   6.864 -11.519
  621   HD22  LEU  91          HD22      LEU  91  -1.946   8.191 -10.670
  622   HD23  LEU  91          HD23      LEU  91  -2.475   6.771  -9.766
  623    H    GLY  92           H        GLY  92  -4.546   6.182  -7.239
  624    HA2  GLY  92           HA2      GLY  92  -2.335   4.296  -7.881
  625    HA3  GLY  92           HA3      GLY  92  -2.442   5.337  -6.452
  626    H    ASP  93           H        ASP  93  -5.328   3.619  -7.028
  627    HA   ASP  93           HA       ASP  93  -4.723   1.557  -5.003
  628    HB2  ASP  93           HB2      ASP  93  -7.180   2.648  -6.330
  629    HB3  ASP  93           HB3      ASP  93  -7.199   0.972  -5.804
  630    H    LEU  94           H        LEU  94  -4.989  -0.694  -5.514
  631    HA   LEU  94           HA       LEU  94  -3.533  -1.375  -8.008
  632    HB2  LEU  94           HB2      LEU  94  -2.564  -0.297  -5.451
  633    HB3  LEU  94           HB3      LEU  94  -1.895  -1.882  -5.706
  634    HG   LEU  94           HG       LEU  94  -0.594  -1.208  -7.469
  635   HD11  LEU  94          HD11      LEU  94  -2.106   1.422  -7.742
  636   HD12  LEU  94          HD12      LEU  94  -0.666   0.945  -8.654
  637   HD13  LEU  94          HD13      LEU  94  -2.179   0.066  -8.887
  638   HD21  LEU  94          HD21      LEU  94   0.007  -0.278  -5.211
  639   HD22  LEU  94          HD22      LEU  94   0.727   0.575  -6.591
  640   HD23  LEU  94          HD23      LEU  94  -0.664   1.269  -5.736
  641    HA   PRO  95           HA       PRO  95  -4.811  -5.470  -7.145
  642    HB2  PRO  95           HB2      PRO  95  -2.747  -7.131  -7.819
  643    HB3  PRO  95           HB3      PRO  95  -3.583  -6.098  -9.021
  644    HG2  PRO  95           HG2      PRO  95  -0.995  -5.514  -7.546
  645    HG3  PRO  95           HG3      PRO  95  -1.311  -5.397  -9.306
  646    HD2  PRO  95           HD2      PRO  95  -1.435  -3.240  -7.655
  647    HD3  PRO  95           HD3      PRO  95  -2.562  -3.409  -9.038
  648    H    VAL  96           H        VAL  96  -4.713  -7.365  -5.729
  649    HA   VAL  96           HA       VAL  96  -3.725  -6.606  -3.126
  650    HB   VAL  96           HB       VAL  96  -4.662  -8.805  -2.327
  651   HG11  VAL  96          HG11      VAL  96  -6.553  -6.938  -3.825
  652   HG12  VAL  96          HG12      VAL  96  -6.981  -8.022  -2.485
  653   HG13  VAL  96          HG13      VAL  96  -5.894  -6.659  -2.203
  654   HG21  VAL  96          HG21      VAL  96  -4.604 -10.088  -4.431
  655   HG22  VAL  96          HG22      VAL  96  -6.210 -10.012  -3.693
  656   HG23  VAL  96          HG23      VAL  96  -5.841  -9.005  -5.113
  657    H    LEU  97           H        LEU  97  -2.097  -7.172  -2.024
  658    HA   LEU  97           HA       LEU  97   0.206  -8.490  -3.231
  659    HB2  LEU  97           HB2      LEU  97  -0.112  -6.221  -1.844
  660    HB3  LEU  97           HB3      LEU  97   0.096  -7.250  -0.462
  661    HG   LEU  97           HG       LEU  97   2.039  -6.613  -2.714
  662   HD11  LEU  97          HD11      LEU  97   2.224  -6.487   0.325
  663   HD12  LEU  97          HD12      LEU  97   3.526  -6.028  -0.780
  664   HD13  LEU  97          HD13      LEU  97   2.005  -5.097  -0.761
  665   HD21  LEU  97          HD21      LEU  97   2.274  -9.013  -2.404
  666   HD22  LEU  97          HD22      LEU  97   3.648  -8.160  -1.684
  667   HD23  LEU  97          HD23      LEU  97   2.356  -8.788  -0.628
  668    H    VAL  98           H        VAL  98  -1.229 -10.546  -3.117
  669    HA   VAL  98           HA       VAL  98  -1.718 -11.912  -0.663
  670    HB   VAL  98           HB       VAL  98  -1.127 -13.118  -3.399
  671   HG11  VAL  98          HG11      VAL  98  -2.470 -14.340  -0.937
  672   HG12  VAL  98          HG12      VAL  98  -2.499 -15.060  -2.561
  673   HG13  VAL  98          HG13      VAL  98  -0.964 -14.889  -1.714
  674   HG21  VAL  98          HG21      VAL  98  -3.028 -11.573  -3.494
  675   HG22  VAL  98          HG22      VAL  98  -3.610 -13.233  -3.603
  676   HG23  VAL  98          HG23      VAL  98  -3.767 -12.343  -2.075
  677    H    VAL  99           H        VAL  99  -0.553 -13.389   0.568
  678    HA   VAL  99           HA       VAL  99   2.185 -14.118  -0.358
  679    HB   VAL  99           HB       VAL  99   2.907 -12.869   1.371
  680   HG11  VAL  99          HG11      VAL  99   0.481 -13.517   2.995
  681   HG12  VAL  99          HG12      VAL  99   1.941 -12.734   3.686
  682   HG13  VAL  99          HG13      VAL  99   1.075 -11.951   2.386
  683   HG21  VAL  99          HG21      VAL  99   3.613 -15.263   1.653
  684   HG22  VAL  99          HG22      VAL  99   3.718 -14.271   3.122
  685   HG23  VAL  99          HG23      VAL  99   2.391 -15.423   2.913
  686    H    ASN 100           H        ASN 100   2.598 -16.178  -0.389
  687    HA   ASN 100           HA       ASN 100   0.470 -18.106  -0.379
  688    HB2  ASN 100           HB2      ASN 100   2.324 -19.712  -0.925
  689    HB3  ASN 100           HB3      ASN 100   2.171 -18.332  -2.003
  690   HD21  ASN 100          HD21      ASN 100   3.744 -17.587   1.053
  691   HD22  ASN 100          HD22      ASN 100   5.330 -17.431   0.329
  692    H    ASN 101           H        ASN 101   0.489 -20.135   0.763
  693    HA   ASN 101           HA       ASN 101  -0.333 -19.779   3.222
  694    HB2  ASN 101           HB2      ASN 101  -0.735 -22.046   3.386
  695    HB3  ASN 101           HB3      ASN 101  -0.669 -21.717   1.658
  696   HD21  ASN 101          HD21      ASN 101   2.259 -21.623   1.456
  697   HD22  ASN 101          HD22      ASN 101   2.893 -23.165   1.981
  698    H    ASP 102           H        ASP 102   3.054 -19.737   2.984
  699    HA   ASP 102           HA       ASP 102   3.604 -20.945   5.649
  700    HB2  ASP 102           HB2      ASP 102   4.955 -21.623   3.692
  701    HB3  ASP 102           HB3      ASP 102   5.452 -19.942   3.446
  702    H    GLY 103           H        GLY 103   3.703 -17.780   4.001
  703    HA2  GLY 103           HA2      GLY 103   3.433 -15.776   5.306
  704    HA3  GLY 103           HA3      GLY 103   4.416 -16.455   6.607
  705    H    ILE 104           H        ILE 104   5.773 -16.882   3.450
  706    HA   ILE 104           HA       ILE 104   7.309 -14.309   3.660
  707    HB   ILE 104           HB       ILE 104   8.039 -16.792   2.016
  708   HG12  ILE 104          HG12      ILE 104   9.154 -15.882   4.689
  709   HG13  ILE 104          HG13      ILE 104   8.333 -17.359   4.347
  710   HG21  ILE 104          HG21      ILE 104   9.675 -14.273   2.565
  711   HG22  ILE 104          HG22      ILE 104  10.158 -15.649   1.552
  712   HG23  ILE 104          HG23      ILE 104   8.833 -14.626   1.047
  713   HD11  ILE 104          HD11      ILE 104  11.112 -16.624   3.397
  714   HD12  ILE 104          HD12      ILE 104  10.639 -17.882   4.546
  715   HD13  ILE 104          HD13      ILE 104  10.210 -18.057   2.834
  716    H    ALA 105           H        ALA 105   6.669 -12.750   2.360
  717    HA   ALA 105           HA       ALA 105   4.771 -13.253   0.177
  718    HB1  ALA 105           HB1      ALA 105   6.171 -10.708   1.121
  719    HB2  ALA 105           HB2      ALA 105   4.899 -10.787  -0.121
  720    HB3  ALA 105           HB3      ALA 105   4.522 -11.222   1.545
  721    H    THR 106           H        THR 106   5.370 -13.876  -1.748
  722    HA   THR 106           HA       THR 106   7.826 -12.860  -3.070
  723    HB   THR 106           HB       THR 106   8.373 -14.854  -1.726
  724    HG1  THR 106           HG1      THR 106   9.310 -15.971  -3.546
  725   HG21  THR 106          HG21      THR 106   6.633 -16.385  -3.710
  726   HG22  THR 106          HG22      THR 106   7.713 -17.083  -2.487
  727   HG23  THR 106          HG23      THR 106   6.290 -16.167  -1.980
  728    H    GLU 107           H        GLU 107   4.787 -12.637  -3.413
  729    HA   GLU 107           HA       GLU 107   4.247 -13.959  -5.972
  730    HB2  GLU 107           HB2      GLU 107   2.621 -12.172  -4.143
  731    HB3  GLU 107           HB3      GLU 107   2.021 -12.746  -5.692
  732    HG2  GLU 107           HG2      GLU 107   2.928 -14.612  -3.454
  733    HG3  GLU 107           HG3      GLU 107   1.272 -14.049  -3.669
  734    HA   PRO 108           HA       PRO 108   5.502 -10.024  -7.995
  735    HB2  PRO 108           HB2      PRO 108   5.675 -10.932 -10.564
  736    HB3  PRO 108           HB3      PRO 108   6.951 -11.215  -9.344
  737    HG2  PRO 108           HG2      PRO 108   4.738 -13.112 -10.188
  738    HG3  PRO 108           HG3      PRO 108   6.483 -13.460  -9.989
  739    HD2  PRO 108           HD2      PRO 108   4.652 -14.009  -8.031
  740    HD3  PRO 108           HD3      PRO 108   6.315 -13.477  -7.653
  741    H    VAL 109           H        VAL 109   3.720  -8.748  -7.867
  742    HA   VAL 109           HA       VAL 109   1.364  -9.353  -9.649
  743    HB   VAL 109           HB       VAL 109  -0.030  -7.987  -8.215
  744   HG11  VAL 109          HG11      VAL 109   1.335 -10.206  -6.630
  745   HG12  VAL 109          HG12      VAL 109  -0.309  -9.582  -6.397
  746   HG13  VAL 109          HG13      VAL 109   0.101 -10.447  -7.888
  747   HG21  VAL 109          HG21      VAL 109   1.549  -6.466  -7.156
  748   HG22  VAL 109          HG22      VAL 109   0.664  -7.357  -5.918
  749   HG23  VAL 109          HG23      VAL 109   2.336  -7.814  -6.297
  750    H    THR 110           H        THR 110   0.518  -7.597 -10.939
  751    HA   THR 110           HA       THR 110   2.558  -5.409 -11.311
  752    HB   THR 110           HB       THR 110   1.168  -6.949 -13.543
  753    HG1  THR 110           HG1      THR 110   2.587  -8.322 -12.575
  754   HG21  THR 110          HG21      THR 110   3.547  -5.013 -13.549
  755   HG22  THR 110          HG22      THR 110   2.919  -5.897 -14.957
  756   HG23  THR 110          HG23      THR 110   1.927  -4.669 -14.173
  757    H    ALA 111           H        ALA 111   1.876  -3.445 -11.520
  758    HA   ALA 111           HA       ALA 111  -1.069  -2.966 -11.714
  759    HB1  ALA 111           HB1      ALA 111   1.135  -1.379 -10.364
  760    HB2  ALA 111           HB2      ALA 111  -0.584  -0.942 -10.410
  761    HB3  ALA 111           HB3      ALA 111  -0.060  -2.423  -9.576
  762    HA   PRO 112           HA       PRO 112   0.193  -0.730 -15.576
  763    HB2  PRO 112           HB2      PRO 112  -2.132  -1.142 -16.958
  764    HB3  PRO 112           HB3      PRO 112  -0.836  -2.364 -16.871
  765    HG2  PRO 112           HG2      PRO 112  -3.335  -2.181 -15.160
  766    HG3  PRO 112           HG3      PRO 112  -2.706  -3.608 -16.046
  767    HD2  PRO 112           HD2      PRO 112  -2.215  -3.238 -13.411
  768    HD3  PRO 112           HD3      PRO 112  -0.964  -3.928 -14.482
  769    H    ARG 113           H        ARG 113  -1.500  -0.096 -12.912
  770    HA   ARG 113           HA       ARG 113  -3.355   1.985 -13.703
  771    HB2  ARG 113           HB2      ARG 113  -2.144   0.955 -11.122
  772    HB3  ARG 113           HB3      ARG 113  -2.983   2.489 -11.094
  773    HG2  ARG 113           HG2      ARG 113  -4.398   0.121 -12.333
  774    HG3  ARG 113           HG3      ARG 113  -4.245   0.206 -10.587
  775    HD2  ARG 113           HD2      ARG 113  -6.378   1.198 -11.281
  776    HD3  ARG 113           HD3      ARG 113  -5.342   2.391 -10.513
  777    HE   ARG 113           HE       ARG 113  -5.140   3.556 -12.505
  778   HH11  ARG 113          HH11      ARG 113  -6.676   0.454 -13.253
  779   HH12  ARG 113          HH12      ARG 113  -6.737   0.800 -14.960
  780   HH21  ARG 113          HH21      ARG 113  -5.407   3.979 -14.722
  781   HH22  ARG 113          HH22      ARG 113  -6.206   2.814 -15.741
  782    H    LEU 114           H        LEU 114   0.033   1.846 -13.073
  783    HA   LEU 114           HA       LEU 114   0.368   4.809 -13.294
  784    HB2  LEU 114           HB2      LEU 114   1.761   2.738 -11.565
  785    HB3  LEU 114           HB3      LEU 114   2.609   4.192 -12.060
  786    HG   LEU 114           HG       LEU 114   1.790   4.321  -9.793
  787   HD11  LEU 114          HD11      LEU 114   0.381   6.318 -11.601
  788   HD12  LEU 114          HD12      LEU 114   0.767   6.534  -9.878
  789   HD13  LEU 114          HD13      LEU 114   2.075   6.368 -11.058
  790   HD21  LEU 114          HD21      LEU 114  -0.303   2.960 -10.041
  791   HD22  LEU 114          HD22      LEU 114  -0.489   4.473  -9.136
  792   HD23  LEU 114          HD23      LEU 114  -1.070   4.380 -10.800
  793    H    LYS 115           H        LYS 115   2.267   5.409 -14.464
  794    HA   LYS 115           HA       LYS 115   3.223   3.358 -16.405
  795    HB2  LYS 115           HB2      LYS 115   1.241   4.814 -17.176
  796    HB3  LYS 115           HB3      LYS 115   2.336   6.186 -17.126
  797    HG2  LYS 115           HG2      LYS 115   1.946   5.324 -19.382
  798    HG3  LYS 115           HG3      LYS 115   3.650   5.260 -18.979
  799    HD2  LYS 115           HD2      LYS 115   1.860   2.830 -18.609
  800    HD3  LYS 115           HD3      LYS 115   2.499   3.239 -20.202
  801    HE2  LYS 115           HE2      LYS 115   4.623   2.601 -19.725
  802    HE3  LYS 115           HE3      LYS 115   4.587   3.296 -18.114
  803    HZ1  LYS 115           HZ1      LYS 115   3.589   0.625 -18.886
  804    HZ2  LYS 115           HZ2      LYS 115   4.765   1.049 -17.796
  805    HZ3  LYS 115           HZ3      LYS 115   3.215   1.352 -17.444
  806    H    SER 116           H        SER 116   4.284   5.173 -14.017
  807    HA   SER 116           HA       SER 116   7.027   5.164 -14.985
  808    HB2  SER 116           HB2      SER 116   5.466   7.719 -14.905
  809    HB3  SER 116           HB3      SER 116   7.148   7.749 -14.349
  810    HG   SER 116           HG       SER 116   6.330   6.610 -16.818
  811    H    LEU 117           H        LEU 117   8.579   5.381 -13.387
  812    HA   LEU 117           HA       LEU 117   7.821   5.371 -10.547
  813    HB2  LEU 117           HB2      LEU 117  10.345   5.276 -12.213
  814    HB3  LEU 117           HB3      LEU 117  10.482   5.845 -10.564
  815    HG   LEU 117           HG       LEU 117   9.923   3.824  -9.609
  816   HD11  LEU 117          HD11      LEU 117   8.650   2.893 -12.152
  817   HD12  LEU 117          HD12      LEU 117   9.113   1.801 -10.825
  818   HD13  LEU 117          HD13      LEU 117   7.951   3.081 -10.523
  819   HD21  LEU 117          HD21      LEU 117  12.158   3.817 -10.667
  820   HD22  LEU 117          HD22      LEU 117  11.476   2.188 -10.641
  821   HD23  LEU 117          HD23      LEU 117  11.468   3.124 -12.144
  822    H    ASP 118           H        ASP 118   8.896   7.758 -12.945
  823    HA   ASP 118           HA       ASP 118   9.693   9.797 -11.259
  824    HB2  ASP 118           HB2      ASP 118   9.935   9.548 -13.787
  825    HB3  ASP 118           HB3      ASP 118   8.301  10.215 -13.931
  826    H    GLU 119           H        GLU 119   6.395   8.924 -12.028
  827    HA   GLU 119           HA       GLU 119   5.230  11.372 -10.886
  828    HB2  GLU 119           HB2      GLU 119   3.066  10.286 -11.437
  829    HB3  GLU 119           HB3      GLU 119   4.153  10.508 -12.807
  830    HG2  GLU 119           HG2      GLU 119   4.821   8.131 -12.688
  831    HG3  GLU 119           HG3      GLU 119   3.721   7.883 -11.331
  832    H    VAL 120           H        VAL 120   6.610   8.689  -9.443
  833    HA   VAL 120           HA       VAL 120   4.949   9.102  -7.001
  834    HB   VAL 120           HB       VAL 120   5.175   6.706  -6.438
  835   HG11  VAL 120          HG11      VAL 120   3.770   7.158  -9.090
  836   HG12  VAL 120          HG12      VAL 120   3.477   5.852  -7.936
  837   HG13  VAL 120          HG13      VAL 120   3.110   7.522  -7.483
  838   HG21  VAL 120          HG21      VAL 120   7.180   6.186  -7.896
  839   HG22  VAL 120          HG22      VAL 120   5.838   5.042  -8.059
  840   HG23  VAL 120          HG23      VAL 120   6.097   6.271  -9.307
  841    H    LYS 121           H        LYS 121   7.763   9.981  -8.019
  842    HA   LYS 121           HA       LYS 121   9.673   8.922  -6.172
  843    HB2  LYS 121           HB2      LYS 121  11.159  10.566  -7.158
  844    HB3  LYS 121           HB3      LYS 121  10.166   9.813  -8.407
  845    HG2  LYS 121           HG2      LYS 121   8.621  11.857  -8.250
  846    HG3  LYS 121           HG3      LYS 121   9.839  12.610  -7.220
  847    HD2  LYS 121           HD2      LYS 121  11.496  12.518  -9.023
  848    HD3  LYS 121           HD3      LYS 121  10.393  11.565 -10.033
  849    HE2  LYS 121           HE2      LYS 121   8.735  13.487  -9.888
  850    HE3  LYS 121           HE3      LYS 121  10.013  14.447  -9.120
  851    HZ1  LYS 121           HZ1      LYS 121   9.983  13.340 -11.870
  852    HZ2  LYS 121           HZ2      LYS 121  10.050  14.920 -11.413
  853    HZ3  LYS 121           HZ3      LYS 121  11.350  13.927 -11.193
  854    H    ASP 122           H        ASP 122   7.257  10.240  -4.901
  855    HA   ASP 122           HA       ASP 122   8.577  11.601  -2.678
  856    HB2  ASP 122           HB2      ASP 122   8.243  13.331  -4.567
  857    HB3  ASP 122           HB3      ASP 122   6.518  13.151  -4.303
  858    H    LYS 123           H        LYS 123   7.065   9.161  -3.054
  859    HA   LYS 123           HA       LYS 123   4.595   9.630  -1.469
  860    HB2  LYS 123           HB2      LYS 123   4.736   8.154  -4.118
  861    HB3  LYS 123           HB3      LYS 123   3.344   8.154  -3.021
  862    HG2  LYS 123           HG2      LYS 123   3.190  10.625  -3.198
  863    HG3  LYS 123           HG3      LYS 123   4.506  10.608  -4.393
  864    HD2  LYS 123           HD2      LYS 123   3.182   9.157  -5.865
  865    HD3  LYS 123           HD3      LYS 123   1.855   9.149  -4.687
  866    HE2  LYS 123           HE2      LYS 123   1.249  11.293  -5.088
  867    HE3  LYS 123           HE3      LYS 123   2.897  11.838  -5.439
  868    HZ1  LYS 123           HZ1      LYS 123   1.197  10.339  -7.351
  869    HZ2  LYS 123           HZ2      LYS 123   1.650  11.919  -7.460
  870    HZ3  LYS 123           HZ3      LYS 123   2.762  10.741  -7.617
  871    H    ALA 124           H        ALA 124   3.642   7.809  -0.481
  872    HA   ALA 124           HA       ALA 124   5.536   5.639   0.226
  873    HB1  ALA 124           HB1      ALA 124   2.881   6.497   1.441
  874    HB2  ALA 124           HB2      ALA 124   3.991   5.274   2.097
  875    HB3  ALA 124           HB3      ALA 124   4.496   6.966   2.031
  876    H    LEU 125           H        LEU 125   5.079   3.542   0.158
  877    HA   LEU 125           HA       LEU 125   2.753   2.436  -1.397
  878    HB2  LEU 125           HB2      LEU 125   5.520   1.327  -0.762
  879    HB3  LEU 125           HB3      LEU 125   4.285   0.466  -1.673
  880    HG   LEU 125           HG       LEU 125   5.322   3.128  -2.694
  881   HD11  LEU 125          HD11      LEU 125   6.713   0.433  -2.994
  882   HD12  LEU 125          HD12      LEU 125   7.122   1.917  -3.887
  883   HD13  LEU 125          HD13      LEU 125   7.322   1.860  -2.132
  884   HD21  LEU 125          HD21      LEU 125   4.713   2.301  -4.846
  885   HD22  LEU 125          HD22      LEU 125   4.606   0.639  -4.277
  886   HD23  LEU 125          HD23      LEU 125   3.371   1.826  -3.784
  887    H    MET 126           H        MET 126   1.349   1.238  -0.050
  888    HA   MET 126           HA       MET 126   2.422   0.346   2.621
  889    HB2  MET 126           HB2      MET 126  -0.026   1.941   1.960
  890    HB3  MET 126           HB3      MET 126  -0.172   0.703   3.212
  891    HG2  MET 126           HG2      MET 126   1.617   1.625   4.510
  892    HG3  MET 126           HG3      MET 126   2.069   2.748   3.248
  893    HE1  MET 126           HE1      MET 126   0.343   4.525   2.280
  894    HE2  MET 126           HE2      MET 126  -0.096   5.719   3.528
  895    HE3  MET 126           HE3      MET 126   1.575   5.112   3.416
  896    H    ILE 127           H        ILE 127   2.014  -1.578   3.343
  897    HA   ILE 127           HA       ILE 127   0.501  -3.545   1.667
  898    HB   ILE 127           HB       ILE 127   2.196  -4.035   4.157
  899   HG12  ILE 127          HG12      ILE 127   2.874  -4.162   1.206
  900   HG13  ILE 127          HG13      ILE 127   3.693  -3.286   2.486
  901   HG21  ILE 127          HG21      ILE 127   0.925  -5.965   2.159
  902   HG22  ILE 127          HG22      ILE 127   1.955  -6.424   3.538
  903   HG23  ILE 127          HG23      ILE 127   0.390  -5.698   3.826
  904   HD11  ILE 127          HD11      ILE 127   3.717  -6.310   2.108
  905   HD12  ILE 127          HD12      ILE 127   5.034  -5.189   1.793
  906   HD13  ILE 127          HD13      ILE 127   4.481  -5.443   3.463
  907    H    HIS 128           H        HIS 128  -1.560  -3.676   2.067
  908    HA   HIS 128           HA       HIS 128  -2.701  -2.577   4.542
  909    HB2  HIS 128           HB2      HIS 128  -3.336  -2.649   1.707
  910    HB3  HIS 128           HB3      HIS 128  -4.707  -3.182   2.603
  911    HD1  HIS 128           HD1      HIS 128  -6.131  -1.203   3.548
  912    HD2  HIS 128           HD2      HIS 128  -2.229  -0.243   2.385
  913    HE1  HIS 128           HE1      HIS 128  -6.038   1.342   3.430
  914    H    VAL 129           H        VAL 129  -3.980  -3.699   5.982
  915    HA   VAL 129           HA       VAL 129  -2.838  -6.207   6.500
  916    HB   VAL 129           HB       VAL 129  -5.205  -4.831   7.770
  917   HG11  VAL 129          HG11      VAL 129  -3.885  -7.396   8.767
  918   HG12  VAL 129          HG12      VAL 129  -4.954  -6.360   9.737
  919   HG13  VAL 129          HG13      VAL 129  -5.595  -7.185   8.318
  920   HG21  VAL 129          HG21      VAL 129  -2.885  -3.875   8.003
  921   HG22  VAL 129          HG22      VAL 129  -3.588  -4.346   9.555
  922   HG23  VAL 129          HG23      VAL 129  -2.366  -5.374   8.774
  923    H    GLY 130           H        GLY 130  -6.099  -5.623   5.186
  924    HA2  GLY 130           HA2      GLY 130  -6.227  -8.518   4.375
  925    HA3  GLY 130           HA3      GLY 130  -7.667  -7.554   4.751
  926    H    GLY 131           H        GLY 131  -7.192  -8.818   2.244
  927    HA2  GLY 131           HA2      GLY 131  -6.632  -7.020   0.127
  928    HA3  GLY 131           HA3      GLY 131  -7.813  -8.330   0.087
  929    H    ASP 132           H        ASP 132  -7.294  -5.083   0.100
  930    HA   ASP 132           HA       ASP 132  -9.430  -3.909   1.497
  931    HB2  ASP 132           HB2      ASP 132  -7.027  -3.178   0.848
  932    HB3  ASP 132           HB3      ASP 132  -7.691  -2.724  -0.705
  933    H    ASN 133           H        ASN 133 -10.449  -5.799  -0.543
  934    HA   ASN 133           HA       ASN 133 -11.015  -4.404  -2.972
  935    HB2  ASN 133           HB2      ASN 133 -11.690  -6.520  -3.800
  936    HB3  ASN 133           HB3      ASN 133 -10.352  -6.824  -2.704
  937   HD21  ASN 133          HD21      ASN 133 -13.943  -6.878  -2.920
  938   HD22  ASN 133          HD22      ASN 133 -14.165  -8.177  -1.760
  939    H    MET 134           H        MET 134 -12.786  -3.847  -0.303
  940    HA   MET 134           HA       MET 134 -15.432  -4.681  -1.348
  941    HB2  MET 134           HB2      MET 134 -14.411  -3.883   1.394
  942    HB3  MET 134           HB3      MET 134 -16.116  -4.201   1.054
  943    HG2  MET 134           HG2      MET 134 -15.648  -6.457   0.315
  944    HG3  MET 134           HG3      MET 134 -13.913  -6.222   0.459
  945    HE1  MET 134           HE1      MET 134 -12.944  -5.225   2.898
  946    HE2  MET 134           HE2      MET 134 -13.061  -6.524   4.104
  947    HE3  MET 134           HE3      MET 134 -12.551  -6.896   2.444
  948    H    SER 135           H        SER 135 -17.316  -3.458  -1.324
  949    HA   SER 135           HA       SER 135 -17.196  -0.564  -0.867
  950    HB2  SER 135           HB2      SER 135 -18.481  -0.147  -2.955
  951    HB3  SER 135           HB3      SER 135 -16.849  -0.748  -3.284
  952    HG   SER 135           HG       SER 135 -18.643  -1.731  -4.542
  953    H    ASP 136           H        ASP 136 -19.240   0.316  -0.332
  954    HA   ASP 136           HA       ASP 136 -21.155   0.449   0.811
  955    HB2  ASP 136           HB2      ASP 136 -22.122  -0.119  -1.323
  956    HB3  ASP 136           HB3      ASP 136 -22.038  -1.841  -0.950
  957    H    GLN 137           H        GLN 137 -20.147  -0.007   2.788
  958    HA   GLN 137           HA       GLN 137 -21.862  -1.647   4.311
  959    HB2  GLN 137           HB2      GLN 137 -20.138  -3.039   5.480
  960    HB3  GLN 137           HB3      GLN 137 -20.524  -3.557   3.868
  961    HG2  GLN 137           HG2      GLN 137 -18.069  -1.888   4.576
  962    HG3  GLN 137           HG3      GLN 137 -18.103  -3.654   4.573
  963   HE21  GLN 137          HE21      GLN 137 -19.565  -4.197   2.228
  964   HE22  GLN 137          HE22      GLN 137 -18.785  -3.480   0.876
  965    HA   PRO 138           HA       PRO 138 -20.794   1.587   7.083
  966    HB2  PRO 138           HB2      PRO 138 -21.615   0.709   9.540
  967    HB3  PRO 138           HB3      PRO 138 -22.732   0.984   8.174
  968    HG2  PRO 138           HG2      PRO 138 -21.457  -1.638   9.024
  969    HG3  PRO 138           HG3      PRO 138 -23.198  -1.298   8.745
  970    HD2  PRO 138           HD2      PRO 138 -21.647  -2.394   6.822
  971    HD3  PRO 138           HD3      PRO 138 -22.899  -1.191   6.405
  972    H    LYS 139           H        LYS 139 -18.532  -0.329   6.513
  973    HA   LYS 139           HA       LYS 139 -16.794   0.916   8.494
  974    HB2  LYS 139           HB2      LYS 139 -16.515  -2.045   7.788
  975    HB3  LYS 139           HB3      LYS 139 -15.281  -1.073   8.606
  976    HG2  LYS 139           HG2      LYS 139 -16.978  -0.553  10.409
  977    HG3  LYS 139           HG3      LYS 139 -18.071  -1.721   9.642
  978    HD2  LYS 139           HD2      LYS 139 -16.385  -3.521  10.006
  979    HD3  LYS 139           HD3      LYS 139 -15.313  -2.332  10.796
  980    HE2  LYS 139           HE2      LYS 139 -17.213  -1.797  12.390
  981    HE3  LYS 139           HE3      LYS 139 -18.137  -3.119  11.664
  982    HZ1  LYS 139           HZ1      LYS 139 -15.575  -3.385  13.136
  983    HZ2  LYS 139           HZ2      LYS 139 -17.066  -3.802  13.654
  984    HZ3  LYS 139           HZ3      LYS 139 -16.383  -4.640  12.409
  985    HA   PRO 140           HA       PRO 140 -15.275   2.081   4.508
  986    HB2  PRO 140           HB2      PRO 140 -12.989   3.473   5.164
  987    HB3  PRO 140           HB3      PRO 140 -14.647   4.076   5.448
  988    HG2  PRO 140           HG2      PRO 140 -12.821   2.655   7.411
  989    HG3  PRO 140           HG3      PRO 140 -13.738   4.178   7.655
  990    HD2  PRO 140           HD2      PRO 140 -14.701   1.800   8.527
  991    HD3  PRO 140           HD3      PRO 140 -15.800   3.018   7.804
  992    H    LEU 141           H        LEU 141 -14.029   1.241   2.930
  993    HA   LEU 141           HA       LEU 141 -12.874  -0.344   1.795
  994    HB2  LEU 141           HB2      LEU 141 -10.864  -0.359   4.087
  995    HB3  LEU 141           HB3      LEU 141 -10.644  -0.974   2.473
  996    HG   LEU 141           HG       LEU 141  -9.412   0.947   2.478
  997   HD11  LEU 141          HD11      LEU 141 -12.051   1.891   1.280
  998   HD12  LEU 141          HD12      LEU 141 -10.424   2.473   0.880
  999   HD13  LEU 141          HD13      LEU 141 -10.884   0.805   0.500
 1000   HD21  LEU 141          HD21      LEU 141 -10.351   1.930   4.595
 1001   HD22  LEU 141          HD22      LEU 141  -9.932   3.091   3.323
 1002   HD23  LEU 141          HD23      LEU 141 -11.625   2.670   3.597
 1003    H    GLY 142           H        GLY 142 -14.968  -1.131   3.780
 1004    HA2  GLY 142           HA2      GLY 142 -15.948  -3.038   4.571
 1005    HA3  GLY 142           HA3      GLY 142 -14.675  -4.008   3.807
 1006    H    GLY 143           H        GLY 143 -13.207  -1.750   5.740
 1007    HA2  GLY 143           HA2      GLY 143 -12.559  -1.944   8.106
 1008    HA3  GLY 143           HA3      GLY 143 -12.735  -3.711   7.961
 1009    H    GLY 144           H        GLY 144 -11.379  -2.975   5.062
 1010    HA2  GLY 144           HA2      GLY 144  -8.853  -4.076   5.829
 1011    HA3  GLY 144           HA3      GLY 144  -9.336  -3.526   4.207
 1012    H    GLY 145           H        GLY 145  -9.618  -0.889   6.220
 1013    HA2  GLY 145           HA2      GLY 145  -7.596   0.501   4.818
 1014    HA3  GLY 145           HA3      GLY 145  -8.537   1.140   6.178
 1015    H    THR 146           H        THR 146  -7.041  -1.406   7.572
 1016    HA   THR 146           HA       THR 146  -4.870   0.172   8.774
 1017    HB   THR 146           HB       THR 146  -4.565  -1.994  10.101
 1018    HG1  THR 146           HG1      THR 146  -6.447  -3.359   9.938
 1019   HG21  THR 146          HG21      THR 146  -7.337  -0.713  10.187
 1020   HG22  THR 146          HG22      THR 146  -6.545  -1.619  11.494
 1021   HG23  THR 146          HG23      THR 146  -5.879  -0.067  10.969
 1022    H    ARG 147           H        ARG 147  -2.653  -0.706   8.911
 1023    HA   ARG 147           HA       ARG 147  -1.868  -2.147   6.423
 1024    HB2  ARG 147           HB2      ARG 147  -0.272   0.227   7.386
 1025    HB3  ARG 147           HB3      ARG 147  -0.227  -0.595   5.841
 1026    HG2  ARG 147           HG2      ARG 147  -1.422   1.211   5.132
 1027    HG3  ARG 147           HG3      ARG 147  -2.804   0.316   5.740
 1028    HD2  ARG 147           HD2      ARG 147  -2.332   1.497   8.008
 1029    HD3  ARG 147           HD3      ARG 147  -1.201   2.510   7.125
 1030    HE   ARG 147           HE       ARG 147  -4.159   2.318   6.589
 1031   HH11  ARG 147          HH11      ARG 147  -1.265   4.356   6.364
 1032   HH12  ARG 147          HH12      ARG 147  -2.156   5.832   6.631
 1033   HH21  ARG 147          HH21      ARG 147  -5.265   4.277   6.714
 1034   HH22  ARG 147          HH22      ARG 147  -4.386   5.784   6.615
 1035    H    TYR 148           H        TYR 148  -0.234  -3.562   6.587
 1036    HA   TYR 148           HA       TYR 148   0.849  -4.198   9.279
 1037    HB2  TYR 148           HB2      TYR 148  -0.081  -5.939   7.674
 1038    HB3  TYR 148           HB3      TYR 148   1.323  -5.750   6.640
 1039    HD1  TYR 148           HD1      TYR 148   0.136  -6.964   9.921
 1040    HD2  TYR 148           HD2      TYR 148   3.495  -6.564   7.242
 1041    HE1  TYR 148           HE1      TYR 148   1.361  -8.729  11.187
 1042    HE2  TYR 148           HE2      TYR 148   4.707  -8.326   8.494
 1043    HH   TYR 148           HH       TYR 148   4.606  -9.868  10.176
 1044    H    ALA 149           H        ALA 149   1.907  -2.766   6.222
 1045    HA   ALA 149           HA       ALA 149   4.380  -1.833   7.475
 1046    HB1  ALA 149           HB1      ALA 149   4.442  -3.661   5.026
 1047    HB2  ALA 149           HB2      ALA 149   5.837  -2.816   5.702
 1048    HB3  ALA 149           HB3      ALA 149   5.029  -4.077   6.657
 1049    H    CYS 150           H        CYS 150   5.543  -0.279   6.249
 1050    HA   CYS 150           HA       CYS 150   4.225   0.987   3.920
 1051    HB2  CYS 150           HB2      CYS 150   3.447   2.097   6.013
 1052    HB3  CYS 150           HB3      CYS 150   5.117   2.463   6.421
 1053    H    GLY 151           H        GLY 151   5.670   2.180   2.639
 1054    HA2  GLY 151           HA2      GLY 151   8.517   2.416   3.340
 1055    HA3  GLY 151           HA3      GLY 151   8.178   1.408   1.940
 1056    H    VAL 152           H        VAL 152   9.043   4.404   2.733
 1057    HA   VAL 152           HA       VAL 152   7.623   5.943   0.671
 1058    HB   VAL 152           HB       VAL 152  10.054   6.714   2.327
 1059   HG11  VAL 152          HG11      VAL 152   8.226   8.377   0.530
 1060   HG12  VAL 152          HG12      VAL 152   9.397   9.059   1.682
 1061   HG13  VAL 152          HG13      VAL 152   9.968   8.103   0.317
 1062   HG21  VAL 152          HG21      VAL 152   8.124   6.372   3.776
 1063   HG22  VAL 152          HG22      VAL 152   8.415   8.101   3.608
 1064   HG23  VAL 152          HG23      VAL 152   7.089   7.338   2.699
 1065    H    ILE 153           H        ILE 153   8.211   6.310  -1.362
 1066    HA   ILE 153           HA       ILE 153  10.367   4.786  -2.615
 1067    HB   ILE 153           HB       ILE 153   8.405   6.880  -3.634
 1068   HG12  ILE 153          HG12      ILE 153   8.387   3.885  -4.180
 1069   HG13  ILE 153          HG13      ILE 153   7.528   4.571  -2.801
 1070   HG21  ILE 153          HG21      ILE 153  10.283   5.082  -5.233
 1071   HG22  ILE 153          HG22      ILE 153   9.012   6.102  -5.934
 1072   HG23  ILE 153          HG23      ILE 153  10.372   6.852  -5.122
 1073   HD11  ILE 153          HD11      ILE 153   6.988   5.226  -5.709
 1074   HD12  ILE 153          HD12      ILE 153   5.992   4.243  -4.642
 1075   HD13  ILE 153          HD13      ILE 153   6.172   5.973  -4.309
 1076    H    LYS 154           H        LYS 154  12.403   5.452  -3.158
 1077    HA   LYS 154           HA       LYS 154  13.099   8.335  -2.708
 1078    HB2  LYS 154           HB2      LYS 154  14.825   5.847  -2.302
 1079    HB3  LYS 154           HB3      LYS 154  15.363   7.524  -2.166
 1080    HG2  LYS 154           HG2      LYS 154  13.470   7.798  -0.395
 1081    HG3  LYS 154           HG3      LYS 154  13.450   6.024  -0.354
 1082    HD2  LYS 154           HD2      LYS 154  15.924   6.074   0.173
 1083    HD3  LYS 154           HD3      LYS 154  15.838   7.848   0.185
 1084    HE2  LYS 154           HE2      LYS 154  13.950   7.568   1.942
 1085    HE3  LYS 154           HE3      LYS 154  14.476   5.882   2.076
 1086    HZ1  LYS 154           HZ1      LYS 154  16.083   8.312   2.613
 1087    HZ2  LYS 154           HZ2      LYS 154  15.573   7.229   3.735
 1088    HZ3  LYS 154           HZ3      LYS 154  16.719   6.783   2.637
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1  11.871  -1.207 -15.557
    2    H2   ALA   1           H2       ALA   1  11.997  -0.234 -16.890
    3    H3   ALA   1           H3       ALA   1  10.708  -0.101 -15.856
    4    HA   ALA   1           HA       ALA   1  13.535   0.546 -15.309
    5    HB1  ALA   1           HB1      ALA   1  11.081   2.370 -15.387
    6    HB2  ALA   1           HB2      ALA   1  12.733   2.862 -14.957
    7    HB3  ALA   1           HB3      ALA   1  12.373   2.321 -16.605
    8    H    SER   2           H        SER   2  14.135   0.751 -13.043
    9    HA   SER   2           HA       SER   2  12.069  -0.642 -11.400
   10    HB2  SER   2           HB2      SER   2  14.894  -1.578 -11.472
   11    HB3  SER   2           HB3      SER   2  13.419  -2.500 -11.198
   12    HG   SER   2           HG       SER   2  13.045  -2.411 -13.502
   13    H    GLU   3           H        GLU   3  12.077  -0.625  -9.281
   14    HA   GLU   3           HA       GLU   3  14.297   0.487  -7.764
   15    HB2  GLU   3           HB2      GLU   3  13.292   2.579  -8.313
   16    HB3  GLU   3           HB3      GLU   3  11.656   1.940  -8.044
   17    HG2  GLU   3           HG2      GLU   3  12.236   3.464  -6.293
   18    HG3  GLU   3           HG3      GLU   3  12.037   1.833  -5.642
   19    H    LYS   4           H        LYS   4  14.369  -0.372  -5.786
   20    HA   LYS   4           HA       LYS   4  12.172  -2.268  -5.027
   21    HB2  LYS   4           HB2      LYS   4  13.788  -3.665  -3.945
   22    HB3  LYS   4           HB3      LYS   4  14.180  -3.416  -5.632
   23    HG2  LYS   4           HG2      LYS   4  16.264  -2.816  -5.093
   24    HG3  LYS   4           HG3      LYS   4  15.653  -1.410  -4.247
   25    HD2  LYS   4           HD2      LYS   4  17.011  -2.592  -2.692
   26    HD3  LYS   4           HD3      LYS   4  15.337  -2.860  -2.199
   27    HE2  LYS   4           HE2      LYS   4  15.408  -5.088  -3.431
   28    HE3  LYS   4           HE3      LYS   4  17.121  -4.778  -3.773
   29    HZ1  LYS   4           HZ1      LYS   4  15.876  -5.268  -1.142
   30    HZ2  LYS   4           HZ2      LYS   4  17.124  -6.082  -1.847
   31    HZ3  LYS   4           HZ3      LYS   4  17.373  -4.594  -1.272
   32    H    VAL   5           H        VAL   5  10.753  -1.251  -3.679
   33    HA   VAL   5           HA       VAL   5  11.827   0.797  -1.870
   34    HB   VAL   5           HB       VAL   5   8.997  -0.229  -2.265
   35   HG11  VAL   5          HG11      VAL   5  10.052   2.035  -0.490
   36   HG12  VAL   5          HG12      VAL   5   8.352   1.858  -0.959
   37   HG13  VAL   5          HG13      VAL   5   9.126   0.608   0.030
   38   HG21  VAL   5          HG21      VAL   5  10.085   1.107  -4.127
   39   HG22  VAL   5          HG22      VAL   5   8.653   1.857  -3.419
   40   HG23  VAL   5          HG23      VAL   5  10.277   2.452  -2.990
   41    H    GLY   6           H        GLY   6  12.564   0.490   0.060
   42    HA2  GLY   6           HA2      GLY   6  12.441  -2.040   1.497
   43    HA3  GLY   6           HA3      GLY   6  13.200  -0.523   2.054
   44    H    MET   7           H        MET   7  10.523  -2.604   2.241
   45    HA   MET   7           HA       MET   7   8.742  -0.651   3.525
   46    HB2  MET   7           HB2      MET   7   8.310  -3.604   2.987
   47    HB3  MET   7           HB3      MET   7   7.103  -2.400   3.516
   48    HG2  MET   7           HG2      MET   7   7.916  -1.076   1.372
   49    HG3  MET   7           HG3      MET   7   8.520  -2.641   0.854
   50    HE1  MET   7           HE1      MET   7   5.658  -0.380   1.737
   51    HE2  MET   7           HE2      MET   7   4.178  -1.263   1.334
   52    HE3  MET   7           HE3      MET   7   5.092  -1.681   2.806
   53    H    ASN   8           H        ASN   8   9.008  -0.095   5.537
   54    HA   ASN   8           HA       ASN   8  10.054  -1.834   7.644
   55    HB2  ASN   8           HB2      ASN   8   8.983   0.997   7.435
   56    HB3  ASN   8           HB3      ASN   8   9.024   0.179   9.013
   57   HD21  ASN   8          HD21      ASN   8  11.076  -0.817   9.669
   58   HD22  ASN   8          HD22      ASN   8  12.594  -0.062   9.189
   59    H    LEU   9           H        LEU   9   8.852  -2.931   9.172
   60    HA   LEU   9           HA       LEU   9   5.959  -3.278   8.917
   61    HB2  LEU   9           HB2      LEU   9   7.955  -3.901  11.138
   62    HB3  LEU   9           HB3      LEU   9   6.270  -4.386  11.170
   63    HG   LEU   9           HG       LEU   9   8.135  -5.258   8.917
   64   HD11  LEU   9          HD11      LEU   9   8.350  -7.407  10.189
   65   HD12  LEU   9          HD12      LEU   9   9.183  -6.028  10.923
   66   HD13  LEU   9          HD13      LEU   9   7.629  -6.601  11.599
   67   HD21  LEU   9          HD21      LEU   9   5.712  -5.482   8.477
   68   HD22  LEU   9          HD22      LEU   9   6.465  -7.070   8.672
   69   HD23  LEU   9          HD23      LEU   9   5.515  -6.370  10.001
   70    H    VAL  10           H        VAL  10   4.389  -2.108  10.003
   71    HA   VAL  10           HA       VAL  10   5.191  -0.059  11.967
   72    HB   VAL  10           HB       VAL  10   4.396   1.859  10.946
   73   HG11  VAL  10          HG11      VAL  10   5.571   0.501   8.508
   74   HG12  VAL  10          HG12      VAL  10   5.572   2.232   8.908
   75   HG13  VAL  10          HG13      VAL  10   6.547   1.116   9.856
   76   HG21  VAL  10          HG21      VAL  10   2.261   1.262  10.141
   77   HG22  VAL  10          HG22      VAL  10   3.132   1.977   8.804
   78   HG23  VAL  10          HG23      VAL  10   2.966   0.215   8.860
   79    H    THR  11           H        THR  11   3.519   0.986  13.031
   80    HA   THR  11           HA       THR  11   0.851  -0.273  13.133
   81    HB   THR  11           HB       THR  11   2.224  -1.960  14.126
   82    HG1  THR  11           HG1      THR  11   0.175  -1.693  14.892
   83   HG21  THR  11          HG21      THR  11   2.990   0.113  16.244
   84   HG22  THR  11          HG22      THR  11   3.327  -1.625  16.301
   85   HG23  THR  11          HG23      THR  11   4.094  -0.626  15.066
   86    H    ALA  12           H        ALA  12   0.603   0.556  15.895
   87    HA   ALA  12           HA       ALA  12  -0.255   3.346  15.365
   88    HB1  ALA  12           HB1      ALA  12  -0.644   1.548  17.800
   89    HB2  ALA  12           HB2      ALA  12  -1.410   3.119  17.529
   90    HB3  ALA  12           HB3      ALA  12  -1.796   1.771  16.445
   91    H    GLN  13           H        GLN  13   2.419   1.864  16.899
   92    HA   GLN  13           HA       GLN  13   3.383   4.365  18.193
   93    HB2  GLN  13           HB2      GLN  13   4.301   1.500  17.916
   94    HB3  GLN  13           HB3      GLN  13   5.537   2.753  18.152
   95    HG2  GLN  13           HG2      GLN  13   4.745   1.459  20.194
   96    HG3  GLN  13           HG3      GLN  13   4.933   3.221  20.294
   97   HE21  GLN  13          HE21      GLN  13   3.133   4.524  20.696
   98   HE22  GLN  13          HE22      GLN  13   1.492   3.852  20.588
   99    H    GLY  14           H        GLY  14   3.018   3.390  14.987
  100    HA2  GLY  14           HA2      GLY  14   3.876   4.420  13.064
  101    HA3  GLY  14           HA3      GLY  14   5.146   5.211  14.044
  102    H    VAL  15           H        VAL  15   7.050   4.510  13.347
  103    HA   VAL  15           HA       VAL  15   7.234   2.148  11.671
  104    HB   VAL  15           HB       VAL  15   9.325   4.241  12.392
  105   HG11  VAL  15          HG11      VAL  15   9.344   2.122  10.199
  106   HG12  VAL  15          HG12      VAL  15  10.522   3.440  10.351
  107   HG13  VAL  15          HG13      VAL  15  10.446   2.189  11.592
  108   HG21  VAL  15          HG21      VAL  15   7.520   3.968   9.950
  109   HG22  VAL  15          HG22      VAL  15   7.441   5.244  11.185
  110   HG23  VAL  15          HG23      VAL  15   8.842   5.140  10.119
  111    H    GLY  16           H        GLY  16   8.013   0.228  12.157
  112    HA2  GLY  16           HA2      GLY  16   9.428  -0.323  14.724
  113    HA3  GLY  16           HA3      GLY  16   8.675  -1.490  13.593
  114    H    GLN  17           H        GLN  17   9.822  -2.490  12.131
  115    HA   GLN  17           HA       GLN  17  12.550  -1.672  11.368
  116    HB2  GLN  17           HB2      GLN  17  13.466  -3.793  12.070
  117    HB3  GLN  17           HB3      GLN  17  12.801  -2.957  13.463
  118    HG2  GLN  17           HG2      GLN  17  11.438  -5.249  11.959
  119    HG3  GLN  17           HG3      GLN  17  12.376  -5.399  13.448
  120   HE21  GLN  17          HE21      GLN  17   9.476  -6.033  12.875
  121   HE22  GLN  17          HE22      GLN  17   8.664  -5.186  14.204
  122    H    SER  18           H        SER  18  13.260  -2.785   9.452
  123    HA   SER  18           HA       SER  18  11.062  -3.830   7.768
  124    HB2  SER  18           HB2      SER  18  12.431  -2.137   6.794
  125    HB3  SER  18           HB3      SER  18  13.921  -3.024   7.189
  126    HG   SER  18           HG       SER  18  13.332  -3.352   5.007
  127    H    ILE  19           H        ILE  19  11.245  -5.669   6.530
  128    HA   ILE  19           HA       ILE  19  12.973  -7.919   7.477
  129    HB   ILE  19           HB       ILE  19  10.988  -9.440   7.405
  130   HG12  ILE  19          HG12      ILE  19   9.241  -6.942   7.509
  131   HG13  ILE  19          HG13      ILE  19   9.602  -7.788   5.991
  132   HG21  ILE  19          HG21      ILE  19  10.772  -7.252   9.501
  133   HG22  ILE  19          HG22      ILE  19  10.160  -8.917   9.627
  134   HG23  ILE  19          HG23      ILE  19  11.900  -8.619   9.534
  135   HD11  ILE  19          HD11      ILE  19   8.139  -8.959   8.361
  136   HD12  ILE  19          HD12      ILE  19   7.480  -8.525   6.776
  137   HD13  ILE  19          HD13      ILE  19   8.636  -9.868   6.905
  138    H    GLY  20           H        GLY  20  12.182  -6.071   4.924
  139    HA2  GLY  20           HA2      GLY  20  12.666  -7.830   2.749
  140    HA3  GLY  20           HA3      GLY  20  10.949  -7.864   3.112
  141    H    THR  21           H        THR  21  12.585  -6.711   0.805
  142    HA   THR  21           HA       THR  21  11.248  -4.028   0.754
  143    HB   THR  21           HB       THR  21  12.660  -3.286  -0.903
  144    HG1  THR  21           HG1      THR  21  13.467  -5.971  -1.282
  145   HG21  THR  21          HG21      THR  21  14.628  -5.049   0.597
  146   HG22  THR  21          HG22      THR  21  14.861  -3.409  -0.052
  147   HG23  THR  21          HG23      THR  21  13.841  -3.666   1.360
  148    H    VAL  22           H        VAL  22  10.257  -3.601  -1.468
  149    HA   VAL  22           HA       VAL  22   9.459  -6.140  -2.837
  150    HB   VAL  22           HB       VAL  22   7.635  -3.703  -2.651
  151   HG11  VAL  22          HG11      VAL  22   7.323  -6.511  -3.809
  152   HG12  VAL  22          HG12      VAL  22   6.018  -5.390  -3.658
  153   HG13  VAL  22          HG13      VAL  22   7.371  -5.007  -4.747
  154   HG21  VAL  22          HG21      VAL  22   7.661  -4.875  -0.462
  155   HG22  VAL  22          HG22      VAL  22   6.139  -5.173  -1.312
  156   HG23  VAL  22          HG23      VAL  22   7.400  -6.424  -1.293
  157    H    VAL  23           H        VAL  23  10.006  -6.192  -4.921
  158    HA   VAL  23           HA       VAL  23  11.369  -3.787  -5.971
  159    HB   VAL  23           HB       VAL  23  12.560  -5.850  -6.020
  160   HG11  VAL  23          HG11      VAL  23  10.672  -6.905  -8.072
  161   HG12  VAL  23          HG12      VAL  23  12.291  -7.543  -7.729
  162   HG13  VAL  23          HG13      VAL  23  11.097  -7.566  -6.447
  163   HG21  VAL  23          HG21      VAL  23  13.027  -3.939  -7.609
  164   HG22  VAL  23          HG22      VAL  23  13.543  -5.512  -8.240
  165   HG23  VAL  23          HG23      VAL  23  12.041  -4.769  -8.828
  166    H    ILE  24           H        ILE  24  10.540  -2.410  -7.263
  167    HA   ILE  24           HA       ILE  24   8.017  -2.938  -8.769
  168    HB   ILE  24           HB       ILE  24   9.544  -0.393  -8.095
  169   HG12  ILE  24          HG12      ILE  24   6.800  -1.004  -6.998
  170   HG13  ILE  24          HG13      ILE  24   8.124  -1.656  -6.163
  171   HG21  ILE  24          HG21      ILE  24   6.865  -0.662  -9.472
  172   HG22  ILE  24          HG22      ILE  24   7.659   0.853  -8.957
  173   HG23  ILE  24          HG23      ILE  24   8.389  -0.123 -10.216
  174   HD11  ILE  24          HD11      ILE  24   7.467   1.256  -6.675
  175   HD12  ILE  24          HD12      ILE  24   7.589   0.383  -5.140
  176   HD13  ILE  24          HD13      ILE  24   9.064   0.735  -6.074
  177    H    ASP  25           H        ASP  25   8.273  -3.382 -10.929
  178    HA   ASP  25           HA       ASP  25  10.401  -1.880 -12.360
  179    HB2  ASP  25           HB2      ASP  25  11.152  -4.129 -12.261
  180    HB3  ASP  25           HB3      ASP  25   9.636  -4.749 -12.974
  181    H    GLU  26           H        GLU  26   9.460  -0.388 -13.396
  182    HA   GLU  26           HA       GLU  26   6.697  -0.364 -14.092
  183    HB2  GLU  26           HB2      GLU  26   7.932   1.400 -12.982
  184    HB3  GLU  26           HB3      GLU  26   9.106   1.472 -14.315
  185    HG2  GLU  26           HG2      GLU  26   7.791   3.277 -14.314
  186    HG3  GLU  26           HG3      GLU  26   7.464   2.405 -15.815
  187    H    THR  27           H        THR  27   5.774   0.074 -16.045
  188    HA   THR  27           HA       THR  27   6.980  -0.505 -18.701
  189    HB   THR  27           HB       THR  27   7.479  -2.560 -17.651
  190    HG1  THR  27           HG1      THR  27   6.422  -3.828 -19.089
  191   HG21  THR  27          HG21      THR  27   4.551  -2.839 -16.923
  192   HG22  THR  27          HG22      THR  27   5.730  -4.167 -16.928
  193   HG23  THR  27          HG23      THR  27   5.954  -2.824 -15.828
  194    H    GLU  28           H        GLU  28   5.799  -0.832 -20.171
  195    HA   GLU  28           HA       GLU  28   3.542   0.416 -21.078
  196    HB2  GLU  28           HB2      GLU  28   4.870  -2.327 -21.165
  197    HB3  GLU  28           HB3      GLU  28   3.444  -1.966 -22.064
  198    HG2  GLU  28           HG2      GLU  28   6.076  -0.466 -22.304
  199    HG3  GLU  28           HG3      GLU  28   5.571  -1.776 -23.365
  200    H    GLY  29           H        GLY  29   3.653  -2.591 -19.168
  201    HA2  GLY  29           HA2      GLY  29   0.749  -2.491 -18.625
  202    HA3  GLY  29           HA3      GLY  29   1.846  -3.841 -18.201
  203    H    GLY  30           H        GLY  30   2.919  -0.817 -17.309
  204    HA2  GLY  30           HA2      GLY  30   3.156   0.482 -15.486
  205    HA3  GLY  30           HA3      GLY  30   1.660  -0.108 -14.815
  206    H    LEU  31           H        LEU  31   2.947   0.294 -12.903
  207    HA   LEU  31           HA       LEU  31   5.349  -0.732 -12.138
  208    HB2  LEU  31           HB2      LEU  31   2.891  -0.274 -10.396
  209    HB3  LEU  31           HB3      LEU  31   4.558  -0.332  -9.795
  210    HG   LEU  31           HG       LEU  31   3.494   1.756 -11.758
  211   HD11  LEU  31          HD11      LEU  31   3.970   1.927  -8.747
  212   HD12  LEU  31          HD12      LEU  31   3.552   3.289  -9.806
  213   HD13  LEU  31          HD13      LEU  31   2.393   1.965  -9.568
  214   HD21  LEU  31          HD21      LEU  31   5.967   1.374 -11.853
  215   HD22  LEU  31          HD22      LEU  31   5.528   2.989 -11.275
  216   HD23  LEU  31          HD23      LEU  31   6.054   1.764 -10.119
  217    H    LYS  32           H        LYS  32   5.892  -2.868 -12.612
  218    HA   LYS  32           HA       LYS  32   4.347  -5.117 -11.626
  219    HB2  LYS  32           HB2      LYS  32   5.906  -4.958 -13.714
  220    HB3  LYS  32           HB3      LYS  32   7.226  -5.241 -12.578
  221    HG2  LYS  32           HG2      LYS  32   5.553  -7.269 -11.828
  222    HG3  LYS  32           HG3      LYS  32   4.989  -6.998 -13.487
  223    HD2  LYS  32           HD2      LYS  32   6.557  -8.733 -13.611
  224    HD3  LYS  32           HD3      LYS  32   7.374  -7.302 -14.264
  225    HE2  LYS  32           HE2      LYS  32   8.577  -7.010 -12.108
  226    HE3  LYS  32           HE3      LYS  32   7.693  -8.400 -11.425
  227    HZ1  LYS  32           HZ1      LYS  32   9.675  -8.498 -13.627
  228    HZ2  LYS  32           HZ2      LYS  32   9.832  -9.175 -12.136
  229    HZ3  LYS  32           HZ3      LYS  32   8.747  -9.777 -13.201
  230    H    PHE  33           H        PHE  33   4.225  -5.482  -9.517
  231    HA   PHE  33           HA       PHE  33   6.377  -4.775  -7.625
  232    HB2  PHE  33           HB2      PHE  33   3.741  -4.202  -7.649
  233    HB3  PHE  33           HB3      PHE  33   3.626  -5.786  -6.873
  234    HD1  PHE  33           HD1      PHE  33   6.029  -2.933  -6.563
  235    HD2  PHE  33           HD2      PHE  33   3.048  -5.332  -4.625
  236    HE1  PHE  33           HE1      PHE  33   6.366  -1.633  -4.452
  237    HE2  PHE  33           HE2      PHE  33   3.339  -3.994  -2.541
  238    HZ   PHE  33           HZ       PHE  33   5.016  -2.181  -2.443
  239    H    THR  34           H        THR  34   7.784  -6.389  -6.905
  240    HA   THR  34           HA       THR  34   6.715  -9.195  -6.794
  241    HB   THR  34           HB       THR  34   9.589  -8.611  -7.423
  242    HG1  THR  34           HG1      THR  34   8.304  -7.708  -9.015
  243   HG21  THR  34          HG21      THR  34   7.786 -11.039  -7.761
  244   HG22  THR  34          HG22      THR  34   9.456 -10.912  -8.356
  245   HG23  THR  34          HG23      THR  34   9.126 -10.856  -6.617
  246    HA   PRO  35           HA       PRO  35   7.987  -8.173  -2.624
  247    HB2  PRO  35           HB2      PRO  35   6.684 -10.162  -1.264
  248    HB3  PRO  35           HB3      PRO  35   5.840  -8.764  -2.031
  249    HG2  PRO  35           HG2      PRO  35   6.236 -11.571  -3.063
  250    HG3  PRO  35           HG3      PRO  35   4.730 -10.605  -3.081
  251    HD2  PRO  35           HD2      PRO  35   6.382 -10.850  -5.255
  252    HD3  PRO  35           HD3      PRO  35   5.453  -9.353  -4.911
  253    H    HIS  36           H        HIS  36   9.366  -8.770  -0.979
  254    HA   HIS  36           HA       HIS  36  10.163 -11.553  -0.766
  255    HB2  HIS  36           HB2      HIS  36  12.393 -11.462  -1.253
  256    HB3  HIS  36           HB3      HIS  36  11.719 -10.400  -2.481
  257    HD1  HIS  36           HD1      HIS  36  14.396 -10.484   0.017
  258    HD2  HIS  36           HD2      HIS  36  12.011  -7.631  -1.891
  259    HE1  HIS  36           HE1      HIS  36  15.597  -8.252   0.388
  260    H    LEU  37           H        LEU  37   8.575 -10.880   0.955
  261    HA   LEU  37           HA       LEU  37  10.069 -10.098   3.426
  262    HB2  LEU  37           HB2      LEU  37   7.103  -9.790   3.029
  263    HB3  LEU  37           HB3      LEU  37   8.166  -9.109   4.281
  264    HG   LEU  37           HG       LEU  37   9.152  -7.984   1.898
  265   HD11  LEU  37          HD11      LEU  37   6.100  -8.079   1.816
  266   HD12  LEU  37          HD12      LEU  37   7.126  -7.032   0.831
  267   HD13  LEU  37          HD13      LEU  37   7.213  -8.791   0.623
  268   HD21  LEU  37          HD21      LEU  37   8.908  -6.844   4.029
  269   HD22  LEU  37          HD22      LEU  37   8.113  -5.921   2.744
  270   HD23  LEU  37          HD23      LEU  37   7.133  -6.885   3.885
  271    H    LYS  38           H        LYS  38   9.719 -11.313   5.269
  272    HA   LYS  38           HA       LYS  38   8.676 -14.066   4.876
  273    HB2  LYS  38           HB2      LYS  38  11.291 -12.949   5.978
  274    HB3  LYS  38           HB3      LYS  38  10.880 -14.652   6.044
  275    HG2  LYS  38           HG2      LYS  38  11.433 -15.070   4.006
  276    HG3  LYS  38           HG3      LYS  38  10.534 -13.734   3.297
  277    HD2  LYS  38           HD2      LYS  38  13.238 -13.370   4.657
  278    HD3  LYS  38           HD3      LYS  38  13.038 -13.700   2.913
  279    HE2  LYS  38           HE2      LYS  38  11.447 -11.789   2.761
  280    HE3  LYS  38           HE3      LYS  38  11.741 -11.389   4.441
  281    HZ1  LYS  38           HZ1      LYS  38  13.907 -11.470   2.411
  282    HZ2  LYS  38           HZ2      LYS  38  13.032 -10.129   2.768
  283    HZ3  LYS  38           HZ3      LYS  38  13.972 -10.809   3.940
  284    H    ALA  39           H        ALA  39   7.333 -12.047   6.624
  285    HA   ALA  39           HA       ALA  39   7.043 -13.758   8.995
  286    HB1  ALA  39           HB1      ALA  39   8.150 -10.941   9.377
  287    HB2  ALA  39           HB2      ALA  39   7.766 -12.112  10.643
  288    HB3  ALA  39           HB3      ALA  39   9.098 -12.437   9.532
  289    H    LEU  40           H        LEU  40   5.156 -12.770   6.925
  290    HA   LEU  40           HA       LEU  40   3.566 -10.756   8.438
  291    HB2  LEU  40           HB2      LEU  40   2.184 -11.365   5.992
  292    HB3  LEU  40           HB3      LEU  40   2.851  -9.913   6.597
  293    HG   LEU  40           HG       LEU  40   4.398 -12.088   5.084
  294   HD11  LEU  40          HD11      LEU  40   3.469  -9.500   3.791
  295   HD12  LEU  40          HD12      LEU  40   4.461 -10.801   3.078
  296   HD13  LEU  40          HD13      LEU  40   2.758 -11.091   3.526
  297   HD21  LEU  40          HD21      LEU  40   5.781 -10.275   6.365
  298   HD22  LEU  40          HD22      LEU  40   6.116 -10.738   4.681
  299   HD23  LEU  40          HD23      LEU  40   5.243  -9.208   5.048
  300    HA   PRO  41           HA       PRO  41   0.475 -13.613   9.270
  301    HB2  PRO  41           HB2      PRO  41  -1.936 -12.229   8.771
  302    HB3  PRO  41           HB3      PRO  41  -0.978 -12.115  10.274
  303    HG2  PRO  41           HG2      PRO  41  -0.860 -10.361   7.854
  304    HG3  PRO  41           HG3      PRO  41  -0.970  -9.859   9.574
  305    HD2  PRO  41           HD2      PRO  41   1.430  -9.888   8.374
  306    HD3  PRO  41           HD3      PRO  41   1.193 -10.603  10.012
  307    HA   PRO  42           HA       PRO  42   0.948 -15.139   5.402
  308    HB2  PRO  42           HB2      PRO  42   0.382 -17.740   5.714
  309    HB3  PRO  42           HB3      PRO  42   1.357 -16.902   6.953
  310    HG2  PRO  42           HG2      PRO  42  -1.674 -17.226   6.999
  311    HG3  PRO  42           HG3      PRO  42  -0.515 -17.903   8.176
  312    HD2  PRO  42           HD2      PRO  42  -1.586 -15.456   8.616
  313    HD3  PRO  42           HD3      PRO  42   0.165 -15.726   8.908
  314    H    GLY  43           H        GLY  43  -1.791 -13.936   5.527
  315    HA2  GLY  43           HA2      GLY  43  -3.063 -15.349   3.286
  316    HA3  GLY  43           HA3      GLY  43  -4.037 -14.477   4.508
  317    H    GLU  44           H        GLU  44  -3.816 -14.010   1.727
  318    HA   GLU  44           HA       GLU  44  -2.207 -12.074   0.704
  319    HB2  GLU  44           HB2      GLU  44  -3.930 -11.708  -0.968
  320    HB3  GLU  44           HB3      GLU  44  -3.916 -13.389  -0.508
  321    HG2  GLU  44           HG2      GLU  44  -5.810 -12.802   1.179
  322    HG3  GLU  44           HG3      GLU  44  -5.874 -11.254   0.311
  323    H    HIS  45           H        HIS  45  -2.029  -9.887   0.420
  324    HA   HIS  45           HA       HIS  45  -3.482  -8.116   2.341
  325    HB2  HIS  45           HB2      HIS  45  -0.482  -8.406   1.646
  326    HB3  HIS  45           HB3      HIS  45  -1.131  -6.911   2.316
  327    HD1  HIS  45           HD1      HIS  45  -2.800  -7.762   4.675
  328    HD2  HIS  45           HD2      HIS  45   0.065 -10.309   3.077
  329    HE1  HIS  45           HE1      HIS  45  -2.529  -9.667   6.353
  330    HE2  HIS  45           HE2      HIS  45  -0.726 -11.209   5.375
  331    H    GLY  46           H        GLY  46  -4.522  -6.454   1.431
  332    HA2  GLY  46           HA2      GLY  46  -4.367  -5.558  -1.197
  333    HA3  GLY  46           HA3      GLY  46  -4.894  -4.555   0.175
  334    H    PHE  47           H        PHE  47  -3.430  -3.513  -2.137
  335    HA   PHE  47           HA       PHE  47  -1.062  -2.402  -0.711
  336    HB2  PHE  47           HB2      PHE  47  -0.149  -4.090  -2.062
  337    HB3  PHE  47           HB3      PHE  47  -1.286  -3.780  -3.376
  338    HD1  PHE  47           HD1      PHE  47   0.692  -0.920  -1.979
  339    HD2  PHE  47           HD2      PHE  47   0.548  -4.082  -4.895
  340    HE1  PHE  47           HE1      PHE  47   2.305   0.328  -3.414
  341    HE2  PHE  47           HE2      PHE  47   2.193  -2.815  -6.330
  342    HZ   PHE  47           HZ       PHE  47   3.038  -0.640  -5.585
  343    H    HIS  48           H        HIS  48  -1.253  -0.238  -0.579
  344    HA   HIS  48           HA       HIS  48  -2.472   1.172  -2.967
  345    HB2  HIS  48           HB2      HIS  48  -2.332   2.341  -0.186
  346    HB3  HIS  48           HB3      HIS  48  -3.139   3.033  -1.590
  347    HD2  HIS  48           HD2      HIS  48  -4.938   0.382  -2.375
  348    HE1  HIS  48           HE1      HIS  48  -6.237   0.452   1.657
  349    HE2  HIS  48           HE2      HIS  48  -6.711  -0.416  -0.705
  350    H    ILE  49           H        ILE  49  -1.697   3.177  -3.536
  351    HA   ILE  49           HA       ILE  49   0.947   4.142  -2.495
  352    HB   ILE  49           HB       ILE  49  -0.410   4.604  -5.182
  353   HG12  ILE  49          HG12      ILE  49   2.418   3.603  -4.599
  354   HG13  ILE  49          HG13      ILE  49   1.042   2.498  -4.781
  355   HG21  ILE  49          HG21      ILE  49   2.045   6.008  -4.015
  356   HG22  ILE  49          HG22      ILE  49   1.486   6.156  -5.694
  357   HG23  ILE  49          HG23      ILE  49   0.484   6.764  -4.388
  358   HD11  ILE  49          HD11      ILE  49   2.103   4.374  -6.921
  359   HD12  ILE  49          HD12      ILE  49   2.219   2.610  -6.869
  360   HD13  ILE  49          HD13      ILE  49   0.634   3.383  -7.071
  361    H    HIS  50           H        HIS  50   0.950   6.199  -1.672
  362    HA   HIS  50           HA       HIS  50  -1.733   7.368  -1.063
  363    HB2  HIS  50           HB2      HIS  50   0.672   6.834   0.695
  364    HB3  HIS  50           HB3      HIS  50  -0.462   8.125   1.047
  365    HD1  HIS  50           HD1      HIS  50  -1.965   7.422   2.896
  366    HD2  HIS  50           HD2      HIS  50  -1.260   4.389   0.099
  367    HE1  HIS  50           HE1      HIS  50  -3.332   5.403   3.705
  368    H    ALA  51           H        ALA  51  -1.580   9.690  -0.410
  369    HA   ALA  51           HA       ALA  51  -0.527  11.048  -2.713
  370    HB1  ALA  51           HB1      ALA  51  -1.893  12.153  -0.210
  371    HB2  ALA  51           HB2      ALA  51  -1.700  13.006  -1.753
  372    HB3  ALA  51           HB3      ALA  51  -2.729  11.560  -1.664
  373    H    ASN  52           H        ASN  52   0.526  11.106   0.658
  374    HA   ASN  52           HA       ASN  52   2.854  12.816  -0.137
  375    HB2  ASN  52           HB2      ASN  52   1.526  12.608   2.583
  376    HB3  ASN  52           HB3      ASN  52   2.925  13.605   2.185
  377   HD21  ASN  52          HD21      ASN  52  -0.283  13.905   2.744
  378   HD22  ASN  52          HD22      ASN  52  -0.605  15.266   1.676
  379    H    GLY  53           H        GLY  53   4.212  12.200   2.435
  380    HA2  GLY  53           HA2      GLY  53   5.705  10.051   1.000
  381    HA3  GLY  53           HA3      GLY  53   6.358  11.540   1.658
  382    H    SER  54           H        SER  54   4.576  10.338   4.310
  383    HA   SER  54           HA       SER  54   6.622   8.295   4.953
  384    HB2  SER  54           HB2      SER  54   7.670  10.576   5.380
  385    HB3  SER  54           HB3      SER  54   6.525  10.735   6.727
  386    HG   SER  54           HG       SER  54   8.147   9.725   7.706
  387    H    CYS  55           H        CYS  55   6.142   6.825   6.332
  388    HA   CYS  55           HA       CYS  55   3.653   6.302   7.356
  389    HB2  CYS  55           HB2      CYS  55   6.278   5.072   8.223
  390    HB3  CYS  55           HB3      CYS  55   4.733   4.272   7.992
  391    H    GLN  56           H        GLN  56   4.097   8.763   8.665
  392    HA   GLN  56           HA       GLN  56   4.682   8.008  11.522
  393    HB2  GLN  56           HB2      GLN  56   5.112  10.583  10.022
  394    HB3  GLN  56           HB3      GLN  56   4.807  10.594  11.753
  395    HG2  GLN  56           HG2      GLN  56   7.109  10.571  11.663
  396    HG3  GLN  56           HG3      GLN  56   6.715   8.897  12.019
  397   HE21  GLN  56          HE21      GLN  56   6.908   7.298  10.088
  398   HE22  GLN  56          HE22      GLN  56   7.969   7.788   8.782
  399    HA   PRO  57           HA       PRO  57   0.297   9.014  12.186
  400    HB2  PRO  57           HB2      PRO  57   0.004   7.863  14.653
  401    HB3  PRO  57           HB3      PRO  57   0.042   6.909  13.152
  402    HG2  PRO  57           HG2      PRO  57   2.298   7.415  15.096
  403    HG3  PRO  57           HG3      PRO  57   1.812   5.870  14.332
  404    HD2  PRO  57           HD2      PRO  57   3.863   7.448  13.403
  405    HD3  PRO  57           HD3      PRO  57   2.865   6.432  12.317
  406    H    ALA  58           H        ALA  58  -0.635  10.692  13.245
  407    HA   ALA  58           HA       ALA  58   0.736  12.078  15.469
  408    HB1  ALA  58           HB1      ALA  58  -1.959  12.624  14.166
  409    HB2  ALA  58           HB2      ALA  58  -1.114  13.628  15.362
  410    HB3  ALA  58           HB3      ALA  58  -0.430  13.424  13.739
  411    H    ILE  59           H        ILE  59   0.194  11.679  17.587
  412    HA   ILE  59           HA       ILE  59  -2.164   9.965  18.247
  413    HB   ILE  59           HB       ILE  59  -0.273  11.334  20.191
  414   HG12  ILE  59          HG12      ILE  59   1.154   9.846  18.971
  415   HG13  ILE  59          HG13      ILE  59   0.816   9.152  20.541
  416   HG21  ILE  59          HG21      ILE  59  -2.329   9.093  20.480
  417   HG22  ILE  59          HG22      ILE  59  -1.207   9.616  21.752
  418   HG23  ILE  59          HG23      ILE  59  -2.434  10.732  21.145
  419   HD11  ILE  59          HD11      ILE  59  -0.423   8.282  17.894
  420   HD12  ILE  59          HD12      ILE  59   0.801   7.418  18.832
  421   HD13  ILE  59          HD13      ILE  59  -0.836   7.593  19.487
  422    H    LYS  60           H        LYS  60  -4.035  10.965  18.043
  423    HA   LYS  60           HA       LYS  60  -4.455  13.804  18.798
  424    HB2  LYS  60           HB2      LYS  60  -3.369  13.693  16.569
  425    HB3  LYS  60           HB3      LYS  60  -4.655  12.636  15.988
  426    HG2  LYS  60           HG2      LYS  60  -6.301  14.451  16.276
  427    HG3  LYS  60           HG3      LYS  60  -5.036  15.516  16.909
  428    HD2  LYS  60           HD2      LYS  60  -5.020  14.294  14.107
  429    HD3  LYS  60           HD3      LYS  60  -5.601  15.917  14.506
  430    HE2  LYS  60           HE2      LYS  60  -3.353  16.491  15.422
  431    HE3  LYS  60           HE3      LYS  60  -2.759  14.899  14.951
  432    HZ1  LYS  60           HZ1      LYS  60  -3.752  16.976  13.085
  433    HZ2  LYS  60           HZ2      LYS  60  -2.172  16.539  13.326
  434    HZ3  LYS  60           HZ3      LYS  60  -3.201  15.504  12.610
  435    H    ASP  61           H        ASP  61  -6.571  14.257  19.295
  436    HA   ASP  61           HA       ASP  61  -8.595  13.768  20.201
  437    HB2  ASP  61           HB2      ASP  61  -9.079  14.077  17.773
  438    HB3  ASP  61           HB3      ASP  61  -9.056  12.329  17.568
  439    H    GLY  62           H        GLY  62  -6.809  12.181  21.348
  440    HA2  GLY  62           HA2      GLY  62  -6.945  10.544  22.971
  441    HA3  GLY  62           HA3      GLY  62  -8.355   9.826  22.169
  442    H    GLN  63           H        GLN  63  -6.455   9.869  19.591
  443    HA   GLN  63           HA       GLN  63  -5.338   7.167  20.198
  444    HB2  GLN  63           HB2      GLN  63  -6.858   6.191  18.543
  445    HB3  GLN  63           HB3      GLN  63  -7.752   7.005  19.820
  446    HG2  GLN  63           HG2      GLN  63  -7.820   9.052  18.157
  447    HG3  GLN  63           HG3      GLN  63  -7.387   7.866  16.936
  448   HE21  GLN  63          HE21      GLN  63  -9.981   9.366  18.527
  449   HE22  GLN  63          HE22      GLN  63 -11.228   8.232  17.978
  450    H    ALA  64           H        ALA  64  -4.315   6.087  18.258
  451    HA   ALA  64           HA       ALA  64  -2.549   8.015  16.925
  452    HB1  ALA  64           HB1      ALA  64  -2.688   4.975  16.750
  453    HB2  ALA  64           HB2      ALA  64  -1.357   6.007  16.180
  454    HB3  ALA  64           HB3      ALA  64  -1.700   5.886  17.914
  455    H    VAL  65           H        VAL  65  -3.065   8.944  15.001
  456    HA   VAL  65           HA       VAL  65  -5.267   7.944  13.415
  457    HB   VAL  65           HB       VAL  65  -5.020   9.798  11.934
  458   HG11  VAL  65          HG11      VAL  65  -4.514  10.657  14.808
  459   HG12  VAL  65          HG12      VAL  65  -5.292  11.616  13.527
  460   HG13  VAL  65          HG13      VAL  65  -6.079  10.142  14.133
  461   HG21  VAL  65          HG21      VAL  65  -2.583   9.927  11.625
  462   HG22  VAL  65          HG22      VAL  65  -3.202  11.477  12.226
  463   HG23  VAL  65          HG23      VAL  65  -2.380  10.354  13.328
  464    H    ALA  66           H        ALA  66  -2.957   6.114  13.530
  465    HA   ALA  66           HA       ALA  66  -1.864   4.577  12.337
  466    HB1  ALA  66           HB1      ALA  66  -3.641   5.346   9.992
  467    HB2  ALA  66           HB2      ALA  66  -2.750   3.826  10.225
  468    HB3  ALA  66           HB3      ALA  66  -4.092   4.245  11.313
  469    H    ALA  67           H        ALA  67  -2.115   7.285  10.027
  470    HA   ALA  67           HA       ALA  67   0.636   7.981  10.202
  471    HB1  ALA  67           HB1      ALA  67  -0.151   6.500   7.673
  472    HB2  ALA  67           HB2      ALA  67   1.332   7.437   7.876
  473    HB3  ALA  67           HB3      ALA  67   1.073   5.970   8.849
  474    H    GLU  68           H        GLU  68   0.511  10.174   9.948
  475    HA   GLU  68           HA       GLU  68  -1.742  11.312   8.341
  476    HB2  GLU  68           HB2      GLU  68  -1.425  11.981  10.761
  477    HB3  GLU  68           HB3      GLU  68   0.076  12.781  10.295
  478    HG2  GLU  68           HG2      GLU  68  -1.145  14.284   8.800
  479    HG3  GLU  68           HG3      GLU  68  -2.642  13.372   9.026
  480    H    ALA  69           H        ALA  69   1.838  11.541   8.747
  481    HA   ALA  69           HA       ALA  69   2.211  13.379   6.578
  482    HB1  ALA  69           HB1      ALA  69   4.149  11.461   7.949
  483    HB2  ALA  69           HB2      ALA  69   4.603  12.820   6.901
  484    HB3  ALA  69           HB3      ALA  69   3.786  13.129   8.448
  485    H    ALA  70           H        ALA  70   1.184  10.243   6.308
  486    HA   ALA  70           HA       ALA  70   2.409   9.699   3.663
  487    HB1  ALA  70           HB1      ALA  70   0.329   8.189   5.310
  488    HB2  ALA  70           HB2      ALA  70   1.094   7.626   3.807
  489    HB3  ALA  70           HB3      ALA  70   2.078   7.845   5.266
  490    H    GLY  71           H        GLY  71  -0.510  11.215   4.991
  491    HA2  GLY  71           HA2      GLY  71  -2.322  12.179   3.875
  492    HA3  GLY  71           HA3      GLY  71  -1.569  11.789   2.325
  493    H    GLY  72           H        GLY  72  -4.094  11.487   2.159
  494    HA2  GLY  72           HA2      GLY  72  -5.099   8.814   2.774
  495    HA3  GLY  72           HA3      GLY  72  -5.801   9.982   1.637
  496    H    HIS  73           H        HIS  73  -6.101   7.681   0.616
  497    HA   HIS  73           HA       HIS  73  -3.961   6.468  -0.910
  498    HB2  HIS  73           HB2      HIS  73  -6.891   6.780  -1.691
  499    HB3  HIS  73           HB3      HIS  73  -5.726   5.698  -2.442
  500    HD2  HIS  73           HD2      HIS  73  -5.313   5.346   1.242
  501    HE1  HIS  73           HE1      HIS  73  -8.191   2.383   0.267
  502    HE2  HIS  73           HE2      HIS  73  -6.630   3.301   2.075
  503    H    LEU  74           H        LEU  74  -3.269   6.954  -3.113
  504    HA   LEU  74           HA       LEU  74  -3.283   9.722  -3.775
  505    HB2  LEU  74           HB2      LEU  74  -1.474   8.239  -4.376
  506    HB3  LEU  74           HB3      LEU  74  -2.517   7.319  -5.448
  507    HG   LEU  74           HG       LEU  74  -2.785   9.248  -6.942
  508   HD11  LEU  74          HD11      LEU  74  -0.958  10.656  -4.957
  509   HD12  LEU  74          HD12      LEU  74  -1.257  11.234  -6.615
  510   HD13  LEU  74          HD13      LEU  74  -2.587  11.145  -5.456
  511   HD21  LEU  74          HD21      LEU  74  -0.967   7.604  -7.272
  512   HD22  LEU  74          HD22      LEU  74  -0.498   9.215  -7.819
  513   HD23  LEU  74          HD23      LEU  74   0.117   8.593  -6.273
  514    H    ASP  75           H        ASP  75  -5.203  10.596  -3.908
  515    HA   ASP  75           HA       ASP  75  -6.227  10.853  -6.592
  516    HB2  ASP  75           HB2      ASP  75  -7.797   9.164  -5.860
  517    HB3  ASP  75           HB3      ASP  75  -8.134  10.055  -4.366
  518    HA   PRO  76           HA       PRO  76  -6.488  14.875  -4.431
  519    HB2  PRO  76           HB2      PRO  76  -5.995  16.540  -6.491
  520    HB3  PRO  76           HB3      PRO  76  -4.717  15.487  -5.815
  521    HG2  PRO  76           HG2      PRO  76  -6.405  15.021  -8.289
  522    HG3  PRO  76           HG3      PRO  76  -4.634  14.846  -8.106
  523    HD2  PRO  76           HD2      PRO  76  -6.435  12.741  -7.898
  524    HD3  PRO  76           HD3      PRO  76  -4.853  12.774  -7.066
  525    H    GLN  77           H        GLN  77  -8.695  13.616  -6.896
  526    HA   GLN  77           HA       GLN  77 -10.782  15.506  -6.241
  527    HB2  GLN  77           HB2      GLN  77 -10.845  16.876  -8.201
  528    HB3  GLN  77           HB3      GLN  77  -9.239  17.021  -7.512
  529    HG2  GLN  77           HG2      GLN  77  -8.444  15.297  -9.226
  530    HG3  GLN  77           HG3      GLN  77 -10.050  15.360  -9.943
  531   HE21  GLN  77          HE21      GLN  77  -8.680  16.001 -11.901
  532   HE22  GLN  77          HE22      GLN  77  -8.352  17.714 -12.074
  533    H    ASN  78           H        ASN  78  -9.885  12.626  -7.956
  534    HA   ASN  78           HA       ASN  78 -11.769  12.622 -10.080
  535    HB2  ASN  78           HB2      ASN  78 -10.495  10.327  -8.514
  536    HB3  ASN  78           HB3      ASN  78 -11.493  10.106  -9.941
  537   HD21  ASN  78          HD21      ASN  78  -8.385  11.433  -8.814
  538   HD22  ASN  78          HD22      ASN  78  -7.668  11.424 -10.439
  539    H    THR  79           H        THR  79 -12.117  11.615  -6.703
  540    HA   THR  79           HA       THR  79 -15.000  11.815  -6.695
  541    HB   THR  79           HB       THR  79 -15.017   9.834  -8.014
  542    HG1  THR  79           HG1      THR  79 -16.553   9.470  -6.770
  543   HG21  THR  79          HG21      THR  79 -13.284   8.414  -5.960
  544   HG22  THR  79          HG22      THR  79 -14.069   7.731  -7.400
  545   HG23  THR  79          HG23      THR  79 -12.763   8.900  -7.587
  546    H    GLY  80           H        GLY  80 -12.102  10.468  -5.094
  547    HA2  GLY  80           HA2      GLY  80 -11.591  10.450  -2.822
  548    HA3  GLY  80           HA3      GLY  80 -13.162  11.203  -2.447
  549    H    LYS  81           H        LYS  81 -14.458   8.866  -4.163
  550    HA   LYS  81           HA       LYS  81 -14.568   6.941  -1.958
  551    HB2  LYS  81           HB2      LYS  81 -16.432   6.101  -2.839
  552    HB3  LYS  81           HB3      LYS  81 -16.508   7.711  -3.531
  553    HG2  LYS  81           HG2      LYS  81 -15.526   6.707  -5.682
  554    HG3  LYS  81           HG3      LYS  81 -15.697   5.116  -4.919
  555    HD2  LYS  81           HD2      LYS  81 -18.143   5.640  -4.530
  556    HD3  LYS  81           HD3      LYS  81 -17.923   7.119  -5.487
  557    HE2  LYS  81           HE2      LYS  81 -17.222   5.713  -7.438
  558    HE3  LYS  81           HE3      LYS  81 -17.475   4.259  -6.454
  559    HZ1  LYS  81           HZ1      LYS  81 -19.554   6.217  -7.255
  560    HZ2  LYS  81           HZ2      LYS  81 -19.476   4.664  -7.744
  561    HZ3  LYS  81           HZ3      LYS  81 -19.819   4.957  -6.193
  562    H    HIS  82           H        HIS  82 -14.168   4.623  -2.239
  563    HA   HIS  82           HA       HIS  82 -11.490   4.270  -3.398
  564    HB2  HIS  82           HB2      HIS  82 -12.026   3.540  -1.110
  565    HB3  HIS  82           HB3      HIS  82 -13.232   2.424  -1.739
  566    HD2  HIS  82           HD2      HIS  82 -12.428   0.032  -2.009
  567    HE1  HIS  82           HE1      HIS  82  -8.270   0.570  -2.574
  568    HE2  HIS  82           HE2      HIS  82 -10.151  -1.129  -2.349
  569    H    GLU  83           H        GLU  83 -10.861   2.562  -4.834
  570    HA   GLU  83           HA       GLU  83 -12.858   1.973  -6.915
  571    HB2  GLU  83           HB2      GLU  83 -10.527   2.818  -7.381
  572    HB3  GLU  83           HB3      GLU  83  -9.896   1.262  -6.855
  573    HG2  GLU  83           HG2      GLU  83 -10.654   0.177  -8.772
  574    HG3  GLU  83           HG3      GLU  83 -12.072   1.216  -8.935
  575    H    GLY  84           H        GLY  84 -11.940  -0.609  -7.747
  576    HA2  GLY  84           HA2      GLY  84 -11.753  -2.647  -5.906
  577    HA3  GLY  84           HA3      GLY  84 -13.455  -2.233  -5.883
  578    HA   PRO  85           HA       PRO  85 -12.914  -5.276  -9.281
  579    HB2  PRO  85           HB2      PRO  85 -15.313  -6.538  -9.147
  580    HB3  PRO  85           HB3      PRO  85 -14.053  -6.744  -7.888
  581    HG2  PRO  85           HG2      PRO  85 -16.453  -4.879  -7.829
  582    HG3  PRO  85           HG3      PRO  85 -15.919  -6.031  -6.564
  583    HD2  PRO  85           HD2      PRO  85 -15.254  -3.376  -6.523
  584    HD3  PRO  85           HD3      PRO  85 -14.152  -4.640  -5.903
  585    H    GLU  86           H        GLU  86 -15.025  -2.554  -9.181
  586    HA   GLU  86           HA       GLU  86 -15.188  -2.232 -11.967
  587    HB2  GLU  86           HB2      GLU  86 -17.625  -2.378 -12.274
  588    HB3  GLU  86           HB3      GLU  86 -16.899  -3.947 -12.003
  589    HG2  GLU  86           HG2      GLU  86 -17.699  -4.007  -9.695
  590    HG3  GLU  86           HG3      GLU  86 -18.303  -2.347  -9.820
  591    H    GLY  87           H        GLY  87 -16.863  -0.303 -12.372
  592    HA2  GLY  87           HA2      GLY  87 -17.607   1.840 -11.763
  593    HA3  GLY  87           HA3      GLY  87 -17.072   1.552 -10.091
  594    H    GLN  88           H        GLN  88 -15.777   3.295  -9.709
  595    HA   GLN  88           HA       GLN  88 -13.162   3.436 -10.846
  596    HB2  GLN  88           HB2      GLN  88 -14.922   4.743 -12.471
  597    HB3  GLN  88           HB3      GLN  88 -14.650   6.023 -11.313
  598    HG2  GLN  88           HG2      GLN  88 -12.531   4.560 -12.969
  599    HG3  GLN  88           HG3      GLN  88 -13.203   6.151 -13.323
  600   HE21  GLN  88          HE21      GLN  88 -13.078   7.292 -10.627
  601   HE22  GLN  88          HE22      GLN  88 -11.386   7.290 -10.160
  602    H    GLY  89           H        GLY  89 -11.853   4.322  -9.301
  603    HA2  GLY  89           HA2      GLY  89 -13.019   5.927  -7.039
  604    HA3  GLY  89           HA3      GLY  89 -12.100   4.479  -6.749
  605    H    HIS  90           H        HIS  90 -10.329   5.223  -5.748
  606    HA   HIS  90           HA       HIS  90  -8.710   7.405  -6.827
  607    HB2  HIS  90           HB2      HIS  90  -7.535   5.397  -4.940
  608    HB3  HIS  90           HB3      HIS  90  -7.308   7.116  -5.009
  609    HD2  HIS  90           HD2      HIS  90  -9.803   8.517  -4.223
  610    HE1  HIS  90           HE1      HIS  90 -10.488   5.726  -1.099
  611    HE2  HIS  90           HE2      HIS  90 -11.036   8.040  -2.000
  612    H    LEU  91           H        LEU  91  -6.998   7.206  -8.282
  613    HA   LEU  91           HA       LEU  91  -6.424   4.613  -9.466
  614    HB2  LEU  91           HB2      LEU  91  -4.866   5.717 -10.885
  615    HB3  LEU  91           HB3      LEU  91  -6.403   6.536 -10.876
  616    HG   LEU  91           HG       LEU  91  -4.541   8.041 -11.117
  617   HD11  LEU  91          HD11      LEU  91  -5.835   8.601  -8.427
  618   HD12  LEU  91          HD12      LEU  91  -5.153   9.763  -9.568
  619   HD13  LEU  91          HD13      LEU  91  -6.612   8.857 -10.006
  620   HD21  LEU  91          HD21      LEU  91  -2.849   6.783  -9.772
  621   HD22  LEU  91          HD22      LEU  91  -2.889   8.528  -9.470
  622   HD23  LEU  91          HD23      LEU  91  -3.616   7.421  -8.297
  623    H    GLY  92           H        GLY  92  -5.256   6.120  -6.654
  624    HA2  GLY  92           HA2      GLY  92  -2.729   4.718  -6.461
  625    HA3  GLY  92           HA3      GLY  92  -3.595   5.594  -5.169
  626    H    ASP  93           H        ASP  93  -5.352   3.008  -6.693
  627    HA   ASP  93           HA       ASP  93  -4.858   1.295  -4.299
  628    HB2  ASP  93           HB2      ASP  93  -7.344   1.530  -6.026
  629    HB3  ASP  93           HB3      ASP  93  -7.141   0.462  -4.632
  630    H    LEU  94           H        LEU  94  -4.176  -0.805  -4.612
  631    HA   LEU  94           HA       LEU  94  -3.542  -1.629  -7.400
  632    HB2  LEU  94           HB2      LEU  94  -1.577  -1.516  -5.057
  633    HB3  LEU  94           HB3      LEU  94  -1.238  -2.097  -6.652
  634    HG   LEU  94           HG       LEU  94  -2.051   0.377  -7.340
  635   HD11  LEU  94          HD11      LEU  94  -0.843   0.782  -4.606
  636   HD12  LEU  94          HD12      LEU  94  -1.232   2.060  -5.792
  637   HD13  LEU  94          HD13      LEU  94  -2.520   1.109  -5.059
  638   HD21  LEU  94          HD21      LEU  94   0.408  -0.824  -7.420
  639   HD22  LEU  94          HD22      LEU  94   0.146   0.892  -7.801
  640   HD23  LEU  94          HD23      LEU  94   0.723   0.407  -6.211
  641    HA   PRO  95           HA       PRO  95  -4.950  -5.528  -6.276
  642    HB2  PRO  95           HB2      PRO  95  -3.480  -7.335  -7.740
  643    HB3  PRO  95           HB3      PRO  95  -4.627  -6.162  -8.460
  644    HG2  PRO  95           HG2      PRO  95  -1.624  -5.878  -8.148
  645    HG3  PRO  95           HG3      PRO  95  -2.629  -5.607  -9.611
  646    HD2  PRO  95           HD2      PRO  95  -1.830  -3.584  -7.981
  647    HD3  PRO  95           HD3      PRO  95  -3.445  -3.556  -8.758
  648    H    VAL  96           H        VAL  96  -4.532  -7.696  -5.416
  649    HA   VAL  96           HA       VAL  96  -3.399  -7.102  -2.901
  650    HB   VAL  96           HB       VAL  96  -4.485  -9.831  -3.617
  651   HG11  VAL  96          HG11      VAL  96  -4.725  -8.178  -1.108
  652   HG12  VAL  96          HG12      VAL  96  -5.278  -9.835  -1.346
  653   HG13  VAL  96          HG13      VAL  96  -3.536  -9.484  -1.367
  654   HG21  VAL  96          HG21      VAL  96  -6.158  -8.278  -4.519
  655   HG22  VAL  96          HG22      VAL  96  -6.742  -9.015  -3.026
  656   HG23  VAL  96          HG23      VAL  96  -6.131  -7.344  -3.001
  657    H    LEU  97           H        LEU  97  -1.510  -7.422  -2.138
  658    HA   LEU  97           HA       LEU  97   0.701  -8.950  -3.167
  659    HB2  LEU  97           HB2      LEU  97   0.550  -6.736  -1.789
  660    HB3  LEU  97           HB3      LEU  97   0.209  -7.717  -0.421
  661    HG   LEU  97           HG       LEU  97   2.340  -7.539   0.021
  662   HD11  LEU  97          HD11      LEU  97   2.791  -9.515  -2.244
  663   HD12  LEU  97          HD12      LEU  97   3.895  -9.188  -0.887
  664   HD13  LEU  97          HD13      LEU  97   2.334  -9.937  -0.567
  665   HD21  LEU  97          HD21      LEU  97   2.624  -5.823  -1.605
  666   HD22  LEU  97          HD22      LEU  97   4.077  -6.835  -1.537
  667   HD23  LEU  97          HD23      LEU  97   2.933  -7.018  -2.895
  668    H    VAL  98           H        VAL  98  -0.207 -11.099  -3.321
  669    HA   VAL  98           HA       VAL  98  -1.312 -12.517  -1.102
  670    HB   VAL  98           HB       VAL  98   0.133 -13.866  -3.411
  671   HG11  VAL  98          HG11      VAL  98  -2.317 -14.656  -1.742
  672   HG12  VAL  98          HG12      VAL  98  -1.587 -15.619  -3.043
  673   HG13  VAL  98          HG13      VAL  98  -0.703 -15.346  -1.545
  674   HG21  VAL  98          HG21      VAL  98  -1.355 -12.274  -4.469
  675   HG22  VAL  98          HG22      VAL  98  -2.108 -13.862  -4.559
  676   HG23  VAL  98          HG23      VAL  98  -2.680 -12.689  -3.350
  677    H    VAL  99           H        VAL  99  -0.352 -14.112   0.231
  678    HA   VAL  99           HA       VAL  99   2.597 -14.242   0.583
  679    HB   VAL  99           HB       VAL  99   0.914 -14.680   3.015
  680   HG11  VAL  99          HG11      VAL  99   3.545 -13.132   2.746
  681   HG12  VAL  99          HG12      VAL  99   2.737 -13.560   4.231
  682   HG13  VAL  99          HG13      VAL  99   3.363 -14.845   3.186
  683   HG21  VAL  99          HG21      VAL  99  -0.230 -12.706   2.289
  684   HG22  VAL  99          HG22      VAL  99   0.795 -12.340   3.674
  685   HG23  VAL  99          HG23      VAL  99   1.307 -11.860   2.028
  686    H    ASN 100           H        ASN 100   3.233 -16.439   1.177
  687    HA   ASN 100           HA       ASN 100   1.177 -18.501   0.706
  688    HB2  ASN 100           HB2      ASN 100   2.818 -19.915   0.269
  689    HB3  ASN 100           HB3      ASN 100   3.835 -18.488   0.139
  690   HD21  ASN 100          HD21      ASN 100   5.247 -17.984   1.961
  691   HD22  ASN 100          HD22      ASN 100   5.645 -19.267   3.132
  692    H    ASN 101           H        ASN 101   0.756 -20.215   2.237
  693    HA   ASN 101           HA       ASN 101  -0.360 -19.374   4.580
  694    HB2  ASN 101           HB2      ASN 101  -1.034 -21.525   4.881
  695    HB3  ASN 101           HB3      ASN 101  -0.636 -21.552   3.165
  696   HD21  ASN 101          HD21      ASN 101   2.243 -21.858   3.270
  697   HD22  ASN 101          HD22      ASN 101   2.617 -23.209   4.289
  698    H    ASP 102           H        ASP 102   3.013 -19.955   4.305
  699    HA   ASP 102           HA       ASP 102   3.520 -20.466   7.168
  700    HB2  ASP 102           HB2      ASP 102   4.540 -21.699   5.154
  701    HB3  ASP 102           HB3      ASP 102   5.458 -20.232   4.834
  702    H    GLY 103           H        GLY 103   3.112 -17.688   5.276
  703    HA2  GLY 103           HA2      GLY 103   3.227 -15.504   6.127
  704    HA3  GLY 103           HA3      GLY 103   4.442 -16.002   7.322
  705    H    ILE 104           H        ILE 104   5.146 -16.976   4.134
  706    HA   ILE 104           HA       ILE 104   7.032 -14.681   3.699
  707    HB   ILE 104           HB       ILE 104   7.316 -17.611   2.920
  708   HG12  ILE 104          HG12      ILE 104   9.348 -16.147   4.595
  709   HG13  ILE 104          HG13      ILE 104   7.898 -16.731   5.384
  710   HG21  ILE 104          HG21      ILE 104   9.110 -15.248   2.244
  711   HG22  ILE 104          HG22      ILE 104   9.588 -16.947   2.053
  712   HG23  ILE 104          HG23      ILE 104   8.247 -16.307   1.111
  713   HD11  ILE 104          HD11      ILE 104   9.859 -18.451   3.810
  714   HD12  ILE 104          HD12      ILE 104   9.688 -18.370   5.573
  715   HD13  ILE 104          HD13      ILE 104   8.368 -19.031   4.592
  716    H    ALA 105           H        ALA 105   6.878 -13.549   1.890
  717    HA   ALA 105           HA       ALA 105   4.899 -14.363  -0.201
  718    HB1  ALA 105           HB1      ALA 105   6.036 -11.617   0.537
  719    HB2  ALA 105           HB2      ALA 105   4.831 -11.956  -0.730
  720    HB3  ALA 105           HB3      ALA 105   4.414 -12.229   0.954
  721    H    THR 106           H        THR 106   5.443 -14.475  -2.251
  722    HA   THR 106           HA       THR 106   7.862 -13.223  -3.378
  723    HB   THR 106           HB       THR 106   8.606 -15.439  -2.602
  724    HG1  THR 106           HG1      THR 106   8.485 -14.733  -5.314
  725   HG21  THR 106          HG21      THR 106   6.792 -16.565  -4.796
  726   HG22  THR 106          HG22      THR 106   7.972 -17.464  -3.825
  727   HG23  THR 106          HG23      THR 106   6.534 -16.778  -3.052
  728    H    GLU 107           H        GLU 107   4.634 -14.062  -3.653
  729    HA   GLU 107           HA       GLU 107   4.319 -14.547  -6.384
  730    HB2  GLU 107           HB2      GLU 107   2.331 -13.353  -4.407
  731    HB3  GLU 107           HB3      GLU 107   1.964 -14.103  -5.957
  732    HG2  GLU 107           HG2      GLU 107   1.556 -15.904  -4.655
  733    HG3  GLU 107           HG3      GLU 107   3.276 -16.187  -4.878
  734    HA   PRO 108           HA       PRO 108   4.859 -10.242  -7.720
  735    HB2  PRO 108           HB2      PRO 108   4.813 -10.588 -10.433
  736    HB3  PRO 108           HB3      PRO 108   6.219 -11.048  -9.428
  737    HG2  PRO 108           HG2      PRO 108   3.972 -12.833 -10.419
  738    HG3  PRO 108           HG3      PRO 108   5.737 -13.132 -10.494
  739    HD2  PRO 108           HD2      PRO 108   4.161 -14.169  -8.517
  740    HD3  PRO 108           HD3      PRO 108   5.842 -13.646  -8.195
  741    H    VAL 109           H        VAL 109   3.513  -8.632  -8.364
  742    HA   VAL 109           HA       VAL 109   0.992  -9.182  -9.806
  743    HB   VAL 109           HB       VAL 109  -0.347  -7.720  -8.404
  744   HG11  VAL 109          HG11      VAL 109   0.757  -9.975  -6.694
  745   HG12  VAL 109          HG12      VAL 109  -0.844  -9.213  -6.605
  746   HG13  VAL 109          HG13      VAL 109  -0.413 -10.172  -8.023
  747   HG21  VAL 109          HG21      VAL 109   1.354  -6.309  -7.348
  748   HG22  VAL 109          HG22      VAL 109   0.338  -7.069  -6.119
  749   HG23  VAL 109          HG23      VAL 109   1.970  -7.698  -6.420
  750    H    THR 110           H        THR 110  -0.020  -6.818 -10.364
  751    HA   THR 110           HA       THR 110   2.139  -4.891 -11.009
  752    HB   THR 110           HB       THR 110   0.454  -6.187 -13.183
  753    HG1  THR 110           HG1      THR 110   2.235  -7.316 -13.719
  754   HG21  THR 110          HG21      THR 110   2.936  -4.411 -13.337
  755   HG22  THR 110          HG22      THR 110   2.030  -5.076 -14.710
  756   HG23  THR 110          HG23      THR 110   1.279  -3.870 -13.657
  757    H    ALA 111           H        ALA 111   1.362  -2.818 -10.986
  758    HA   ALA 111           HA       ALA 111  -1.607  -2.453 -11.149
  759    HB1  ALA 111           HB1      ALA 111   0.525  -0.698  -9.935
  760    HB2  ALA 111           HB2      ALA 111  -1.207  -0.302 -10.037
  761    HB3  ALA 111           HB3      ALA 111  -0.682  -1.717  -9.104
  762    HA   PRO 112           HA       PRO 112  -0.233  -0.991 -15.207
  763    HB2  PRO 112           HB2      PRO 112  -2.597  -1.062 -16.585
  764    HB3  PRO 112           HB3      PRO 112  -1.684  -2.531 -16.130
  765    HG2  PRO 112           HG2      PRO 112  -4.013  -1.262 -14.652
  766    HG3  PRO 112           HG3      PRO 112  -3.804  -2.980 -15.131
  767    HD2  PRO 112           HD2      PRO 112  -3.178  -2.127 -12.637
  768    HD3  PRO 112           HD3      PRO 112  -2.164  -3.345 -13.470
  769    H    ARG 113           H        ARG 113  -2.436   0.748 -13.178
  770    HA   ARG 113           HA       ARG 113  -3.257   2.735 -15.013
  771    HB2  ARG 113           HB2      ARG 113  -3.063   3.002 -11.981
  772    HB3  ARG 113           HB3      ARG 113  -4.007   4.007 -13.085
  773    HG2  ARG 113           HG2      ARG 113  -5.138   1.746 -13.797
  774    HG3  ARG 113           HG3      ARG 113  -4.442   1.106 -12.306
  775    HD2  ARG 113           HD2      ARG 113  -6.673   1.768 -11.774
  776    HD3  ARG 113           HD3      ARG 113  -5.620   3.001 -11.060
  777    HE   ARG 113           HE       ARG 113  -6.313   3.799 -13.711
  778   HH11  ARG 113          HH11      ARG 113  -8.338   3.184 -10.825
  779   HH12  ARG 113          HH12      ARG 113  -9.336   4.522 -11.195
  780   HH21  ARG 113          HH21      ARG 113  -7.862   5.301 -14.179
  781   HH22  ARG 113          HH22      ARG 113  -9.135   5.631 -12.996
  782    H    LEU 114           H        LEU 114  -0.485   2.723 -12.812
  783    HA   LEU 114           HA       LEU 114   0.343   5.493 -13.301
  784    HB2  LEU 114           HB2      LEU 114   1.605   3.106 -11.885
  785    HB3  LEU 114           HB3      LEU 114   2.378   4.671 -12.006
  786    HG   LEU 114           HG       LEU 114   1.428   4.330  -9.818
  787   HD11  LEU 114          HD11      LEU 114  -0.060   6.523 -11.301
  788   HD12  LEU 114          HD12      LEU 114   0.205   6.423  -9.548
  789   HD13  LEU 114          HD13      LEU 114   1.587   6.610 -10.635
  790   HD21  LEU 114          HD21      LEU 114  -0.516   2.876 -10.453
  791   HD22  LEU 114          HD22      LEU 114  -0.884   4.158  -9.285
  792   HD23  LEU 114          HD23      LEU 114  -1.373   4.355 -10.970
  793    H    LYS 115           H        LYS 115   2.241   6.139 -14.316
  794    HA   LYS 115           HA       LYS 115   3.420   4.330 -16.361
  795    HB2  LYS 115           HB2      LYS 115   1.672   6.769 -16.886
  796    HB3  LYS 115           HB3      LYS 115   2.821   6.211 -18.099
  797    HG2  LYS 115           HG2      LYS 115   0.630   4.428 -16.998
  798    HG3  LYS 115           HG3      LYS 115   0.464   5.422 -18.426
  799    HD2  LYS 115           HD2      LYS 115   1.868   4.174 -19.722
  800    HD3  LYS 115           HD3      LYS 115   2.885   3.630 -18.392
  801    HE2  LYS 115           HE2      LYS 115   0.010   2.692 -18.668
  802    HE3  LYS 115           HE3      LYS 115   1.327   1.905 -19.547
  803    HZ1  LYS 115           HZ1      LYS 115   1.323   2.235 -16.601
  804    HZ2  LYS 115           HZ2      LYS 115   0.844   0.877 -17.385
  805    HZ3  LYS 115           HZ3      LYS 115   2.406   1.378 -17.498
  806    H    SER 116           H        SER 116   4.814   5.057 -14.333
  807    HA   SER 116           HA       SER 116   7.204   5.331 -14.950
  808    HB2  SER 116           HB2      SER 116   6.461   8.257 -15.135
  809    HB3  SER 116           HB3      SER 116   8.103   7.697 -14.794
  810    HG   SER 116           HG       SER 116   6.526   7.169 -17.047
  811    H    LEU 117           H        LEU 117   8.669   5.289 -13.232
  812    HA   LEU 117           HA       LEU 117   7.874   5.804 -10.549
  813    HB2  LEU 117           HB2      LEU 117  10.610   5.704 -11.893
  814    HB3  LEU 117           HB3      LEU 117  10.419   6.190 -10.227
  815    HG   LEU 117           HG       LEU 117  11.095   4.066 -10.035
  816   HD11  LEU 117          HD11      LEU 117   8.089   3.724  -9.779
  817   HD12  LEU 117          HD12      LEU 117   9.359   2.853  -8.902
  818   HD13  LEU 117          HD13      LEU 117   9.118   4.583  -8.605
  819   HD21  LEU 117          HD21      LEU 117  10.898   3.202 -12.265
  820   HD22  LEU 117          HD22      LEU 117  10.255   2.070 -11.073
  821   HD23  LEU 117          HD23      LEU 117   9.129   3.052 -12.062
  822    H    ASP 118           H        ASP 118   9.126   8.057 -12.983
  823    HA   ASP 118           HA       ASP 118   9.633  10.311 -11.460
  824    HB2  ASP 118           HB2      ASP 118   8.994   9.738 -14.282
  825    HB3  ASP 118           HB3      ASP 118   8.467  11.335 -13.783
  826    H    GLU 119           H        GLU 119   6.349   9.023 -11.957
  827    HA   GLU 119           HA       GLU 119   5.289  11.584 -10.847
  828    HB2  GLU 119           HB2      GLU 119   3.095  10.697 -11.127
  829    HB3  GLU 119           HB3      GLU 119   3.986  10.806 -12.636
  830    HG2  GLU 119           HG2      GLU 119   4.245   8.472 -12.834
  831    HG3  GLU 119           HG3      GLU 119   3.753   8.169 -11.162
  832    H    VAL 120           H        VAL 120   6.421   8.569  -9.605
  833    HA   VAL 120           HA       VAL 120   4.877   9.009  -7.068
  834    HB   VAL 120           HB       VAL 120   5.119   6.592  -6.602
  835   HG11  VAL 120          HG11      VAL 120   3.645   7.242  -9.171
  836   HG12  VAL 120          HG12      VAL 120   3.377   5.834  -8.140
  837   HG13  VAL 120          HG13      VAL 120   3.033   7.457  -7.521
  838   HG21  VAL 120          HG21      VAL 120   7.089   6.131  -8.092
  839   HG22  VAL 120          HG22      VAL 120   5.735   5.013  -8.333
  840   HG23  VAL 120          HG23      VAL 120   6.010   6.320  -9.496
  841    H    LYS 121           H        LYS 121   8.002   9.371  -8.197
  842    HA   LYS 121           HA       LYS 121   9.492   8.148  -6.176
  843    HB2  LYS 121           HB2      LYS 121  11.373   9.196  -7.031
  844    HB3  LYS 121           HB3      LYS 121  10.315   8.968  -8.400
  845    HG2  LYS 121           HG2      LYS 121  10.842  11.594  -6.918
  846    HG3  LYS 121           HG3      LYS 121  11.480  11.104  -8.488
  847    HD2  LYS 121           HD2      LYS 121   9.035  10.908  -9.245
  848    HD3  LYS 121           HD3      LYS 121   8.608  11.824  -7.801
  849    HE2  LYS 121           HE2      LYS 121  10.574  12.739  -9.958
  850    HE3  LYS 121           HE3      LYS 121   8.872  13.190  -9.901
  851    HZ1  LYS 121           HZ1      LYS 121  10.871  13.872  -7.816
  852    HZ2  LYS 121           HZ2      LYS 121  10.232  14.890  -8.917
  853    HZ3  LYS 121           HZ3      LYS 121   9.247  14.259  -7.773
  854    H    ASP 122           H        ASP 122   7.526  10.819  -5.527
  855    HA   ASP 122           HA       ASP 122   9.138  11.566  -3.117
  856    HB2  ASP 122           HB2      ASP 122   8.333  13.294  -4.820
  857    HB3  ASP 122           HB3      ASP 122   6.690  12.940  -4.292
  858    H    LYS 123           H        LYS 123   6.631   9.455  -3.938
  859    HA   LYS 123           HA       LYS 123   4.882  10.036  -1.626
  860    HB2  LYS 123           HB2      LYS 123   4.574   8.188  -4.031
  861    HB3  LYS 123           HB3      LYS 123   3.335   8.464  -2.797
  862    HG2  LYS 123           HG2      LYS 123   3.198  10.823  -3.351
  863    HG3  LYS 123           HG3      LYS 123   4.478  10.663  -4.569
  864    HD2  LYS 123           HD2      LYS 123   3.103   9.163  -5.911
  865    HD3  LYS 123           HD3      LYS 123   1.847   9.134  -4.666
  866    HE2  LYS 123           HE2      LYS 123   0.955  11.044  -5.328
  867    HE3  LYS 123           HE3      LYS 123   2.505  11.879  -5.291
  868    HZ1  LYS 123           HZ1      LYS 123   1.354  10.496  -7.666
  869    HZ2  LYS 123           HZ2      LYS 123   1.846  12.048  -7.489
  870    HZ3  LYS 123           HZ3      LYS 123   2.941  10.866  -7.555
  871    H    ALA 124           H        ALA 124   3.854   8.228  -0.456
  872    HA   ALA 124           HA       ALA 124   5.705   5.958   0.166
  873    HB1  ALA 124           HB1      ALA 124   3.343   7.099   1.721
  874    HB2  ALA 124           HB2      ALA 124   4.391   5.760   2.243
  875    HB3  ALA 124           HB3      ALA 124   5.066   7.386   2.067
  876    H    LEU 125           H        LEU 125   4.869   3.858   0.407
  877    HA   LEU 125           HA       LEU 125   2.163   3.223  -0.649
  878    HB2  LEU 125           HB2      LEU 125   3.027   1.244  -1.730
  879    HB3  LEU 125           HB3      LEU 125   3.322   2.782  -2.535
  880    HG   LEU 125           HG       LEU 125   5.726   2.658  -1.845
  881   HD11  LEU 125          HD11      LEU 125   4.875  -0.076  -0.785
  882   HD12  LEU 125          HD12      LEU 125   6.548   0.318  -1.197
  883   HD13  LEU 125          HD13      LEU 125   5.740   1.210   0.088
  884   HD21  LEU 125          HD21      LEU 125   4.861   1.864  -4.045
  885   HD22  LEU 125          HD22      LEU 125   6.248   0.903  -3.487
  886   HD23  LEU 125          HD23      LEU 125   4.605   0.247  -3.347
  887    H    MET 126           H        MET 126   1.289   1.257   0.139
  888    HA   MET 126           HA       MET 126   2.521   0.286   2.704
  889    HB2  MET 126           HB2      MET 126  -0.277   1.369   2.261
  890    HB3  MET 126           HB3      MET 126   0.196   0.421   3.683
  891    HG2  MET 126           HG2      MET 126   1.899   2.122   4.256
  892    HG3  MET 126           HG3      MET 126   1.429   3.075   2.859
  893    HE1  MET 126           HE1      MET 126   1.250   5.100   4.303
  894    HE2  MET 126           HE2      MET 126   0.167   5.318   5.697
  895    HE3  MET 126           HE3      MET 126   1.585   4.247   5.813
  896    H    ILE 127           H        ILE 127   2.168  -1.736   3.270
  897    HA   ILE 127           HA       ILE 127   0.503  -3.559   1.562
  898    HB   ILE 127           HB       ILE 127   2.769  -4.151   3.501
  899   HG12  ILE 127          HG12      ILE 127   2.402  -4.799   0.537
  900   HG13  ILE 127          HG13      ILE 127   3.363  -3.467   1.151
  901   HG21  ILE 127          HG21      ILE 127   1.015  -6.181   2.053
  902   HG22  ILE 127          HG22      ILE 127   2.375  -6.545   3.134
  903   HG23  ILE 127          HG23      ILE 127   0.920  -5.839   3.799
  904   HD11  ILE 127          HD11      ILE 127   3.948  -6.428   1.560
  905   HD12  ILE 127          HD12      ILE 127   4.844  -5.271   0.581
  906   HD13  ILE 127          HD13      ILE 127   4.845  -5.103   2.346
  907    H    HIS 128           H        HIS 128  -1.361  -4.022   2.291
  908    HA   HIS 128           HA       HIS 128  -2.151  -3.029   4.956
  909    HB2  HIS 128           HB2      HIS 128  -3.233  -2.911   2.144
  910    HB3  HIS 128           HB3      HIS 128  -4.356  -2.743   3.436
  911    HD1  HIS 128           HD1      HIS 128  -3.131  -0.936   5.452
  912    HD2  HIS 128           HD2      HIS 128  -2.858  -0.464   1.326
  913    HE1  HIS 128           HE1      HIS 128  -2.920   1.595   5.068
  914    H    VAL 129           H        VAL 129  -3.883  -3.961   6.094
  915    HA   VAL 129           HA       VAL 129  -3.043  -6.580   6.710
  916    HB   VAL 129           HB       VAL 129  -5.322  -4.870   7.732
  917   HG11  VAL 129          HG11      VAL 129  -4.490  -7.584   8.855
  918   HG12  VAL 129          HG12      VAL 129  -5.502  -6.394   9.702
  919   HG13  VAL 129          HG13      VAL 129  -6.095  -7.141   8.220
  920   HG21  VAL 129          HG21      VAL 129  -2.966  -4.199   8.224
  921   HG22  VAL 129          HG22      VAL 129  -3.828  -4.653   9.697
  922   HG23  VAL 129          HG23      VAL 129  -2.670  -5.779   8.961
  923    H    GLY 130           H        GLY 130  -5.891  -5.614   4.844
  924    HA2  GLY 130           HA2      GLY 130  -6.315  -8.491   4.116
  925    HA3  GLY 130           HA3      GLY 130  -7.693  -7.419   4.393
  926    H    GLY 131           H        GLY 131  -7.407  -8.667   2.006
  927    HA2  GLY 131           HA2      GLY 131  -6.361  -6.936  -0.077
  928    HA3  GLY 131           HA3      GLY 131  -7.453  -8.312  -0.263
  929    H    ASP 132           H        ASP 132  -7.795  -6.135  -1.769
  930    HA   ASP 132           HA       ASP 132  -8.997  -3.978  -0.193
  931    HB2  ASP 132           HB2      ASP 132  -6.688  -4.024  -1.229
  932    HB3  ASP 132           HB3      ASP 132  -7.450  -3.932  -2.808
  933    H    ASN 133           H        ASN 133 -10.629  -6.063  -1.986
  934    HA   ASN 133           HA       ASN 133 -11.874  -4.379  -3.993
  935    HB2  ASN 133           HB2      ASN 133 -13.337  -6.250  -4.410
  936    HB3  ASN 133           HB3      ASN 133 -11.683  -6.821  -4.252
  937   HD21  ASN 133          HD21      ASN 133 -13.720  -8.722  -4.048
  938   HD22  ASN 133          HD22      ASN 133 -13.861  -9.178  -2.368
  939    H    MET 134           H        MET 134 -12.307  -4.405  -0.654
  940    HA   MET 134           HA       MET 134 -15.187  -4.010  -0.525
  941    HB2  MET 134           HB2      MET 134 -12.958  -3.856   1.526
  942    HB3  MET 134           HB3      MET 134 -14.658  -3.568   1.918
  943    HG2  MET 134           HG2      MET 134 -15.259  -5.800   1.077
  944    HG3  MET 134           HG3      MET 134 -13.579  -6.133   0.673
  945    HE1  MET 134           HE1      MET 134 -11.715  -5.361   2.857
  946    HE2  MET 134           HE2      MET 134 -11.794  -6.749   3.959
  947    HE3  MET 134           HE3      MET 134 -11.821  -7.003   2.202
  948    H    SER 135           H        SER 135 -15.286  -2.227  -2.059
  949    HA   SER 135           HA       SER 135 -14.989   0.444  -0.758
  950    HB2  SER 135           HB2      SER 135 -14.656  -0.024  -3.292
  951    HB3  SER 135           HB3      SER 135 -16.428  -0.009  -3.363
  952    HG   SER 135           HG       SER 135 -15.284   2.059  -3.671
  953    H    ASP 136           H        ASP 136 -17.240   1.722  -1.371
  954    HA   ASP 136           HA       ASP 136 -19.250   2.350  -0.642
  955    HB2  ASP 136           HB2      ASP 136 -19.808  -0.478  -1.582
  956    HB3  ASP 136           HB3      ASP 136 -21.072   0.680  -1.185
  957    H    GLN 137           H        GLN 137 -18.027  -0.199   1.297
  958    HA   GLN 137           HA       GLN 137 -20.090  -0.337   3.264
  959    HB2  GLN 137           HB2      GLN 137 -17.078  -0.764   3.499
  960    HB3  GLN 137           HB3      GLN 137 -18.219  -1.119   4.793
  961    HG2  GLN 137           HG2      GLN 137 -19.342  -2.806   3.352
  962    HG3  GLN 137           HG3      GLN 137 -18.190  -2.457   2.059
  963   HE21  GLN 137          HE21      GLN 137 -17.545  -4.780   2.171
  964   HE22  GLN 137          HE22      GLN 137 -16.377  -5.215   3.423
  965    HA   PRO 138           HA       PRO 138 -19.528   3.535   5.491
  966    HB2  PRO 138           HB2      PRO 138 -20.546   2.918   7.958
  967    HB3  PRO 138           HB3      PRO 138 -21.568   3.101   6.501
  968    HG2  PRO 138           HG2      PRO 138 -20.488   0.532   7.701
  969    HG3  PRO 138           HG3      PRO 138 -22.169   0.897   7.194
  970    HD2  PRO 138           HD2      PRO 138 -20.449  -0.447   5.573
  971    HD3  PRO 138           HD3      PRO 138 -21.611   0.739   4.902
  972    H    LYS 139           H        LYS 139 -18.164   0.510   6.766
  973    HA   LYS 139           HA       LYS 139 -15.776   2.095   7.640
  974    HB2  LYS 139           HB2      LYS 139 -16.691  -0.695   8.427
  975    HB3  LYS 139           HB3      LYS 139 -15.034  -0.109   8.652
  976    HG2  LYS 139           HG2      LYS 139 -15.886   1.818   9.976
  977    HG3  LYS 139           HG3      LYS 139 -17.527   1.181   9.843
  978    HD2  LYS 139           HD2      LYS 139 -15.199  -0.315  11.138
  979    HD3  LYS 139           HD3      LYS 139 -16.354   0.703  12.015
  980    HE2  LYS 139           HE2      LYS 139 -18.227  -0.711  11.228
  981    HE3  LYS 139           HE3      LYS 139 -17.095  -1.776  10.389
  982    HZ1  LYS 139           HZ1      LYS 139 -16.988  -1.286  13.320
  983    HZ2  LYS 139           HZ2      LYS 139 -17.811  -2.520  12.626
  984    HZ3  LYS 139           HZ3      LYS 139 -16.178  -2.454  12.491
  985    HA   PRO 140           HA       PRO 140 -15.197   0.448   3.381
  986    HB2  PRO 140           HB2      PRO 140 -13.487   2.353   2.404
  987    HB3  PRO 140           HB3      PRO 140 -15.260   2.563   2.508
  988    HG2  PRO 140           HG2      PRO 140 -13.165   3.502   4.493
  989    HG3  PRO 140           HG3      PRO 140 -14.510   4.448   3.773
  990    HD2  PRO 140           HD2      PRO 140 -14.740   3.330   6.223
  991    HD3  PRO 140           HD3      PRO 140 -16.124   3.327   5.089
  992    H    LEU 141           H        LEU 141 -13.452  -0.546   2.311
  993    HA   LEU 141           HA       LEU 141 -11.791  -2.020   2.210
  994    HB2  LEU 141           HB2      LEU 141 -10.271  -0.554   4.394
  995    HB3  LEU 141           HB3      LEU 141  -9.676  -1.716   3.225
  996    HG   LEU 141           HG       LEU 141  -8.813   0.133   2.356
  997   HD11  LEU 141          HD11      LEU 141 -11.493   0.302   0.938
  998   HD12  LEU 141          HD12      LEU 141  -9.893   0.775   0.343
  999   HD13  LEU 141          HD13      LEU 141 -10.257  -0.936   0.623
 1000   HD21  LEU 141          HD21      LEU 141  -9.799   1.742   3.950
 1001   HD22  LEU 141          HD22      LEU 141  -9.693   2.371   2.297
 1002   HD23  LEU 141          HD23      LEU 141 -11.252   1.837   2.935
 1003    H    GLY 142           H        GLY 142 -13.902  -1.944   4.662
 1004    HA2  GLY 142           HA2      GLY 142 -14.610  -3.475   6.209
 1005    HA3  GLY 142           HA3      GLY 142 -13.507  -4.645   5.451
 1006    H    GLY 143           H        GLY 143 -11.992  -1.818   6.706
 1007    HA2  GLY 143           HA2      GLY 143 -10.618  -1.497   8.608
 1008    HA3  GLY 143           HA3      GLY 143 -11.103  -3.093   9.236
 1009    H    GLY 144           H        GLY 144 -10.381  -4.038   6.277
 1010    HA2  GLY 144           HA2      GLY 144  -7.710  -5.004   6.821
 1011    HA3  GLY 144           HA3      GLY 144  -8.621  -5.130   5.293
 1012    H    GLY 145           H        GLY 145  -8.922  -2.077   5.402
 1013    HA2  GLY 145           HA2      GLY 145  -6.544  -1.234   4.009
 1014    HA3  GLY 145           HA3      GLY 145  -7.854  -0.182   4.597
 1015    H    THR 146           H        THR 146  -6.762  -1.829   7.286
 1016    HA   THR 146           HA       THR 146  -4.884   0.260   8.176
 1017    HB   THR 146           HB       THR 146  -4.589  -1.194  10.166
 1018    HG1  THR 146           HG1      THR 146  -6.754  -2.728   9.221
 1019   HG21  THR 146          HG21      THR 146  -7.492  -0.552   9.497
 1020   HG22  THR 146          HG22      THR 146  -6.835  -0.883  11.113
 1021   HG23  THR 146          HG23      THR 146  -6.305   0.551  10.220
 1022    H    ARG 147           H        ARG 147  -2.667  -0.392   8.889
 1023    HA   ARG 147           HA       ARG 147  -1.374  -1.725   6.584
 1024    HB2  ARG 147           HB2      ARG 147   0.701  -0.580   7.639
 1025    HB3  ARG 147           HB3      ARG 147  -0.495   0.350   6.765
 1026    HG2  ARG 147           HG2      ARG 147   0.265   1.539   8.747
 1027    HG3  ARG 147           HG3      ARG 147  -1.461   1.234   8.808
 1028    HD2  ARG 147           HD2      ARG 147  -1.068  -0.656  10.379
 1029    HD3  ARG 147           HD3      ARG 147   0.661  -0.355  10.307
 1030    HE   ARG 147           HE       ARG 147   0.303   1.765  11.444
 1031   HH11  ARG 147          HH11      ARG 147  -2.520  -0.462  11.718
 1032   HH12  ARG 147          HH12      ARG 147  -3.329   0.708  12.742
 1033   HH21  ARG 147          HH21      ARG 147  -0.707   2.813  13.117
 1034   HH22  ARG 147          HH22      ARG 147  -2.372   2.365  13.549
 1035    H    TYR 148           H        TYR 148   0.217  -3.285   6.653
 1036    HA   TYR 148           HA       TYR 148   1.085  -4.220   9.375
 1037    HB2  TYR 148           HB2      TYR 148  -0.018  -6.023   7.924
 1038    HB3  TYR 148           HB3      TYR 148   1.371  -5.975   6.852
 1039    HD1  TYR 148           HD1      TYR 148   0.396  -6.446  10.437
 1040    HD2  TYR 148           HD2      TYR 148   3.323  -7.226   7.359
 1041    HE1  TYR 148           HE1      TYR 148   1.598  -7.984  11.973
 1042    HE2  TYR 148           HE2      TYR 148   4.535  -8.747   8.912
 1043    HH   TYR 148           HH       TYR 148   3.430  -9.391  12.241
 1044    H    ALA 149           H        ALA 149   2.096  -3.185   6.094
 1045    HA   ALA 149           HA       ALA 149   4.581  -2.163   7.318
 1046    HB1  ALA 149           HB1      ALA 149   4.576  -3.864   4.786
 1047    HB2  ALA 149           HB2      ALA 149   5.978  -3.076   5.517
 1048    HB3  ALA 149           HB3      ALA 149   5.166  -4.391   6.376
 1049    H    CYS 150           H        CYS 150   5.635  -0.516   6.153
 1050    HA   CYS 150           HA       CYS 150   4.156   0.903   4.023
 1051    HB2  CYS 150           HB2      CYS 150   3.349   1.770   6.174
 1052    HB3  CYS 150           HB3      CYS 150   5.009   2.070   6.687
 1053    H    GLY 151           H        GLY 151   5.495   2.251   2.793
 1054    HA2  GLY 151           HA2      GLY 151   8.449   2.065   3.131
 1055    HA3  GLY 151           HA3      GLY 151   7.722   1.298   1.727
 1056    H    VAL 152           H        VAL 152   9.237   3.974   2.669
 1057    HA   VAL 152           HA       VAL 152   7.843   5.971   1.032
 1058    HB   VAL 152           HB       VAL 152  10.548   6.137   2.420
 1059   HG11  VAL 152          HG11      VAL 152   8.768   8.283   1.189
 1060   HG12  VAL 152          HG12      VAL 152  10.188   8.608   2.217
 1061   HG13  VAL 152          HG13      VAL 152  10.386   7.801   0.660
 1062   HG21  VAL 152          HG21      VAL 152   8.867   5.767   4.113
 1063   HG22  VAL 152          HG22      VAL 152   9.277   7.484   4.134
 1064   HG23  VAL 152          HG23      VAL 152   7.768   6.940   3.363
 1065    H    ILE 153           H        ILE 153   8.200   6.377  -1.075
 1066    HA   ILE 153           HA       ILE 153  10.198   4.814  -2.578
 1067    HB   ILE 153           HB       ILE 153   8.194   6.857  -3.592
 1068   HG12  ILE 153          HG12      ILE 153   7.797   3.844  -3.533
 1069   HG13  ILE 153          HG13      ILE 153   7.082   4.898  -2.337
 1070   HG21  ILE 153          HG21      ILE 153   9.618   4.561  -5.015
 1071   HG22  ILE 153          HG22      ILE 153   8.499   5.717  -5.765
 1072   HG23  ILE 153          HG23      ILE 153  10.052   6.270  -5.167
 1073   HD11  ILE 153          HD11      ILE 153   6.453   4.909  -5.304
 1074   HD12  ILE 153          HD12      ILE 153   5.420   4.382  -3.963
 1075   HD13  ILE 153          HD13      ILE 153   5.845   6.093  -4.119
 1076    H    LYS 154           H        LYS 154  11.989   5.700  -3.691
 1077    HA   LYS 154           HA       LYS 154  12.938   8.303  -2.598
 1078    HB2  LYS 154           HB2      LYS 154  14.412   6.102  -4.079
 1079    HB3  LYS 154           HB3      LYS 154  15.138   7.496  -3.293
 1080    HG2  LYS 154           HG2      LYS 154  13.691   5.201  -1.870
 1081    HG3  LYS 154           HG3      LYS 154  15.422   5.414  -2.025
 1082    HD2  LYS 154           HD2      LYS 154  15.043   6.170   0.128
 1083    HD3  LYS 154           HD3      LYS 154  15.123   7.664  -0.805
 1084    HE2  LYS 154           HE2      LYS 154  12.557   7.563  -0.915
 1085    HE3  LYS 154           HE3      LYS 154  12.619   6.247   0.246
 1086    HZ1  LYS 154           HZ1      LYS 154  13.956   8.821   0.804
 1087    HZ2  LYS 154           HZ2      LYS 154  12.349   8.704   0.969
 1088    HZ3  LYS 154           HZ3      LYS 154  13.342   7.732   1.891
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1  11.370  -1.247 -14.898
    2    H2   ALA   1           H2       ALA   1  11.898  -0.752 -16.364
    3    H3   ALA   1           H3       ALA   1  10.880   0.204 -15.528
    4    HA   ALA   1           HA       ALA   1  13.657  -0.445 -14.816
    5    HB1  ALA   1           HB1      ALA   1  12.402   2.276 -15.390
    6    HB2  ALA   1           HB2      ALA   1  14.107   1.942 -15.049
    7    HB3  ALA   1           HB3      ALA   1  13.375   1.345 -16.552
    8    H    SER   2           H        SER   2  14.449   0.706 -12.808
    9    HA   SER   2           HA       SER   2  12.433  -0.561 -11.029
   10    HB2  SER   2           HB2      SER   2  15.406  -1.064 -11.143
   11    HB3  SER   2           HB3      SER   2  14.131  -2.104 -10.481
   12    HG   SER   2           HG       SER   2  14.913  -2.751 -12.626
   13    H    GLU   3           H        GLU   3  12.343  -0.330  -8.860
   14    HA   GLU   3           HA       GLU   3  14.616   0.656  -7.409
   15    HB2  GLU   3           HB2      GLU   3  13.615   2.831  -7.911
   16    HB3  GLU   3           HB3      GLU   3  12.069   2.304  -7.205
   17    HG2  GLU   3           HG2      GLU   3  13.306   3.739  -5.676
   18    HG3  GLU   3           HG3      GLU   3  13.167   2.115  -4.984
   19    H    LYS   4           H        LYS   4  14.735  -0.174  -5.437
   20    HA   LYS   4           HA       LYS   4  12.812  -2.291  -4.747
   21    HB2  LYS   4           HB2      LYS   4  15.099  -2.721  -5.676
   22    HB3  LYS   4           HB3      LYS   4  15.795  -1.730  -4.389
   23    HG2  LYS   4           HG2      LYS   4  14.638  -3.445  -2.811
   24    HG3  LYS   4           HG3      LYS   4  14.595  -4.482  -4.248
   25    HD2  LYS   4           HD2      LYS   4  17.025  -3.191  -2.924
   26    HD3  LYS   4           HD3      LYS   4  16.636  -4.914  -2.886
   27    HE2  LYS   4           HE2      LYS   4  17.186  -5.223  -5.177
   28    HE3  LYS   4           HE3      LYS   4  17.045  -3.502  -5.546
   29    HZ1  LYS   4           HZ1      LYS   4  19.215  -4.652  -3.889
   30    HZ2  LYS   4           HZ2      LYS   4  19.333  -4.153  -5.468
   31    HZ3  LYS   4           HZ3      LYS   4  19.041  -3.062  -4.312
   32    H    VAL   5           H        VAL   5  11.338  -1.086  -3.310
   33    HA   VAL   5           HA       VAL   5  12.720   0.542  -1.257
   34    HB   VAL   5           HB       VAL   5  10.377   0.940  -0.369
   35   HG11  VAL   5          HG11      VAL   5  11.080   1.691  -3.235
   36   HG12  VAL   5          HG12      VAL   5  10.013   2.569  -2.105
   37   HG13  VAL   5          HG13      VAL   5  11.763   2.467  -1.782
   38   HG21  VAL   5          HG21      VAL   5   9.005  -0.757  -1.414
   39   HG22  VAL   5          HG22      VAL   5   8.646   0.832  -2.164
   40   HG23  VAL   5          HG23      VAL   5   9.659  -0.341  -3.023
   41    H    GLY   6           H        GLY   6  13.337   0.041   0.653
   42    HA2  GLY   6           HA2      GLY   6  12.865  -2.479   2.004
   43    HA3  GLY   6           HA3      GLY   6  13.612  -1.017   2.692
   44    H    MET   7           H        MET   7  10.770  -2.939   2.436
   45    HA   MET   7           HA       MET   7   8.987  -0.892   3.537
   46    HB2  MET   7           HB2      MET   7   8.594  -3.748   2.631
   47    HB3  MET   7           HB3      MET   7   7.372  -2.911   3.623
   48    HG2  MET   7           HG2      MET   7   7.521  -1.018   1.948
   49    HG3  MET   7           HG3      MET   7   8.400  -2.120   0.881
   50    HE1  MET   7           HE1      MET   7   6.381  -1.395  -0.890
   51    HE2  MET   7           HE2      MET   7   4.667  -1.485  -0.406
   52    HE3  MET   7           HE3      MET   7   5.775  -0.402   0.455
   53    H    ASN   8           H        ASN   8   8.438  -0.574   5.538
   54    HA   ASN   8           HA       ASN   8   9.703  -2.177   7.700
   55    HB2  ASN   8           HB2      ASN   8  10.316   0.302   7.096
   56    HB3  ASN   8           HB3      ASN   8   8.795   0.708   7.914
   57   HD21  ASN   8          HD21      ASN   8  12.118  -0.122   8.278
   58   HD22  ASN   8          HD22      ASN   8  12.128  -0.371  10.016
   59    H    LEU   9           H        LEU   9   8.513  -2.682   9.549
   60    HA   LEU   9           HA       LEU   9   5.707  -3.153   8.980
   61    HB2  LEU   9           HB2      LEU   9   7.429  -3.951  11.358
   62    HB3  LEU   9           HB3      LEU   9   5.840  -4.608  10.975
   63    HG   LEU   9           HG       LEU   9   8.344  -4.940   9.252
   64   HD11  LEU   9          HD11      LEU   9   6.886  -6.938  11.023
   65   HD12  LEU   9          HD12      LEU   9   8.305  -7.265  10.002
   66   HD13  LEU   9          HD13      LEU   9   8.446  -6.167  11.385
   67   HD21  LEU   9          HD21      LEU   9   6.380  -4.988   7.817
   68   HD22  LEU   9          HD22      LEU   9   6.983  -6.636   8.025
   69   HD23  LEU   9          HD23      LEU   9   5.550  -6.100   8.929
   70    H    VAL  10           H        VAL  10   5.609  -0.593   9.093
   71    HA   VAL  10           HA       VAL  10   5.353   0.660  11.627
   72    HB   VAL  10           HB       VAL  10   4.525   2.562  10.598
   73   HG11  VAL  10          HG11      VAL  10   5.932   1.279   8.239
   74   HG12  VAL  10          HG12      VAL  10   5.943   2.977   8.755
   75   HG13  VAL  10          HG13      VAL  10   6.790   1.754   9.713
   76   HG21  VAL  10          HG21      VAL  10   2.480   1.823   9.572
   77   HG22  VAL  10          HG22      VAL  10   3.439   2.630   8.336
   78   HG23  VAL  10          HG23      VAL  10   3.368   0.849   8.367
   79    H    THR  11           H        THR  11   3.747   1.550  12.728
   80    HA   THR  11           HA       THR  11   0.977   0.897  12.397
   81    HB   THR  11           HB       THR  11   1.758  -1.285  13.207
   82    HG1  THR  11           HG1      THR  11   0.038  -1.505  14.418
   83   HG21  THR  11          HG21      THR  11   2.381   0.119  15.840
   84   HG22  THR  11          HG22      THR  11   2.385  -1.626  15.528
   85   HG23  THR  11          HG23      THR  11   3.579  -0.592  14.734
   86    H    ALA  12           H        ALA  12   0.487   1.243  15.222
   87    HA   ALA  12           HA       ALA  12   0.104   4.114  15.092
   88    HB1  ALA  12           HB1      ALA  12  -0.474   2.093  17.308
   89    HB2  ALA  12           HB2      ALA  12  -1.092   3.749  17.246
   90    HB3  ALA  12           HB3      ALA  12  -1.595   2.587  16.005
   91    H    GLN  13           H        GLN  13   2.931   2.842  15.641
   92    HA   GLN  13           HA       GLN  13   3.756   4.658  17.881
   93    HB2  GLN  13           HB2      GLN  13   5.280   2.304  16.749
   94    HB3  GLN  13           HB3      GLN  13   5.620   3.166  18.251
   95    HG2  GLN  13           HG2      GLN  13   3.263   1.266  17.737
   96    HG3  GLN  13           HG3      GLN  13   4.788   0.850  18.548
   97   HE21  GLN  13          HE21      GLN  13   2.116   3.265  18.739
   98   HE22  GLN  13          HE22      GLN  13   2.753   3.795  20.242
   99    H    GLY  14           H        GLY  14   3.675   4.300  14.500
  100    HA2  GLY  14           HA2      GLY  14   4.867   5.468  12.823
  101    HA3  GLY  14           HA3      GLY  14   6.158   5.853  14.001
  102    H    VAL  15           H        VAL  15   7.845   4.968  13.023
  103    HA   VAL  15           HA       VAL  15   7.683   2.459  11.516
  104    HB   VAL  15           HB       VAL  15   9.936   4.474  11.788
  105   HG11  VAL  15          HG11      VAL  15   9.413   2.371   9.651
  106   HG12  VAL  15          HG12      VAL  15  10.736   3.543   9.632
  107   HG13  VAL  15          HG13      VAL  15  10.706   2.298  10.880
  108   HG21  VAL  15          HG21      VAL  15   7.964   5.622  10.863
  109   HG22  VAL  15          HG22      VAL  15   9.176   5.398   9.613
  110   HG23  VAL  15          HG23      VAL  15   7.761   4.330   9.660
  111    H    GLY  16           H        GLY  16   8.846   0.593  11.944
  112    HA2  GLY  16           HA2      GLY  16   9.926   0.373  14.753
  113    HA3  GLY  16           HA3      GLY  16   8.882  -0.816  13.943
  114    H    GLN  17           H        GLN  17   9.892  -1.697  11.795
  115    HA   GLN  17           HA       GLN  17  12.707  -2.176  11.709
  116    HB2  GLN  17           HB2      GLN  17  12.661  -4.562  12.394
  117    HB3  GLN  17           HB3      GLN  17  12.480  -3.446  13.733
  118    HG2  GLN  17           HG2      GLN  17  10.315  -4.086  14.206
  119    HG3  GLN  17           HG3      GLN  17   9.919  -4.449  12.511
  120   HE21  GLN  17          HE21      GLN  17  11.004  -6.434  11.549
  121   HE22  GLN  17          HE22      GLN  17  11.198  -7.792  12.672
  122    H    SER  18           H        SER  18  13.277  -3.707   9.937
  123    HA   SER  18           HA       SER  18  10.977  -4.249   8.101
  124    HB2  SER  18           HB2      SER  18  11.975  -2.217   7.343
  125    HB3  SER  18           HB3      SER  18  13.614  -2.868   7.545
  126    HG   SER  18           HG       SER  18  11.622  -3.537   5.607
  127    H    ILE  19           H        ILE  19  10.844  -6.258   7.476
  128    HA   ILE  19           HA       ILE  19  13.264  -8.032   7.420
  129    HB   ILE  19           HB       ILE  19  10.369  -8.756   7.962
  130   HG12  ILE  19          HG12      ILE  19  11.312  -7.514   9.866
  131   HG13  ILE  19          HG13      ILE  19  11.100  -9.213  10.297
  132   HG21  ILE  19          HG21      ILE  19  12.844 -10.499   7.835
  133   HG22  ILE  19          HG22      ILE  19  11.466 -10.952   8.861
  134   HG23  ILE  19          HG23      ILE  19  11.230 -10.766   7.142
  135   HD11  ILE  19          HD11      ILE  19  13.756  -7.924   9.476
  136   HD12  ILE  19          HD12      ILE  19  13.258  -8.331  11.128
  137   HD13  ILE  19          HD13      ILE  19  13.533  -9.616   9.934
  138    H    GLY  20           H        GLY  20  12.254  -6.200   5.362
  139    HA2  GLY  20           HA2      GLY  20  13.453  -7.509   3.500
  140    HA3  GLY  20           HA3      GLY  20  11.826  -8.038   3.077
  141    H    THR  21           H        THR  21  12.842  -6.811   1.026
  142    HA   THR  21           HA       THR  21  11.814  -4.003   1.027
  143    HB   THR  21           HB       THR  21  13.016  -3.551  -0.923
  144    HG1  THR  21           HG1      THR  21  13.607  -6.316  -1.086
  145   HG21  THR  21          HG21      THR  21  14.951  -5.323   0.617
  146   HG22  THR  21          HG22      THR  21  15.331  -3.957  -0.444
  147   HG23  THR  21          HG23      THR  21  14.506  -3.670   1.094
  148    H    VAL  22           H        VAL  22  10.704  -3.468  -1.197
  149    HA   VAL  22           HA       VAL  22   9.760  -5.964  -2.503
  150    HB   VAL  22           HB       VAL  22   7.997  -3.468  -2.363
  151   HG11  VAL  22          HG11      VAL  22   7.805  -6.175  -3.721
  152   HG12  VAL  22          HG12      VAL  22   6.405  -5.218  -3.466
  153   HG13  VAL  22          HG13      VAL  22   7.714  -4.583  -4.489
  154   HG21  VAL  22          HG21      VAL  22   7.877  -4.677  -0.207
  155   HG22  VAL  22          HG22      VAL  22   6.382  -4.884  -1.125
  156   HG23  VAL  22          HG23      VAL  22   7.568  -6.202  -1.065
  157    H    VAL  23           H        VAL  23  10.296  -5.985  -4.653
  158    HA   VAL  23           HA       VAL  23  11.677  -3.553  -5.641
  159    HB   VAL  23           HB       VAL  23  12.865  -5.607  -5.863
  160   HG11  VAL  23          HG11      VAL  23  10.804  -6.559  -7.809
  161   HG12  VAL  23          HG12      VAL  23  12.454  -7.202  -7.667
  162   HG13  VAL  23          HG13      VAL  23  11.389  -7.295  -6.273
  163   HG21  VAL  23          HG21      VAL  23  13.284  -3.637  -7.338
  164   HG22  VAL  23          HG22      VAL  23  13.706  -5.168  -8.118
  165   HG23  VAL  23          HG23      VAL  23  12.196  -4.343  -8.554
  166    H    ILE  24           H        ILE  24  10.793  -2.086  -6.824
  167    HA   ILE  24           HA       ILE  24   8.225  -2.644  -8.237
  168    HB   ILE  24           HB       ILE  24   9.498   0.003  -7.490
  169   HG12  ILE  24          HG12      ILE  24   6.977  -0.840  -6.121
  170   HG13  ILE  24          HG13      ILE  24   8.312  -1.648  -5.545
  171   HG21  ILE  24          HG21      ILE  24   6.787  -0.704  -8.727
  172   HG22  ILE  24          HG22      ILE  24   7.189   0.904  -8.071
  173   HG23  ILE  24          HG23      ILE  24   8.088   0.278  -9.442
  174   HD11  ILE  24          HD11      ILE  24   7.799   0.325  -4.319
  175   HD12  ILE  24          HD12      ILE  24   9.389   0.577  -5.114
  176   HD13  ILE  24          HD13      ILE  24   7.918   1.361  -5.762
  177    H    ASP  25           H        ASP  25   8.154  -2.409 -10.386
  178    HA   ASP  25           HA       ASP  25  10.457  -1.381 -11.919
  179    HB2  ASP  25           HB2      ASP  25  11.117  -3.536 -11.542
  180    HB3  ASP  25           HB3      ASP  25   9.496  -4.230 -11.804
  181    H    GLU  26           H        GLU  26   9.492   0.099 -13.070
  182    HA   GLU  26           HA       GLU  26   6.668  -0.075 -13.814
  183    HB2  GLU  26           HB2      GLU  26   6.895   2.097 -14.865
  184    HB3  GLU  26           HB3      GLU  26   7.518   2.059 -13.208
  185    HG2  GLU  26           HG2      GLU  26   8.988   3.444 -14.374
  186    HG3  GLU  26           HG3      GLU  26   9.849   1.955 -14.130
  187    H    THR  27           H        THR  27   5.692  -0.260 -15.867
  188    HA   THR  27           HA       THR  27   7.348  -0.578 -18.266
  189    HB   THR  27           HB       THR  27   7.640  -2.782 -17.337
  190    HG1  THR  27           HG1      THR  27   7.091  -3.857 -19.141
  191   HG21  THR  27          HG21      THR  27   4.607  -2.975 -17.236
  192   HG22  THR  27          HG22      THR  27   5.706  -4.372 -17.150
  193   HG23  THR  27          HG23      THR  27   5.760  -3.136 -15.896
  194    H    GLU  28           H        GLU  28   5.693  -1.504 -20.025
  195    HA   GLU  28           HA       GLU  28   3.779   0.625 -20.469
  196    HB2  GLU  28           HB2      GLU  28   5.220  -0.423 -22.154
  197    HB3  GLU  28           HB3      GLU  28   4.329  -1.952 -21.999
  198    HG2  GLU  28           HG2      GLU  28   2.370  -0.983 -23.012
  199    HG3  GLU  28           HG3      GLU  28   2.997   0.664 -22.812
  200    H    GLY  29           H        GLY  29   3.536  -2.260 -18.738
  201    HA2  GLY  29           HA2      GLY  29   0.561  -2.029 -18.602
  202    HA3  GLY  29           HA3      GLY  29   1.467  -3.500 -18.121
  203    H    GLY  30           H        GLY  30   2.814  -0.476 -17.302
  204    HA2  GLY  30           HA2      GLY  30   2.800   0.902 -15.474
  205    HA3  GLY  30           HA3      GLY  30   1.523  -0.061 -14.742
  206    H    LEU  31           H        LEU  31   2.322   0.073 -12.727
  207    HA   LEU  31           HA       LEU  31   5.117  -0.524 -12.119
  208    HB2  LEU  31           HB2      LEU  31   2.703  -0.077 -10.311
  209    HB3  LEU  31           HB3      LEU  31   4.389  -0.189  -9.764
  210    HG   LEU  31           HG       LEU  31   3.207   1.981 -11.557
  211   HD11  LEU  31          HD11      LEU  31   2.509   2.111  -9.197
  212   HD12  LEU  31          HD12      LEU  31   4.211   2.067  -8.679
  213   HD13  LEU  31          HD13      LEU  31   3.596   3.445  -9.621
  214   HD21  LEU  31          HD21      LEU  31   5.510   1.678 -12.213
  215   HD22  LEU  31          HD22      LEU  31   5.420   3.120 -11.199
  216   HD23  LEU  31          HD23      LEU  31   6.049   1.609 -10.516
  217    H    LYS  32           H        LYS  32   5.662  -2.590 -12.652
  218    HA   LYS  32           HA       LYS  32   4.340  -4.937 -11.525
  219    HB2  LYS  32           HB2      LYS  32   5.912  -4.713 -13.616
  220    HB3  LYS  32           HB3      LYS  32   7.211  -4.712 -12.427
  221    HG2  LYS  32           HG2      LYS  32   5.937  -6.954 -11.594
  222    HG3  LYS  32           HG3      LYS  32   5.326  -6.895 -13.257
  223    HD2  LYS  32           HD2      LYS  32   7.300  -8.222 -13.369
  224    HD3  LYS  32           HD3      LYS  32   7.765  -6.632 -14.005
  225    HE2  LYS  32           HE2      LYS  32   8.483  -6.092 -11.549
  226    HE3  LYS  32           HE3      LYS  32   8.334  -7.839 -11.253
  227    HZ1  LYS  32           HZ1      LYS  32  10.139  -6.433 -13.166
  228    HZ2  LYS  32           HZ2      LYS  32  10.591  -7.323 -11.856
  229    HZ3  LYS  32           HZ3      LYS  32   9.965  -8.072 -13.164
  230    H    PHE  33           H        PHE  33   4.818  -5.909  -9.558
  231    HA   PHE  33           HA       PHE  33   6.717  -4.670  -7.679
  232    HB2  PHE  33           HB2      PHE  33   4.207  -4.009  -7.850
  233    HB3  PHE  33           HB3      PHE  33   3.849  -5.658  -7.322
  234    HD1  PHE  33           HD1      PHE  33   5.945  -2.760  -6.487
  235    HD2  PHE  33           HD2      PHE  33   3.448  -5.896  -5.062
  236    HE1  PHE  33           HE1      PHE  33   6.052  -1.749  -4.147
  237    HE2  PHE  33           HE2      PHE  33   3.443  -4.880  -2.758
  238    HZ   PHE  33           HZ       PHE  33   4.761  -2.827  -2.312
  239    H    THR  34           H        THR  34   8.138  -6.261  -6.904
  240    HA   THR  34           HA       THR  34   7.073  -9.066  -6.664
  241    HB   THR  34           HB       THR  34   9.985  -8.522  -7.113
  242    HG1  THR  34           HG1      THR  34   9.700  -8.759  -9.234
  243   HG21  THR  34          HG21      THR  34   8.186 -10.929  -7.583
  244   HG22  THR  34          HG22      THR  34   9.928 -10.851  -7.908
  245   HG23  THR  34          HG23      THR  34   9.334 -10.726  -6.245
  246    HA   PRO  35           HA       PRO  35   8.268  -7.883  -2.430
  247    HB2  PRO  35           HB2      PRO  35   6.691  -9.594  -1.040
  248    HB3  PRO  35           HB3      PRO  35   5.989  -8.203  -1.934
  249    HG2  PRO  35           HG2      PRO  35   6.229 -11.088  -2.832
  250    HG3  PRO  35           HG3      PRO  35   4.774 -10.043  -2.885
  251    HD2  PRO  35           HD2      PRO  35   6.431 -10.428  -5.039
  252    HD3  PRO  35           HD3      PRO  35   5.580  -8.873  -4.755
  253    H    HIS  36           H        HIS  36   9.277  -8.958  -0.622
  254    HA   HIS  36           HA       HIS  36  10.076 -11.739  -0.862
  255    HB2  HIS  36           HB2      HIS  36  12.283 -11.683  -1.439
  256    HB3  HIS  36           HB3      HIS  36  11.609 -10.463  -2.516
  257    HD1  HIS  36           HD1      HIS  36  14.524 -10.903  -0.512
  258    HD2  HIS  36           HD2      HIS  36  11.824  -7.807  -1.231
  259    HE1  HIS  36           HE1      HIS  36  15.721  -8.768   0.280
  260    H    LEU  37           H        LEU  37   8.689 -10.378   1.160
  261    HA   LEU  37           HA       LEU  37  10.646  -9.895   3.339
  262    HB2  LEU  37           HB2      LEU  37   7.644  -9.444   3.437
  263    HB3  LEU  37           HB3      LEU  37   8.886  -8.961   4.613
  264    HG   LEU  37           HG       LEU  37   9.807  -7.707   2.338
  265   HD11  LEU  37          HD11      LEU  37   6.760  -7.565   2.236
  266   HD12  LEU  37          HD12      LEU  37   7.884  -6.556   1.314
  267   HD13  LEU  37          HD13      LEU  37   7.815  -8.300   1.007
  268   HD21  LEU  37          HD21      LEU  37   9.542  -6.772   4.634
  269   HD22  LEU  37          HD22      LEU  37   9.026  -5.671   3.368
  270   HD23  LEU  37          HD23      LEU  37   7.805  -6.545   4.321
  271    H    LYS  38           H        LYS  38  10.879 -11.168   5.120
  272    HA   LYS  38           HA       LYS  38   9.532 -13.780   4.967
  273    HB2  LYS  38           HB2      LYS  38  12.030 -12.872   6.490
  274    HB3  LYS  38           HB3      LYS  38  11.397 -14.498   6.553
  275    HG2  LYS  38           HG2      LYS  38  12.591 -15.094   4.857
  276    HG3  LYS  38           HG3      LYS  38  11.665 -14.029   3.790
  277    HD2  LYS  38           HD2      LYS  38  14.128 -13.140   5.398
  278    HD3  LYS  38           HD3      LYS  38  14.176 -13.749   3.741
  279    HE2  LYS  38           HE2      LYS  38  12.237 -11.991   3.358
  280    HE3  LYS  38           HE3      LYS  38  12.912 -11.199   4.793
  281    HZ1  LYS  38           HZ1      LYS  38  14.504 -11.955   2.428
  282    HZ2  LYS  38           HZ2      LYS  38  13.745 -10.515   2.539
  283    HZ3  LYS  38           HZ3      LYS  38  14.940 -10.869   3.633
  284    H    ALA  39           H        ALA  39   8.254 -11.424   6.345
  285    HA   ALA  39           HA       ALA  39   7.196 -12.984   8.594
  286    HB1  ALA  39           HB1      ALA  39   8.745 -10.412   9.149
  287    HB2  ALA  39           HB2      ALA  39   7.774 -11.312  10.331
  288    HB3  ALA  39           HB3      ALA  39   9.221 -12.058   9.633
  289    H    LEU  40           H        LEU  40   5.283 -12.815   7.353
  290    HA   LEU  40           HA       LEU  40   3.707 -10.530   8.253
  291    HB2  LEU  40           HB2      LEU  40   2.909 -11.260   5.485
  292    HB3  LEU  40           HB3      LEU  40   2.916  -9.753   6.331
  293    HG   LEU  40           HG       LEU  40   5.529  -9.742   5.839
  294   HD11  LEU  40          HD11      LEU  40   4.531 -11.913   3.940
  295   HD12  LEU  40          HD12      LEU  40   6.035 -11.011   3.704
  296   HD13  LEU  40          HD13      LEU  40   5.851 -12.051   5.109
  297   HD21  LEU  40          HD21      LEU  40   3.939  -8.240   4.805
  298   HD22  LEU  40          HD22      LEU  40   5.144  -8.806   3.631
  299   HD23  LEU  40          HD23      LEU  40   3.501  -9.493   3.606
  300    HA   PRO  41           HA       PRO  41   0.660 -13.674   8.686
  301    HB2  PRO  41           HB2      PRO  41  -1.747 -12.409   8.029
  302    HB3  PRO  41           HB3      PRO  41  -0.897 -12.265   9.592
  303    HG2  PRO  41           HG2      PRO  41  -0.729 -10.440   7.224
  304    HG3  PRO  41           HG3      PRO  41  -0.991 -10.003   8.945
  305    HD2  PRO  41           HD2      PRO  41   1.476  -9.837   7.935
  306    HD3  PRO  41           HD3      PRO  41   1.181 -10.648   9.514
  307    HA   PRO  42           HA       PRO  42   1.045 -15.090   4.511
  308    HB2  PRO  42           HB2      PRO  42   0.924 -17.717   4.873
  309    HB3  PRO  42           HB3      PRO  42   1.995 -16.740   5.894
  310    HG2  PRO  42           HG2      PRO  42  -0.874 -17.512   6.581
  311    HG3  PRO  42           HG3      PRO  42   0.595 -17.948   7.496
  312    HD2  PRO  42           HD2      PRO  42  -0.802 -15.651   8.054
  313    HD3  PRO  42           HD3      PRO  42   0.993 -15.711   8.151
  314    H    GLY  43           H        GLY  43  -1.303 -13.845   4.694
  315    HA2  GLY  43           HA2      GLY  43  -3.468 -15.606   3.636
  316    HA3  GLY  43           HA3      GLY  43  -3.703 -14.006   4.373
  317    H    GLU  44           H        GLU  44  -4.556 -12.869   2.906
  318    HA   GLU  44           HA       GLU  44  -3.034 -12.120   0.514
  319    HB2  GLU  44           HB2      GLU  44  -4.928 -12.446  -0.979
  320    HB3  GLU  44           HB3      GLU  44  -4.488 -13.965  -0.204
  321    HG2  GLU  44           HG2      GLU  44  -6.408 -13.197   1.540
  322    HG3  GLU  44           HG3      GLU  44  -6.899 -12.261   0.112
  323    H    HIS  45           H        HIS  45  -2.957 -10.021   0.261
  324    HA   HIS  45           HA       HIS  45  -4.561  -8.312   2.136
  325    HB2  HIS  45           HB2      HIS  45  -1.611  -8.544   1.393
  326    HB3  HIS  45           HB3      HIS  45  -2.219  -7.130   2.232
  327    HD1  HIS  45           HD1      HIS  45  -3.922  -8.210   4.546
  328    HD2  HIS  45           HD2      HIS  45  -0.768 -10.381   2.867
  329    HE1  HIS  45           HE1      HIS  45  -3.360 -10.051   6.237
  330    HE2  HIS  45           HE2      HIS  45  -1.340 -11.368   5.221
  331    H    GLY  46           H        GLY  46  -4.944  -6.103   1.640
  332    HA2  GLY  46           HA2      GLY  46  -4.964  -5.302  -1.092
  333    HA3  GLY  46           HA3      GLY  46  -5.223  -4.244   0.317
  334    H    PHE  47           H        PHE  47  -3.670  -3.574  -2.119
  335    HA   PHE  47           HA       PHE  47  -1.096  -2.791  -0.786
  336    HB2  PHE  47           HB2      PHE  47  -0.637  -4.520  -2.307
  337    HB3  PHE  47           HB3      PHE  47  -1.681  -3.823  -3.552
  338    HD1  PHE  47           HD1      PHE  47   0.790  -1.549  -1.879
  339    HD2  PHE  47           HD2      PHE  47   0.178  -4.435  -5.014
  340    HE1  PHE  47           HE1      PHE  47   2.735  -0.599  -3.166
  341    HE2  PHE  47           HE2      PHE  47   2.021  -3.357  -6.343
  342    HZ   PHE  47           HZ       PHE  47   3.205  -1.418  -5.449
  343    H    HIS  48           H        HIS  48  -1.297  -0.445  -0.523
  344    HA   HIS  48           HA       HIS  48  -2.399   0.987  -2.961
  345    HB2  HIS  48           HB2      HIS  48  -2.369   2.343  -0.270
  346    HB3  HIS  48           HB3      HIS  48  -3.181   2.843  -1.727
  347    HD2  HIS  48           HD2      HIS  48  -5.011   0.236  -2.278
  348    HE1  HIS  48           HE1      HIS  48  -6.343   0.692   1.725
  349    HE2  HIS  48           HE2      HIS  48  -6.835  -0.345  -0.567
  350    H    ILE  49           H        ILE  49  -1.567   2.977  -3.480
  351    HA   ILE  49           HA       ILE  49   1.120   3.874  -2.506
  352    HB   ILE  49           HB       ILE  49  -0.400   4.210  -5.108
  353   HG12  ILE  49          HG12      ILE  49   2.520   3.555  -4.493
  354   HG13  ILE  49          HG13      ILE  49   1.259   2.320  -4.685
  355   HG21  ILE  49          HG21      ILE  49   1.964   5.961  -4.298
  356   HG22  ILE  49          HG22      ILE  49   1.123   5.954  -5.868
  357   HG23  ILE  49          HG23      ILE  49   0.264   6.500  -4.454
  358   HD11  ILE  49          HD11      ILE  49   2.253   4.223  -6.829
  359   HD12  ILE  49          HD12      ILE  49   2.481   2.471  -6.731
  360   HD13  ILE  49          HD13      ILE  49   0.858   3.131  -7.010
  361    H    HIS  50           H        HIS  50   1.272   6.113  -1.972
  362    HA   HIS  50           HA       HIS  50  -1.275   7.298  -1.007
  363    HB2  HIS  50           HB2      HIS  50   0.965   6.122   0.596
  364    HB3  HIS  50           HB3      HIS  50   0.318   7.632   1.164
  365    HD1  HIS  50           HD1      HIS  50  -1.829   7.487   2.580
  366    HD2  HIS  50           HD2      HIS  50  -1.033   4.073   0.318
  367    HE1  HIS  50           HE1      HIS  50  -3.546   5.728   3.361
  368    H    ALA  51           H        ALA  51  -1.246   9.514  -0.665
  369    HA   ALA  51           HA       ALA  51   0.116  10.804  -2.714
  370    HB1  ALA  51           HB1      ALA  51  -1.421  12.020  -0.389
  371    HB2  ALA  51           HB2      ALA  51  -1.082  12.811  -1.936
  372    HB3  ALA  51           HB3      ALA  51  -2.128  11.377  -1.884
  373    H    ASN  52           H        ASN  52   1.247  10.680   0.614
  374    HA   ASN  52           HA       ASN  52   3.676  12.176  -0.317
  375    HB2  ASN  52           HB2      ASN  52   2.301  12.438   2.368
  376    HB3  ASN  52           HB3      ASN  52   3.871  13.152   1.972
  377   HD21  ASN  52          HD21      ASN  52   0.550  13.703   2.050
  378   HD22  ASN  52          HD22      ASN  52   0.475  15.068   0.960
  379    H    GLY  53           H        GLY  53   5.469  11.834   1.559
  380    HA2  GLY  53           HA2      GLY  53   6.017   8.897   1.396
  381    HA3  GLY  53           HA3      GLY  53   7.161  10.202   1.065
  382    H    SER  54           H        SER  54   5.115  10.266   3.989
  383    HA   SER  54           HA       SER  54   7.445   9.345   5.648
  384    HB2  SER  54           HB2      SER  54   6.036  11.981   5.605
  385    HB3  SER  54           HB3      SER  54   6.555  11.342   7.158
  386    HG   SER  54           HG       SER  54   8.087  12.665   6.316
  387    H    CYS  55           H        CYS  55   6.572   7.451   6.417
  388    HA   CYS  55           HA       CYS  55   3.903   6.951   6.860
  389    HB2  CYS  55           HB2      CYS  55   6.197   5.418   8.097
  390    HB3  CYS  55           HB3      CYS  55   4.647   4.810   7.548
  391    H    GLN  56           H        GLN  56   5.101   9.148   8.836
  392    HA   GLN  56           HA       GLN  56   4.741   7.841  11.431
  393    HB2  GLN  56           HB2      GLN  56   5.391  10.732  10.745
  394    HB3  GLN  56           HB3      GLN  56   5.260  10.084  12.374
  395    HG2  GLN  56           HG2      GLN  56   7.568  10.077  11.941
  396    HG3  GLN  56           HG3      GLN  56   7.075   8.396  11.790
  397   HE21  GLN  56          HE21      GLN  56   9.218   8.230  10.572
  398   HE22  GLN  56          HE22      GLN  56   9.173   8.711   8.867
  399    HA   PRO  57           HA       PRO  57   0.409   9.071  11.763
  400    HB2  PRO  57           HB2      PRO  57  -0.107   8.250  14.322
  401    HB3  PRO  57           HB3      PRO  57   0.064   7.107  12.968
  402    HG2  PRO  57           HG2      PRO  57   2.144   7.901  15.017
  403    HG3  PRO  57           HG3      PRO  57   1.733   6.258  14.431
  404    HD2  PRO  57           HD2      PRO  57   3.853   7.675  13.456
  405    HD3  PRO  57           HD3      PRO  57   2.883   6.590  12.407
  406    H    ALA  58           H        ALA  58  -0.750  10.783  12.581
  407    HA   ALA  58           HA       ALA  58   0.402  12.511  14.694
  408    HB1  ALA  58           HB1      ALA  58  -2.214  12.679  13.123
  409    HB2  ALA  58           HB2      ALA  58  -1.644  13.868  14.309
  410    HB3  ALA  58           HB3      ALA  58  -0.738  13.615  12.808
  411    H    ILE  59           H        ILE  59  -0.656  12.753  16.714
  412    HA   ILE  59           HA       ILE  59  -2.569  10.605  17.580
  413    HB   ILE  59           HB       ILE  59  -0.539  12.040  19.341
  414   HG12  ILE  59          HG12      ILE  59   0.839  10.708  17.882
  415   HG13  ILE  59          HG13      ILE  59   0.806  10.024  19.493
  416   HG21  ILE  59          HG21      ILE  59  -2.330   9.625  19.834
  417   HG22  ILE  59          HG22      ILE  59  -1.088  10.220  20.954
  418   HG23  ILE  59          HG23      ILE  59  -2.472  11.238  20.563
  419   HD11  ILE  59          HD11      ILE  59  -0.705   8.953  17.077
  420   HD12  ILE  59          HD12      ILE  59   0.739   8.258  17.820
  421   HD13  ILE  59          HD13      ILE  59  -0.787   8.264  18.717
  422    H    LYS  60           H        LYS  60  -4.468  11.449  18.501
  423    HA   LYS  60           HA       LYS  60  -4.378  14.209  19.564
  424    HB2  LYS  60           HB2      LYS  60  -5.910  15.223  18.164
  425    HB3  LYS  60           HB3      LYS  60  -4.865  14.342  17.083
  426    HG2  LYS  60           HG2      LYS  60  -6.768  13.643  16.098
  427    HG3  LYS  60           HG3      LYS  60  -6.887  12.491  17.427
  428    HD2  LYS  60           HD2      LYS  60  -8.217  14.300  18.686
  429    HD3  LYS  60           HD3      LYS  60  -8.234  15.242  17.206
  430    HE2  LYS  60           HE2      LYS  60  -9.241  12.366  17.296
  431    HE3  LYS  60           HE3      LYS  60 -10.262  13.700  17.818
  432    HZ1  LYS  60           HZ1      LYS  60  -9.062  13.627  15.101
  433    HZ2  LYS  60           HZ2      LYS  60 -10.562  13.062  15.448
  434    HZ3  LYS  60           HZ3      LYS  60 -10.228  14.629  15.660
  435    H    ASP  61           H        ASP  61  -5.807  11.113  19.846
  436    HA   ASP  61           HA       ASP  61  -7.675  12.035  21.939
  437    HB2  ASP  61           HB2      ASP  61  -8.447  12.022  19.238
  438    HB3  ASP  61           HB3      ASP  61  -9.163  10.573  19.829
  439    H    GLY  62           H        GLY  62  -5.671  10.403  22.612
  440    HA2  GLY  62           HA2      GLY  62  -5.109   8.317  23.474
  441    HA3  GLY  62           HA3      GLY  62  -6.855   7.962  23.488
  442    H    GLN  63           H        GLN  63  -5.309   8.704  20.480
  443    HA   GLN  63           HA       GLN  63  -4.989   5.997  19.508
  444    HB2  GLN  63           HB2      GLN  63  -6.894   5.937  18.045
  445    HB3  GLN  63           HB3      GLN  63  -7.478   6.237  19.675
  446    HG2  GLN  63           HG2      GLN  63  -7.471   8.770  18.994
  447    HG3  GLN  63           HG3      GLN  63  -7.308   8.180  17.343
  448   HE21  GLN  63          HE21      GLN  63  -9.469   8.314  20.187
  449   HE22  GLN  63          HE22      GLN  63 -10.895   7.797  19.292
  450    H    ALA  64           H        ALA  64  -4.376   5.932  17.279
  451    HA   ALA  64           HA       ALA  64  -2.857   8.363  16.491
  452    HB1  ALA  64           HB1      ALA  64  -2.343   5.396  15.974
  453    HB2  ALA  64           HB2      ALA  64  -1.258   6.731  15.546
  454    HB3  ALA  64           HB3      ALA  64  -1.564   6.360  17.249
  455    H    VAL  65           H        VAL  65  -3.024   9.167  14.464
  456    HA   VAL  65           HA       VAL  65  -5.150   8.151  12.720
  457    HB   VAL  65           HB       VAL  65  -3.450  10.604  12.186
  458   HG11  VAL  65          HG11      VAL  65  -6.343   9.874  11.452
  459   HG12  VAL  65          HG12      VAL  65  -5.540  11.410  11.067
  460   HG13  VAL  65          HG13      VAL  65  -4.991   9.922  10.309
  461   HG21  VAL  65          HG21      VAL  65  -4.356  10.888  14.463
  462   HG22  VAL  65          HG22      VAL  65  -5.235  11.916  13.343
  463   HG23  VAL  65          HG23      VAL  65  -5.968  10.400  13.906
  464    H    ALA  66           H        ALA  66  -3.152   6.326  12.865
  465    HA   ALA  66           HA       ALA  66  -1.849   4.868  11.733
  466    HB1  ALA  66           HB1      ALA  66  -3.354   5.985   9.333
  467    HB2  ALA  66           HB2      ALA  66  -2.517   4.422   9.421
  468    HB3  ALA  66           HB3      ALA  66  -3.936   4.733  10.450
  469    H    ALA  67           H        ALA  67  -1.716   7.600   9.446
  470    HA   ALA  67           HA       ALA  67   1.093   8.092   9.744
  471    HB1  ALA  67           HB1      ALA  67   0.190   6.656   7.215
  472    HB2  ALA  67           HB2      ALA  67   1.748   7.479   7.432
  473    HB3  ALA  67           HB3      ALA  67   1.359   6.062   8.421
  474    H    GLU  68           H        GLU  68   0.880  10.301   9.725
  475    HA   GLU  68           HA       GLU  68  -1.395  11.584   8.370
  476    HB2  GLU  68           HB2      GLU  68  -0.606  12.281  10.637
  477    HB3  GLU  68           HB3      GLU  68   0.932  12.781   9.929
  478    HG2  GLU  68           HG2      GLU  68  -0.442  14.374   8.428
  479    HG3  GLU  68           HG3      GLU  68  -1.841  13.956   9.423
  480    H    ALA  69           H        ALA  69   2.199  11.854   8.182
  481    HA   ALA  69           HA       ALA  69   2.058  13.395   5.721
  482    HB1  ALA  69           HB1      ALA  69   4.404  12.290   7.301
  483    HB2  ALA  69           HB2      ALA  69   4.491  13.482   5.970
  484    HB3  ALA  69           HB3      ALA  69   3.673  13.896   7.480
  485    H    ALA  70           H        ALA  70   1.096  10.511   5.854
  486    HA   ALA  70           HA       ALA  70   2.300   9.583   3.289
  487    HB1  ALA  70           HB1      ALA  70   0.143   8.347   5.058
  488    HB2  ALA  70           HB2      ALA  70   0.834   7.632   3.581
  489    HB3  ALA  70           HB3      ALA  70   1.858   7.869   5.006
  490    H    GLY  71           H        GLY  71  -0.238  11.654   4.503
  491    HA2  GLY  71           HA2      GLY  71  -1.425  13.143   3.164
  492    HA3  GLY  71           HA3      GLY  71  -0.971  12.234   1.727
  493    H    GLY  72           H        GLY  72  -2.022  10.045   1.534
  494    HA2  GLY  72           HA2      GLY  72  -4.466   9.148   2.436
  495    HA3  GLY  72           HA3      GLY  72  -4.916  10.506   1.419
  496    H    HIS  73           H        HIS  73  -5.970   8.345   0.505
  497    HA   HIS  73           HA       HIS  73  -4.468   6.397  -0.884
  498    HB2  HIS  73           HB2      HIS  73  -7.328   7.353  -0.969
  499    HB3  HIS  73           HB3      HIS  73  -6.764   6.224  -2.185
  500    HD2  HIS  73           HD2      HIS  73  -6.013   6.032   1.626
  501    HE1  HIS  73           HE1      HIS  73  -8.088   2.480   0.546
  502    HE2  HIS  73           HE2      HIS  73  -6.894   3.739   2.432
  503    H    LEU  74           H        LEU  74  -4.853   9.599  -1.977
  504    HA   LEU  74           HA       LEU  74  -3.783  10.655  -3.661
  505    HB2  LEU  74           HB2      LEU  74  -2.129   8.817  -3.336
  506    HB3  LEU  74           HB3      LEU  74  -2.810   7.942  -4.684
  507    HG   LEU  74           HG       LEU  74  -1.717  10.788  -4.917
  508   HD11  LEU  74          HD11      LEU  74  -0.277   8.200  -5.623
  509   HD12  LEU  74          HD12      LEU  74   0.354   9.835  -5.749
  510   HD13  LEU  74          HD13      LEU  74   0.059   9.123  -4.144
  511   HD21  LEU  74          HD21      LEU  74  -3.137  10.055  -6.830
  512   HD22  LEU  74          HD22      LEU  74  -1.435  10.141  -7.308
  513   HD23  LEU  74          HD23      LEU  74  -2.152   8.558  -6.942
  514    H    ASP  75           H        ASP  75  -5.389  11.626  -4.540
  515    HA   ASP  75           HA       ASP  75  -7.198  10.486  -6.561
  516    HB2  ASP  75           HB2      ASP  75  -9.046  10.679  -4.721
  517    HB3  ASP  75           HB3      ASP  75  -7.977   9.317  -4.785
  518    HA   PRO  76           HA       PRO  76  -7.224  15.204  -6.291
  519    HB2  PRO  76           HB2      PRO  76  -6.319  15.854  -8.807
  520    HB3  PRO  76           HB3      PRO  76  -5.264  15.595  -7.387
  521    HG2  PRO  76           HG2      PRO  76  -5.937  13.633  -9.587
  522    HG3  PRO  76           HG3      PRO  76  -4.337  13.998  -8.878
  523    HD2  PRO  76           HD2      PRO  76  -5.811  11.836  -8.086
  524    HD3  PRO  76           HD3      PRO  76  -4.801  12.761  -6.935
  525    H    GLN  77           H        GLN  77  -8.085  13.311  -9.309
  526    HA   GLN  77           HA       GLN  77 -10.856  14.421  -9.120
  527    HB2  GLN  77           HB2      GLN  77  -9.037  14.434 -11.561
  528    HB3  GLN  77           HB3      GLN  77 -10.788  14.582 -11.663
  529    HG2  GLN  77           HG2      GLN  77  -9.012  16.547 -10.155
  530    HG3  GLN  77           HG3      GLN  77  -9.575  16.750 -11.808
  531   HE21  GLN  77          HE21      GLN  77 -10.589  16.865  -8.405
  532   HE22  GLN  77          HE22      GLN  77 -12.167  17.584  -8.784
  533    H    ASN  78           H        ASN  78 -11.178  12.331  -8.110
  534    HA   ASN  78           HA       ASN  78 -12.023  10.379 -10.208
  535    HB2  ASN  78           HB2      ASN  78 -10.550   9.738  -7.638
  536    HB3  ASN  78           HB3      ASN  78 -11.806   8.646  -8.230
  537   HD21  ASN  78          HD21      ASN  78  -9.813  10.291 -10.652
  538   HD22  ASN  78          HD22      ASN  78  -8.921   8.844 -11.074
  539    H    THR  79           H        THR  79 -12.519  10.529  -6.679
  540    HA   THR  79           HA       THR  79 -15.087  11.706  -6.558
  541    HB   THR  79           HB       THR  79 -16.194  10.054  -7.730
  542    HG1  THR  79           HG1      THR  79 -17.315  10.159  -5.860
  543   HG21  THR  79          HG21      THR  79 -14.492   7.937  -6.347
  544   HG22  THR  79          HG22      THR  79 -15.921   7.613  -7.351
  545   HG23  THR  79          HG23      THR  79 -14.501   8.346  -8.080
  546    H    GLY  80           H        GLY  80 -12.988   9.167  -5.157
  547    HA2  GLY  80           HA2      GLY  80 -11.883   9.516  -3.081
  548    HA3  GLY  80           HA3      GLY  80 -13.194  10.568  -2.527
  549    H    LYS  81           H        LYS  81 -14.947   8.133  -3.762
  550    HA   LYS  81           HA       LYS  81 -15.527   7.036  -1.182
  551    HB2  LYS  81           HB2      LYS  81 -17.170   5.652  -2.406
  552    HB3  LYS  81           HB3      LYS  81 -17.269   7.372  -2.788
  553    HG2  LYS  81           HG2      LYS  81 -16.249   7.052  -4.939
  554    HG3  LYS  81           HG3      LYS  81 -15.749   5.416  -4.553
  555    HD2  LYS  81           HD2      LYS  81 -17.685   5.480  -6.110
  556    HD3  LYS  81           HD3      LYS  81 -17.983   4.593  -4.626
  557    HE2  LYS  81           HE2      LYS  81 -19.962   5.853  -5.057
  558    HE3  LYS  81           HE3      LYS  81 -19.164   6.592  -3.674
  559    HZ1  LYS  81           HZ1      LYS  81 -19.430   7.622  -6.405
  560    HZ2  LYS  81           HZ2      LYS  81 -19.729   8.376  -4.992
  561    HZ3  LYS  81           HZ3      LYS  81 -18.175   8.165  -5.467
  562    H    HIS  82           H        HIS  82 -13.119   5.969  -3.325
  563    HA   HIS  82           HA       HIS  82 -11.736   4.149  -3.426
  564    HB2  HIS  82           HB2      HIS  82 -11.944   4.008  -0.878
  565    HB3  HIS  82           HB3      HIS  82 -13.224   2.836  -1.128
  566    HD2  HIS  82           HD2      HIS  82 -12.598   0.404  -1.384
  567    HE1  HIS  82           HE1      HIS  82  -8.450   0.676  -2.208
  568    HE2  HIS  82           HE2      HIS  82 -10.400  -0.896  -1.724
  569    H    GLU  83           H        GLU  83 -11.900   1.653  -4.056
  570    HA   GLU  83           HA       GLU  83 -14.485   0.826  -5.050
  571    HB2  GLU  83           HB2      GLU  83 -14.217   1.206  -7.369
  572    HB3  GLU  83           HB3      GLU  83 -13.963   2.708  -6.557
  573    HG2  GLU  83           HG2      GLU  83 -12.133   2.958  -7.801
  574    HG3  GLU  83           HG3      GLU  83 -11.349   1.881  -6.665
  575    H    GLY  84           H        GLY  84 -13.173  -0.553  -7.347
  576    HA2  GLY  84           HA2      GLY  84 -11.234  -2.373  -6.751
  577    HA3  GLY  84           HA3      GLY  84 -12.683  -3.085  -6.050
  578    HA   PRO  85           HA       PRO  85 -13.786  -4.003 -10.349
  579    HB2  PRO  85           HB2      PRO  85 -16.453  -4.087 -10.399
  580    HB3  PRO  85           HB3      PRO  85 -15.582  -4.853  -9.037
  581    HG2  PRO  85           HG2      PRO  85 -16.861  -2.092  -9.110
  582    HG3  PRO  85           HG3      PRO  85 -17.069  -3.372  -7.874
  583    HD2  PRO  85           HD2      PRO  85 -15.214  -1.291  -7.711
  584    HD3  PRO  85           HD3      PRO  85 -15.043  -2.862  -6.879
  585    H    GLU  86           H        GLU  86 -14.028  -0.603 -10.010
  586    HA   GLU  86           HA       GLU  86 -15.399  -0.261 -12.645
  587    HB2  GLU  86           HB2      GLU  86 -17.030   1.263 -11.711
  588    HB3  GLU  86           HB3      GLU  86 -17.186  -0.337 -11.001
  589    HG2  GLU  86           HG2      GLU  86 -16.143   0.392  -8.927
  590    HG3  GLU  86           HG3      GLU  86 -15.733   1.957  -9.619
  591    H    GLY  87           H        GLY  87 -12.854   0.837 -10.684
  592    HA2  GLY  87           HA2      GLY  87 -11.255   2.425 -11.221
  593    HA3  GLY  87           HA3      GLY  87 -12.296   3.091 -12.494
  594    H    GLN  88           H        GLN  88 -14.513   3.234 -10.410
  595    HA   GLN  88           HA       GLN  88 -14.222   6.051  -9.947
  596    HB2  GLN  88           HB2      GLN  88 -16.446   4.191  -9.030
  597    HB3  GLN  88           HB3      GLN  88 -16.535   5.934  -9.193
  598    HG2  GLN  88           HG2      GLN  88 -16.280   3.923 -11.464
  599    HG3  GLN  88           HG3      GLN  88 -17.709   4.833 -11.014
  600   HE21  GLN  88          HE21      GLN  88 -15.345   4.813 -13.344
  601   HE22  GLN  88          HE22      GLN  88 -15.390   6.546 -13.690
  602    H    GLY  89           H        GLY  89 -12.215   5.570  -8.394
  603    HA2  GLY  89           HA2      GLY  89 -13.257   5.878  -5.594
  604    HA3  GLY  89           HA3      GLY  89 -12.109   4.599  -5.952
  605    H    HIS  90           H        HIS  90 -10.018   5.036  -6.352
  606    HA   HIS  90           HA       HIS  90  -8.917   7.769  -6.252
  607    HB2  HIS  90           HB2      HIS  90  -7.649   5.561  -4.616
  608    HB3  HIS  90           HB3      HIS  90  -7.366   7.265  -4.501
  609    HD2  HIS  90           HD2      HIS  90  -9.814   8.650  -3.558
  610    HE1  HIS  90           HE1      HIS  90 -10.474   5.613  -0.684
  611    HE2  HIS  90           HE2      HIS  90 -11.050   7.986  -1.385
  612    H    LEU  91           H        LEU  91  -6.621   7.723  -7.188
  613    HA   LEU  91           HA       LEU  91  -6.444   5.484  -9.126
  614    HB2  LEU  91           HB2      LEU  91  -5.164   6.776 -10.511
  615    HB3  LEU  91           HB3      LEU  91  -6.356   7.871  -9.851
  616    HG   LEU  91           HG       LEU  91  -4.378   8.424  -8.114
  617   HD11  LEU  91          HD11      LEU  91  -2.910   7.444 -10.619
  618   HD12  LEU  91          HD12      LEU  91  -2.175   8.434  -9.351
  619   HD13  LEU  91          HD13      LEU  91  -2.729   6.802  -8.974
  620   HD21  LEU  91          HD21      LEU  91  -5.483  10.038  -9.617
  621   HD22  LEU  91          HD22      LEU  91  -3.733  10.298  -9.581
  622   HD23  LEU  91          HD23      LEU  91  -4.477   9.479 -10.973
  623    H    GLY  92           H        GLY  92  -4.922   6.441  -6.176
  624    HA2  GLY  92           HA2      GLY  92  -2.581   4.742  -6.528
  625    HA3  GLY  92           HA3      GLY  92  -3.069   5.641  -5.071
  626    H    ASP  93           H        ASP  93  -5.429   3.374  -6.400
  627    HA   ASP  93           HA       ASP  93  -4.783   1.467  -4.194
  628    HB2  ASP  93           HB2      ASP  93  -7.302   1.712  -5.868
  629    HB3  ASP  93           HB3      ASP  93  -7.033   0.572  -4.549
  630    H    LEU  94           H        LEU  94  -4.208  -0.680  -4.622
  631    HA   LEU  94           HA       LEU  94  -3.590  -1.406  -7.447
  632    HB2  LEU  94           HB2      LEU  94  -1.695  -1.626  -5.049
  633    HB3  LEU  94           HB3      LEU  94  -1.382  -2.232  -6.636
  634    HG   LEU  94           HG       LEU  94  -1.838   0.313  -7.339
  635   HD11  LEU  94          HD11      LEU  94  -0.698   0.586  -4.557
  636   HD12  LEU  94          HD12      LEU  94  -0.920   1.888  -5.760
  637   HD13  LEU  94          HD13      LEU  94  -2.319   1.080  -5.067
  638   HD21  LEU  94          HD21      LEU  94   0.466   0.627  -7.596
  639   HD22  LEU  94          HD22      LEU  94   0.862  -0.127  -6.053
  640   HD23  LEU  94          HD23      LEU  94   0.431  -1.138  -7.422
  641    HA   PRO  95           HA       PRO  95  -5.495  -5.182  -6.565
  642    HB2  PRO  95           HB2      PRO  95  -4.247  -7.077  -8.087
  643    HB3  PRO  95           HB3      PRO  95  -5.149  -5.701  -8.794
  644    HG2  PRO  95           HG2      PRO  95  -2.163  -5.935  -8.333
  645    HG3  PRO  95           HG3      PRO  95  -3.022  -5.399  -9.813
  646    HD2  PRO  95           HD2      PRO  95  -1.999  -3.680  -7.945
  647    HD3  PRO  95           HD3      PRO  95  -3.473  -3.281  -8.887
  648    H    VAL  96           H        VAL  96  -5.342  -7.421  -5.701
  649    HA   VAL  96           HA       VAL  96  -4.081  -6.915  -3.232
  650    HB   VAL  96           HB       VAL  96  -5.094  -8.968  -2.342
  651   HG11  VAL  96          HG11      VAL  96  -6.981  -7.240  -3.999
  652   HG12  VAL  96          HG12      VAL  96  -7.396  -8.182  -2.555
  653   HG13  VAL  96          HG13      VAL  96  -6.296  -6.800  -2.421
  654   HG21  VAL  96          HG21      VAL  96  -5.044 -10.467  -4.273
  655   HG22  VAL  96          HG22      VAL  96  -6.691 -10.248  -3.671
  656   HG23  VAL  96          HG23      VAL  96  -6.174  -9.399  -5.146
  657    H    LEU  97           H        LEU  97  -2.461  -7.506  -2.244
  658    HA   LEU  97           HA       LEU  97  -0.233  -8.969  -3.405
  659    HB2  LEU  97           HB2      LEU  97  -0.513  -6.687  -1.922
  660    HB3  LEU  97           HB3      LEU  97  -0.258  -7.799  -0.614
  661    HG   LEU  97           HG       LEU  97   1.604  -7.230  -2.971
  662   HD11  LEU  97          HD11      LEU  97   1.907  -6.772   0.035
  663   HD12  LEU  97          HD12      LEU  97   3.185  -6.501  -1.156
  664   HD13  LEU  97          HD13      LEU  97   1.701  -5.508  -1.202
  665   HD21  LEU  97          HD21      LEU  97   1.792  -9.571  -2.426
  666   HD22  LEU  97          HD22      LEU  97   3.195  -8.706  -1.771
  667   HD23  LEU  97          HD23      LEU  97   1.863  -9.183  -0.675
  668    H    VAL  98           H        VAL  98  -1.150 -11.068  -3.482
  669    HA   VAL  98           HA       VAL  98  -2.151 -12.582  -1.230
  670    HB   VAL  98           HB       VAL  98  -0.830 -13.572  -3.792
  671   HG11  VAL  98          HG11      VAL  98  -2.565 -15.025  -1.733
  672   HG12  VAL  98          HG12      VAL  98  -2.152 -15.671  -3.335
  673   HG13  VAL  98          HG13      VAL  98  -0.878 -15.398  -2.154
  674   HG21  VAL  98          HG21      VAL  98  -2.820 -12.218  -4.292
  675   HG22  VAL  98          HG22      VAL  98  -3.174 -13.922  -4.563
  676   HG23  VAL  98          HG23      VAL  98  -3.768 -13.124  -3.093
  677    H    VAL  99           H        VAL  99  -0.925 -14.148   0.121
  678    HA   VAL  99           HA       VAL  99   2.058 -13.839   0.114
  679    HB   VAL  99           HB       VAL  99   0.279 -13.969   2.585
  680   HG11  VAL  99          HG11      VAL  99   3.195 -13.202   2.281
  681   HG12  VAL  99          HG12      VAL  99   2.252 -13.141   3.783
  682   HG13  VAL  99          HG13      VAL  99   2.602 -14.709   3.008
  683   HG21  VAL  99          HG21      VAL  99  -0.157 -11.843   1.530
  684   HG22  VAL  99          HG22      VAL  99   0.837 -11.644   2.991
  685   HG23  VAL  99          HG23      VAL  99   1.589 -11.513   1.379
  686    H    ASN 100           H        ASN 100   3.127 -15.727   0.196
  687    HA   ASN 100           HA       ASN 100   1.836 -18.246   0.233
  688    HB2  ASN 100           HB2      ASN 100   3.754 -18.542  -0.836
  689    HB3  ASN 100           HB3      ASN 100   4.541 -17.182  -0.058
  690   HD21  ASN 100          HD21      ASN 100   5.741 -17.499   1.831
  691   HD22  ASN 100          HD22      ASN 100   6.281 -19.131   2.307
  692    H    ASN 101           H        ASN 101   1.519 -19.778   1.627
  693    HA   ASN 101           HA       ASN 101   0.539 -19.509   4.011
  694    HB2  ASN 101           HB2      ASN 101   0.332 -21.772   4.127
  695    HB3  ASN 101           HB3      ASN 101   0.686 -21.551   2.411
  696   HD21  ASN 101          HD21      ASN 101   3.331 -21.510   2.035
  697   HD22  ASN 101          HD22      ASN 101   4.210 -22.537   3.129
  698    H    ASP 102           H        ASP 102   4.005 -19.669   3.716
  699    HA   ASP 102           HA       ASP 102   4.612 -20.806   6.306
  700    HB2  ASP 102           HB2      ASP 102   5.856 -20.690   3.882
  701    HB3  ASP 102           HB3      ASP 102   6.680 -19.360   4.673
  702    H    GLY 103           H        GLY 103   3.964 -17.613   5.238
  703    HA2  GLY 103           HA2      GLY 103   3.820 -15.689   6.685
  704    HA3  GLY 103           HA3      GLY 103   5.156 -16.317   7.678
  705    H    ILE 104           H        ILE 104   5.570 -16.614   4.287
  706    HA   ILE 104           HA       ILE 104   7.385 -14.235   4.154
  707    HB   ILE 104           HB       ILE 104   7.719 -17.002   2.910
  708   HG12  ILE 104          HG12      ILE 104   9.798 -15.824   4.752
  709   HG13  ILE 104          HG13      ILE 104   8.391 -16.579   5.467
  710   HG21  ILE 104          HG21      ILE 104   9.509 -14.547   2.641
  711   HG22  ILE 104          HG22      ILE 104   9.913 -16.174   2.060
  712   HG23  ILE 104          HG23      ILE 104   8.556 -15.310   1.352
  713   HD11  ILE 104          HD11      ILE 104  10.337 -17.895   3.530
  714   HD12  ILE 104          HD12      ILE 104  10.225 -18.171   5.277
  715   HD13  ILE 104          HD13      ILE 104   8.897 -18.677   4.217
  716    H    ALA 105           H        ALA 105   6.900 -12.856   2.516
  717    HA   ALA 105           HA       ALA 105   4.895 -13.645   0.441
  718    HB1  ALA 105           HB1      ALA 105   6.069 -10.912   1.164
  719    HB2  ALA 105           HB2      ALA 105   4.822 -11.228  -0.064
  720    HB3  ALA 105           HB3      ALA 105   4.462 -11.504   1.640
  721    H    THR 106           H        THR 106   5.458 -13.961  -1.574
  722    HA   THR 106           HA       THR 106   8.012 -13.006  -2.776
  723    HB   THR 106           HB       THR 106   8.437 -15.068  -1.506
  724    HG1  THR 106           HG1      THR 106   9.639 -15.937  -2.994
  725   HG21  THR 106          HG21      THR 106   6.563 -16.378  -3.514
  726   HG22  THR 106          HG22      THR 106   7.676 -17.246  -2.439
  727   HG23  THR 106          HG23      THR 106   6.357 -16.295  -1.751
  728    H    GLU 107           H        GLU 107   4.768 -13.515  -3.045
  729    HA   GLU 107           HA       GLU 107   4.387 -14.325  -5.721
  730    HB2  GLU 107           HB2      GLU 107   2.628 -12.988  -3.635
  731    HB3  GLU 107           HB3      GLU 107   2.032 -13.587  -5.173
  732    HG2  GLU 107           HG2      GLU 107   1.541 -15.163  -3.394
  733    HG3  GLU 107           HG3      GLU 107   2.607 -15.871  -4.602
  734    HA   PRO 108           HA       PRO 108   4.981 -10.113  -7.441
  735    HB2  PRO 108           HB2      PRO 108   4.922 -10.690 -10.094
  736    HB3  PRO 108           HB3      PRO 108   6.304 -11.106  -9.037
  737    HG2  PRO 108           HG2      PRO 108   4.009 -12.901  -9.890
  738    HG3  PRO 108           HG3      PRO 108   5.768 -13.253  -9.944
  739    HD2  PRO 108           HD2      PRO 108   4.178 -14.086  -7.886
  740    HD3  PRO 108           HD3      PRO 108   5.869 -13.570  -7.608
  741    H    VAL 109           H        VAL 109   3.707  -8.510  -8.292
  742    HA   VAL 109           HA       VAL 109   1.147  -9.082  -9.654
  743    HB   VAL 109           HB       VAL 109  -0.155  -7.486  -8.352
  744   HG11  VAL 109          HG11      VAL 109   0.942  -9.614  -6.473
  745   HG12  VAL 109          HG12      VAL 109  -0.617  -8.780  -6.363
  746   HG13  VAL 109          HG13      VAL 109  -0.306  -9.873  -7.716
  747   HG21  VAL 109          HG21      VAL 109   1.559  -6.016  -7.433
  748   HG22  VAL 109          HG22      VAL 109   0.578  -6.679  -6.126
  749   HG23  VAL 109          HG23      VAL 109   2.197  -7.341  -6.424
  750    H    THR 110           H        THR 110   0.226  -6.987 -10.647
  751    HA   THR 110           HA       THR 110   2.251  -4.828 -11.068
  752    HB   THR 110           HB       THR 110   0.642  -6.137 -13.303
  753    HG1  THR 110           HG1      THR 110   2.302  -7.302 -13.766
  754   HG21  THR 110          HG21      THR 110   2.961  -4.147 -13.452
  755   HG22  THR 110          HG22      THR 110   2.101  -4.858 -14.821
  756   HG23  THR 110          HG23      THR 110   1.260  -3.750 -13.743
  757    H    ALA 111           H        ALA 111   1.329  -2.814 -11.038
  758    HA   ALA 111           HA       ALA 111  -1.659  -2.651 -11.193
  759    HB1  ALA 111           HB1      ALA 111   0.318  -0.830  -9.819
  760    HB2  ALA 111           HB2      ALA 111  -1.442  -0.588  -9.887
  761    HB3  ALA 111           HB3      ALA 111  -0.779  -2.015  -9.065
  762    HA   PRO 112           HA       PRO 112  -0.579  -0.387 -15.019
  763    HB2  PRO 112           HB2      PRO 112  -2.950  -0.616 -16.334
  764    HB3  PRO 112           HB3      PRO 112  -1.825  -1.990 -16.141
  765    HG2  PRO 112           HG2      PRO 112  -4.242  -1.323 -14.431
  766    HG3  PRO 112           HG3      PRO 112  -3.833  -2.891 -15.202
  767    HD2  PRO 112           HD2      PRO 112  -3.220  -2.359 -12.608
  768    HD3  PRO 112           HD3      PRO 112  -2.115  -3.317 -13.640
  769    H    ARG 113           H        ARG 113  -2.421   0.690 -12.407
  770    HA   ARG 113           HA       ARG 113  -3.740   2.936 -13.742
  771    HB2  ARG 113           HB2      ARG 113  -3.369   2.336 -10.779
  772    HB3  ARG 113           HB3      ARG 113  -4.210   3.746 -11.422
  773    HG2  ARG 113           HG2      ARG 113  -5.693   2.057 -12.732
  774    HG3  ARG 113           HG3      ARG 113  -5.002   0.831 -11.667
  775    HD2  ARG 113           HD2      ARG 113  -7.078   1.457 -10.700
  776    HD3  ARG 113           HD3      ARG 113  -5.841   2.222  -9.689
  777    HE   ARG 113           HE       ARG 113  -6.342   4.221 -11.389
  778   HH11  ARG 113          HH11      ARG 113  -8.897   2.217  -9.746
  779   HH12  ARG 113          HH12      ARG 113  -9.944   3.558  -9.726
  780   HH21  ARG 113          HH21      ARG 113  -7.911   5.829 -11.301
  781   HH22  ARG 113          HH22      ARG 113  -9.409   5.527 -10.466
  782    H    LEU 114           H        LEU 114  -0.510   2.408 -12.945
  783    HA   LEU 114           HA       LEU 114   0.208   5.251 -13.293
  784    HB2  LEU 114           HB2      LEU 114   1.320   3.544 -11.016
  785    HB3  LEU 114           HB3      LEU 114   1.876   5.131 -11.509
  786    HG   LEU 114           HG       LEU 114  -0.708   5.786 -11.025
  787   HD11  LEU 114          HD11      LEU 114  -0.122   3.499  -9.070
  788   HD12  LEU 114          HD12      LEU 114  -1.491   4.622  -8.964
  789   HD13  LEU 114          HD13      LEU 114  -1.384   3.474 -10.299
  790   HD21  LEU 114          HD21      LEU 114   1.281   6.825  -9.980
  791   HD22  LEU 114          HD22      LEU 114  -0.036   6.577  -8.824
  792   HD23  LEU 114          HD23      LEU 114   1.349   5.470  -8.822
  793    H    LYS 115           H        LYS 115   2.204   5.448 -14.394
  794    HA   LYS 115           HA       LYS 115   3.265   2.898 -15.562
  795    HB2  LYS 115           HB2      LYS 115   2.808   3.647 -17.806
  796    HB3  LYS 115           HB3      LYS 115   1.323   3.519 -16.886
  797    HG2  LYS 115           HG2      LYS 115   2.704   6.214 -17.005
  798    HG3  LYS 115           HG3      LYS 115   1.893   5.629 -18.456
  799    HD2  LYS 115           HD2      LYS 115  -0.217   5.454 -17.398
  800    HD3  LYS 115           HD3      LYS 115   0.440   5.687 -15.784
  801    HE2  LYS 115           HE2      LYS 115   0.569   7.803 -17.982
  802    HE3  LYS 115           HE3      LYS 115  -0.705   7.723 -16.754
  803    HZ1  LYS 115           HZ1      LYS 115   2.194   8.061 -16.138
  804    HZ2  LYS 115           HZ2      LYS 115   1.043   9.240 -16.039
  805    HZ3  LYS 115           HZ3      LYS 115   1.065   7.917 -15.041
  806    H    SER 116           H        SER 116   4.511   5.142 -13.942
  807    HA   SER 116           HA       SER 116   7.075   4.700 -15.200
  808    HB2  SER 116           HB2      SER 116   7.860   6.961 -15.326
  809    HB3  SER 116           HB3      SER 116   6.419   6.827 -16.336
  810    HG   SER 116           HG       SER 116   5.209   7.835 -14.714
  811    H    LEU 117           H        LEU 117   8.838   5.375 -13.628
  812    HA   LEU 117           HA       LEU 117   7.930   5.077 -10.822
  813    HB2  LEU 117           HB2      LEU 117   9.731   3.663 -11.629
  814    HB3  LEU 117           HB3      LEU 117  10.625   5.044 -12.218
  815    HG   LEU 117           HG       LEU 117  10.882   5.838  -9.850
  816   HD11  LEU 117          HD11      LEU 117   9.777   3.062  -9.165
  817   HD12  LEU 117          HD12      LEU 117  10.533   4.188  -8.019
  818   HD13  LEU 117          HD13      LEU 117   9.000   4.611  -8.786
  819   HD21  LEU 117          HD21      LEU 117  12.631   4.579 -11.093
  820   HD22  LEU 117          HD22      LEU 117  12.681   4.267  -9.361
  821   HD23  LEU 117          HD23      LEU 117  11.981   3.052 -10.455
  822    H    ASP 118           H        ASP 118   9.461   7.490 -12.966
  823    HA   ASP 118           HA       ASP 118   9.939   9.634 -11.355
  824    HB2  ASP 118           HB2      ASP 118   8.617   9.552 -14.103
  825    HB3  ASP 118           HB3      ASP 118   9.228  11.017 -13.345
  826    H    GLU 119           H        GLU 119   6.658   8.702 -12.553
  827    HA   GLU 119           HA       GLU 119   5.400  10.983 -11.334
  828    HB2  GLU 119           HB2      GLU 119   3.333  10.131 -12.094
  829    HB3  GLU 119           HB3      GLU 119   4.541   9.816 -13.324
  830    HG2  GLU 119           HG2      GLU 119   4.678   7.433 -12.242
  831    HG3  GLU 119           HG3      GLU 119   3.152   7.855 -11.468
  832    H    VAL 120           H        VAL 120   6.679   8.327  -9.739
  833    HA   VAL 120           HA       VAL 120   4.910   8.825  -7.379
  834    HB   VAL 120           HB       VAL 120   5.156   6.465  -6.701
  835   HG11  VAL 120          HG11      VAL 120   3.853   6.790  -9.417
  836   HG12  VAL 120          HG12      VAL 120   3.539   5.525  -8.221
  837   HG13  VAL 120          HG13      VAL 120   3.133   7.211  -7.844
  838   HG21  VAL 120          HG21      VAL 120   7.216   5.909  -8.048
  839   HG22  VAL 120          HG22      VAL 120   5.898   4.739  -8.230
  840   HG23  VAL 120          HG23      VAL 120   6.204   5.925  -9.511
  841    H    LYS 121           H        LYS 121   7.748   9.676  -8.335
  842    HA   LYS 121           HA       LYS 121   9.740   8.544  -6.768
  843    HB2  LYS 121           HB2      LYS 121  11.058  10.463  -7.446
  844    HB3  LYS 121           HB3      LYS 121  10.015   9.955  -8.774
  845    HG2  LYS 121           HG2      LYS 121   8.400  11.781  -8.171
  846    HG3  LYS 121           HG3      LYS 121   9.484  12.299  -6.876
  847    HD2  LYS 121           HD2      LYS 121  11.215  12.907  -8.455
  848    HD3  LYS 121           HD3      LYS 121  10.292  12.211  -9.814
  849    HE2  LYS 121           HE2      LYS 121   8.486  13.796  -9.506
  850    HE3  LYS 121           HE3      LYS 121   9.206  14.422  -8.016
  851    HZ1  LYS 121           HZ1      LYS 121  10.470  14.667 -10.687
  852    HZ2  LYS 121           HZ2      LYS 121   9.598  15.855  -9.922
  853    HZ3  LYS 121           HZ3      LYS 121  11.029  15.303  -9.305
  854    H    ASP 122           H        ASP 122   7.275  10.225  -5.288
  855    HA   ASP 122           HA       ASP 122   8.915  10.714  -2.863
  856    HB2  ASP 122           HB2      ASP 122   8.610  12.869  -4.272
  857    HB3  ASP 122           HB3      ASP 122   6.913  12.809  -3.791
  858    H    LYS 123           H        LYS 123   6.871   8.693  -3.745
  859    HA   LYS 123           HA       LYS 123   4.717   9.200  -1.725
  860    HB2  LYS 123           HB2      LYS 123   4.751   7.199  -4.021
  861    HB3  LYS 123           HB3      LYS 123   3.419   7.541  -2.936
  862    HG2  LYS 123           HG2      LYS 123   4.458   9.171  -5.226
  863    HG3  LYS 123           HG3      LYS 123   2.819   8.639  -4.861
  864    HD2  LYS 123           HD2      LYS 123   3.077  10.308  -2.793
  865    HD3  LYS 123           HD3      LYS 123   4.397  10.973  -3.764
  866    HE2  LYS 123           HE2      LYS 123   2.519  10.775  -5.671
  867    HE3  LYS 123           HE3      LYS 123   1.444  10.901  -4.293
  868    HZ1  LYS 123           HZ1      LYS 123   3.564  12.897  -4.821
  869    HZ2  LYS 123           HZ2      LYS 123   1.990  13.133  -5.196
  870    HZ3  LYS 123           HZ3      LYS 123   2.435  12.940  -3.624
  871    H    ALA 124           H        ALA 124   4.091   7.688  -0.264
  872    HA   ALA 124           HA       ALA 124   5.868   5.354   0.220
  873    HB1  ALA 124           HB1      ALA 124   3.382   6.332   1.686
  874    HB2  ALA 124           HB2      ALA 124   4.436   4.983   2.175
  875    HB3  ALA 124           HB3      ALA 124   5.065   6.636   2.175
  876    H    LEU 125           H        LEU 125   5.183   3.259  -0.078
  877    HA   LEU 125           HA       LEU 125   2.403   2.778  -1.027
  878    HB2  LEU 125           HB2      LEU 125   4.071   0.540  -1.682
  879    HB3  LEU 125           HB3      LEU 125   2.775   1.378  -2.524
  880    HG   LEU 125           HG       LEU 125   4.531   3.076  -3.305
  881   HD11  LEU 125          HD11      LEU 125   6.326   0.806  -2.308
  882   HD12  LEU 125          HD12      LEU 125   6.840   2.085  -3.424
  883   HD13  LEU 125          HD13      LEU 125   6.381   2.500  -1.782
  884   HD21  LEU 125          HD21      LEU 125   3.491   1.269  -4.706
  885   HD22  LEU 125          HD22      LEU 125   5.171   1.601  -5.167
  886   HD23  LEU 125          HD23      LEU 125   4.771   0.167  -4.196
  887    H    MET 126           H        MET 126   1.348   1.234   0.067
  888    HA   MET 126           HA       MET 126   2.750  -0.019   2.390
  889    HB2  MET 126           HB2      MET 126   0.273   0.538   3.455
  890    HB3  MET 126           HB3      MET 126   1.769   1.351   3.791
  891    HG2  MET 126           HG2      MET 126  -0.017   2.340   1.569
  892    HG3  MET 126           HG3      MET 126  -0.308   2.773   3.246
  893    HE1  MET 126           HE1      MET 126   2.229   3.409   4.678
  894    HE2  MET 126           HE2      MET 126   2.650   5.056   4.197
  895    HE3  MET 126           HE3      MET 126   0.957   4.648   4.554
  896    H    ILE 127           H        ILE 127   1.885  -1.770   3.360
  897    HA   ILE 127           HA       ILE 127   0.196  -3.562   1.630
  898    HB   ILE 127           HB       ILE 127   2.068  -4.292   3.929
  899   HG12  ILE 127          HG12      ILE 127   2.450  -4.484   0.911
  900   HG13  ILE 127          HG13      ILE 127   3.365  -3.487   2.031
  901   HG21  ILE 127          HG21      ILE 127   0.532  -6.051   1.955
  902   HG22  ILE 127          HG22      ILE 127   1.651  -6.631   3.210
  903   HG23  ILE 127          HG23      ILE 127   0.155  -5.855   3.679
  904   HD11  ILE 127          HD11      ILE 127   3.463  -6.519   1.875
  905   HD12  ILE 127          HD12      ILE 127   4.715  -5.366   1.415
  906   HD13  ILE 127          HD13      ILE 127   4.268  -5.538   3.126
  907    H    HIS 128           H        HIS 128  -1.759  -4.205   2.386
  908    HA   HIS 128           HA       HIS 128  -2.715  -2.922   4.902
  909    HB2  HIS 128           HB2      HIS 128  -3.933  -3.146   2.132
  910    HB3  HIS 128           HB3      HIS 128  -4.771  -2.467   3.488
  911    HD1  HIS 128           HD1      HIS 128  -1.802  -1.646   1.292
  912    HD2  HIS 128           HD2      HIS 128  -4.264   0.013   4.242
  913    HE1  HIS 128           HE1      HIS 128  -1.436   0.864   1.167
  914    H    VAL 129           H        VAL 129  -4.388  -3.896   6.089
  915    HA   VAL 129           HA       VAL 129  -3.708  -6.632   6.462
  916    HB   VAL 129           HB       VAL 129  -5.701  -4.797   7.789
  917   HG11  VAL 129          HG11      VAL 129  -5.121  -7.673   8.622
  918   HG12  VAL 129          HG12      VAL 129  -5.925  -6.459   9.641
  919   HG13  VAL 129          HG13      VAL 129  -6.700  -6.997   8.151
  920   HG21  VAL 129          HG21      VAL 129  -3.215  -4.467   8.133
  921   HG22  VAL 129          HG22      VAL 129  -4.050  -4.891   9.633
  922   HG23  VAL 129          HG23      VAL 129  -3.110  -6.115   8.758
  923    H    GLY 130           H        GLY 130  -6.654  -5.246   4.998
  924    HA2  GLY 130           HA2      GLY 130  -7.557  -8.030   4.280
  925    HA3  GLY 130           HA3      GLY 130  -8.594  -6.591   4.310
  926    H    GLY 131           H        GLY 131  -7.897  -8.512   2.123
  927    HA2  GLY 131           HA2      GLY 131  -6.913  -7.007  -0.103
  928    HA3  GLY 131           HA3      GLY 131  -8.090  -8.330  -0.157
  929    H    ASP 132           H        ASP 132  -8.066  -5.895  -1.648
  930    HA   ASP 132           HA       ASP 132  -9.129  -3.848   0.060
  931    HB2  ASP 132           HB2      ASP 132  -6.972  -3.931  -1.220
  932    HB3  ASP 132           HB3      ASP 132  -7.879  -3.793  -2.716
  933    H    ASN 133           H        ASN 133 -10.588  -5.580  -2.503
  934    HA   ASN 133           HA       ASN 133 -11.959  -3.432  -3.805
  935    HB2  ASN 133           HB2      ASN 133 -13.033  -5.323  -5.089
  936    HB3  ASN 133           HB3      ASN 133 -11.275  -5.287  -5.080
  937   HD21  ASN 133          HD21      ASN 133 -13.938  -6.765  -3.106
  938   HD22  ASN 133          HD22      ASN 133 -13.085  -8.281  -2.841
  939    H    MET 134           H        MET 134 -12.818  -2.834  -1.373
  940    HA   MET 134           HA       MET 134 -15.744  -3.464  -1.411
  941    HB2  MET 134           HB2      MET 134 -13.868  -3.818   0.954
  942    HB3  MET 134           HB3      MET 134 -15.610  -3.621   1.139
  943    HG2  MET 134           HG2      MET 134 -15.982  -5.614  -0.296
  944    HG3  MET 134           HG3      MET 134 -14.242  -5.855  -0.414
  945    HE1  MET 134           HE1      MET 134 -12.876  -5.534   2.223
  946    HE2  MET 134           HE2      MET 134 -13.121  -7.106   3.002
  947    HE3  MET 134           HE3      MET 134 -12.776  -7.022   1.263
  948    H    SER 135           H        SER 135 -16.990  -1.749  -1.096
  949    HA   SER 135           HA       SER 135 -15.883   0.731   0.191
  950    HB2  SER 135           HB2      SER 135 -17.276   0.602  -2.510
  951    HB3  SER 135           HB3      SER 135 -16.920   2.082  -1.600
  952    HG   SER 135           HG       SER 135 -15.303   1.738  -3.065
  953    H    ASP 136           H        ASP 136 -18.840  -0.535  -1.356
  954    HA   ASP 136           HA       ASP 136 -20.556   1.278  -0.111
  955    HB2  ASP 136           HB2      ASP 136 -21.533  -1.254  -1.432
  956    HB3  ASP 136           HB3      ASP 136 -22.190   0.379  -1.529
  957    H    GLN 137           H        GLN 137 -19.400   0.091   2.045
  958    HA   GLN 137           HA       GLN 137 -21.523  -1.472   3.471
  959    HB2  GLN 137           HB2      GLN 137 -18.509  -1.876   3.257
  960    HB3  GLN 137           HB3      GLN 137 -19.366  -2.438   4.683
  961    HG2  GLN 137           HG2      GLN 137 -20.788  -3.903   3.366
  962    HG3  GLN 137           HG3      GLN 137 -20.143  -3.256   1.855
  963   HE21  GLN 137          HE21      GLN 137 -18.212  -4.155   1.007
  964   HE22  GLN 137          HE22      GLN 137 -17.306  -5.387   1.897
  965    HA   PRO 138           HA       PRO 138 -21.279   1.651   6.550
  966    HB2  PRO 138           HB2      PRO 138 -21.312   0.332   8.979
  967    HB3  PRO 138           HB3      PRO 138 -22.723   0.515   7.895
  968    HG2  PRO 138           HG2      PRO 138 -20.824  -1.841   8.107
  969    HG3  PRO 138           HG3      PRO 138 -22.619  -1.861   8.082
  970    HD2  PRO 138           HD2      PRO 138 -21.217  -2.355   5.843
  971    HD3  PRO 138           HD3      PRO 138 -22.675  -1.329   5.765
  972    H    LYS 139           H        LYS 139 -18.675  -0.727   6.640
  973    HA   LYS 139           HA       LYS 139 -17.048   1.695   6.783
  974    HB2  LYS 139           HB2      LYS 139 -16.196  -0.895   8.151
  975    HB3  LYS 139           HB3      LYS 139 -15.082   0.398   7.688
  976    HG2  LYS 139           HG2      LYS 139 -16.578   1.984   9.069
  977    HG3  LYS 139           HG3      LYS 139 -17.303   0.529   9.759
  978    HD2  LYS 139           HD2      LYS 139 -14.348   1.300   9.846
  979    HD3  LYS 139           HD3      LYS 139 -15.502   1.504  11.167
  980    HE2  LYS 139           HE2      LYS 139 -15.807  -0.926  11.348
  981    HE3  LYS 139           HE3      LYS 139 -14.744  -1.192   9.958
  982    HZ1  LYS 139           HZ1      LYS 139 -13.882   0.042  12.524
  983    HZ2  LYS 139           HZ2      LYS 139 -13.550  -1.508  12.022
  984    HZ3  LYS 139           HZ3      LYS 139 -12.924  -0.222  11.230
  985    HA   PRO 140           HA       PRO 140 -15.837  -0.167   2.837
  986    HB2  PRO 140           HB2      PRO 140 -13.858   1.532   2.079
  987    HB3  PRO 140           HB3      PRO 140 -15.572   2.031   2.104
  988    HG2  PRO 140           HG2      PRO 140 -13.484   2.499   4.257
  989    HG3  PRO 140           HG3      PRO 140 -14.579   3.703   3.498
  990    HD2  PRO 140           HD2      PRO 140 -15.176   2.497   5.868
  991    HD3  PRO 140           HD3      PRO 140 -16.455   2.873   4.670
  992    H    LEU 141           H        LEU 141 -13.825  -1.154   1.932
  993    HA   LEU 141           HA       LEU 141 -12.274  -2.798   2.086
  994    HB2  LEU 141           HB2      LEU 141 -11.106  -0.939   4.195
  995    HB3  LEU 141           HB3      LEU 141 -10.309  -2.369   3.570
  996    HG   LEU 141           HG       LEU 141 -10.370  -1.428   1.264
  997   HD11  LEU 141          HD11      LEU 141 -11.374   1.074   2.696
  998   HD12  LEU 141          HD12      LEU 141 -10.560   1.115   1.119
  999   HD13  LEU 141          HD13      LEU 141 -12.087   0.258   1.279
 1000   HD21  LEU 141          HD21      LEU 141  -8.377  -1.288   2.714
 1001   HD22  LEU 141          HD22      LEU 141  -8.516   0.141   1.682
 1002   HD23  LEU 141          HD23      LEU 141  -8.972   0.252   3.392
 1003    H    GLY 142           H        GLY 142 -14.654  -2.772   4.212
 1004    HA2  GLY 142           HA2      GLY 142 -15.501  -4.296   5.733
 1005    HA3  GLY 142           HA3      GLY 142 -14.133  -5.371   5.362
 1006    H    GLY 143           H        GLY 143 -13.137  -2.258   6.380
 1007    HA2  GLY 143           HA2      GLY 143 -12.197  -1.525   8.432
 1008    HA3  GLY 143           HA3      GLY 143 -12.619  -3.078   9.198
 1009    H    GLY 144           H        GLY 144 -11.168  -3.810   6.252
 1010    HA2  GLY 144           HA2      GLY 144  -8.639  -4.610   7.476
 1011    HA3  GLY 144           HA3      GLY 144  -9.195  -4.892   5.805
 1012    H    GLY 145           H        GLY 145  -9.383  -1.589   6.654
 1013    HA2  GLY 145           HA2      GLY 145  -7.246  -0.837   4.826
 1014    HA3  GLY 145           HA3      GLY 145  -8.307   0.250   5.766
 1015    H    THR 146           H        THR 146  -7.102  -1.732   8.060
 1016    HA   THR 146           HA       THR 146  -4.909  -0.081   8.966
 1017    HB   THR 146           HB       THR 146  -4.527  -2.146  10.493
 1018    HG1  THR 146           HG1      THR 146  -6.583  -3.387  10.518
 1019   HG21  THR 146          HG21      THR 146  -7.272  -0.807  10.524
 1020   HG22  THR 146          HG22      THR 146  -6.475  -1.613  11.891
 1021   HG23  THR 146          HG23      THR 146  -5.788  -0.126  11.217
 1022    H    ARG 147           H        ARG 147  -2.712  -0.880   9.218
 1023    HA   ARG 147           HA       ARG 147  -1.787  -1.979   6.616
 1024    HB2  ARG 147           HB2      ARG 147   0.358  -0.646   7.374
 1025    HB3  ARG 147           HB3      ARG 147  -1.004   0.107   6.579
 1026    HG2  ARG 147           HG2      ARG 147  -0.197   1.523   8.340
 1027    HG3  ARG 147           HG3      ARG 147  -1.840   1.039   8.666
 1028    HD2  ARG 147           HD2      ARG 147   0.012  -0.791  10.012
 1029    HD3  ARG 147           HD3      ARG 147   0.482   0.857  10.308
 1030    HE   ARG 147           HE       ARG 147  -1.684   1.354  11.248
 1031   HH11  ARG 147          HH11      ARG 147  -1.121  -2.177  10.964
 1032   HH12  ARG 147          HH12      ARG 147  -2.203  -2.477  12.304
 1033   HH21  ARG 147          HH21      ARG 147  -3.086   0.718  12.973
 1034   HH22  ARG 147          HH22      ARG 147  -3.252  -0.995  13.290
 1035    H    TYR 148           H        TYR 148  -0.055  -3.383   6.418
 1036    HA   TYR 148           HA       TYR 148   1.106  -4.452   8.967
 1037    HB2  TYR 148           HB2      TYR 148  -0.127  -6.090   7.337
 1038    HB3  TYR 148           HB3      TYR 148   1.377  -6.052   6.408
 1039    HD1  TYR 148           HD1      TYR 148  -0.139  -6.863   9.707
 1040    HD2  TYR 148           HD2      TYR 148   3.434  -6.984   7.293
 1041    HE1  TYR 148           HE1      TYR 148   0.951  -8.325  11.398
 1042    HE2  TYR 148           HE2      TYR 148   4.523  -8.422   8.973
 1043    HH   TYR 148           HH       TYR 148   2.881  -9.450  11.992
 1044    H    ALA 149           H        ALA 149   1.850  -2.662   6.056
 1045    HA   ALA 149           HA       ALA 149   4.399  -1.977   7.222
 1046    HB1  ALA 149           HB1      ALA 149   4.454  -3.406   4.519
 1047    HB2  ALA 149           HB2      ALA 149   5.837  -2.711   5.377
 1048    HB3  ALA 149           HB3      ALA 149   5.011  -4.125   6.050
 1049    H    CYS 150           H        CYS 150   5.461  -0.200   6.178
 1050    HA   CYS 150           HA       CYS 150   4.170   0.985   3.789
 1051    HB2  CYS 150           HB2      CYS 150   4.545   3.125   4.437
 1052    HB3  CYS 150           HB3      CYS 150   4.095   2.451   5.991
 1053    H    GLY 151           H        GLY 151   5.791   1.914   2.319
 1054    HA2  GLY 151           HA2      GLY 151   8.620   1.856   3.063
 1055    HA3  GLY 151           HA3      GLY 151   8.234   0.935   1.607
 1056    H    VAL 152           H        VAL 152   9.535   3.699   2.293
 1057    HA   VAL 152           HA       VAL 152   7.974   5.495   0.541
 1058    HB   VAL 152           HB       VAL 152  10.539   6.011   2.086
 1059   HG11  VAL 152          HG11      VAL 152   8.603   7.921   0.687
 1060   HG12  VAL 152          HG12      VAL 152   9.960   8.416   1.723
 1061   HG13  VAL 152          HG13      VAL 152  10.282   7.587   0.205
 1062   HG21  VAL 152          HG21      VAL 152   8.662   5.485   3.610
 1063   HG22  VAL 152          HG22      VAL 152   9.076   7.186   3.704
 1064   HG23  VAL 152          HG23      VAL 152   7.642   6.682   2.783
 1065    H    ILE 153           H        ILE 153   8.458   5.927  -1.529
 1066    HA   ILE 153           HA       ILE 153  10.350   4.317  -2.980
 1067    HB   ILE 153           HB       ILE 153   8.514   6.563  -3.745
 1068   HG12  ILE 153          HG12      ILE 153   8.594   3.656  -4.672
 1069   HG13  ILE 153          HG13      ILE 153   7.867   4.053  -3.130
 1070   HG21  ILE 153          HG21      ILE 153  10.424   5.022  -5.573
 1071   HG22  ILE 153          HG22      ILE 153   9.077   6.030  -6.136
 1072   HG23  ILE 153          HG23      ILE 153  10.422   6.775  -5.279
 1073   HD11  ILE 153          HD11      ILE 153   6.978   5.195  -5.807
 1074   HD12  ILE 153          HD12      ILE 153   6.172   3.902  -4.923
 1075   HD13  ILE 153          HD13      ILE 153   6.225   5.529  -4.232
 1076    H    LYS 154           H        LYS 154  12.360   4.446  -3.309
 1077    HA   LYS 154           HA       LYS 154  13.737   7.124  -3.058
 1078    HB2  LYS 154           HB2      LYS 154  14.912   4.335  -2.693
 1079    HB3  LYS 154           HB3      LYS 154  15.778   5.857  -2.513
 1080    HG2  LYS 154           HG2      LYS 154  13.529   4.834  -0.738
 1081    HG3  LYS 154           HG3      LYS 154  15.239   4.934  -0.335
 1082    HD2  LYS 154           HD2      LYS 154  15.141   7.421  -0.441
 1083    HD3  LYS 154           HD3      LYS 154  13.435   7.328  -0.900
 1084    HE2  LYS 154           HE2      LYS 154  13.377   7.809   1.381
 1085    HE3  LYS 154           HE3      LYS 154  12.952   6.107   1.239
 1086    HZ1  LYS 154           HZ1      LYS 154  15.600   7.187   2.080
 1087    HZ2  LYS 154           HZ2      LYS 154  14.476   6.493   3.030
 1088    HZ3  LYS 154           HZ3      LYS 154  15.291   5.589   1.904
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1  11.491   1.935 -15.971
    2    H2   ALA   1           H2       ALA   1  12.155   3.402 -16.387
    3    H3   ALA   1           H3       ALA   1  11.042   3.307 -15.163
    4    HA   ALA   1           HA       ALA   1  13.753   2.237 -15.173
    5    HB1  ALA   1           HB1      ALA   1  12.562   4.213 -13.182
    6    HB2  ALA   1           HB2      ALA   1  14.261   3.850 -13.507
    7    HB3  ALA   1           HB3      ALA   1  13.290   4.746 -14.697
    8    H    SER   2           H        SER   2  13.902   2.163 -12.322
    9    HA   SER   2           HA       SER   2  11.946   0.197 -11.395
   10    HB2  SER   2           HB2      SER   2  14.848  -0.604 -11.333
   11    HB3  SER   2           HB3      SER   2  13.422  -1.624 -11.169
   12    HG   SER   2           HG       SER   2  13.124  -1.384 -13.489
   13    H    GLU   3           H        GLU   3  12.169  -0.198  -9.136
   14    HA   GLU   3           HA       GLU   3  14.219   1.191  -7.575
   15    HB2  GLU   3           HB2      GLU   3  12.466   2.959  -7.997
   16    HB3  GLU   3           HB3      GLU   3  11.280   1.890  -7.219
   17    HG2  GLU   3           HG2      GLU   3  11.848   3.324  -5.508
   18    HG3  GLU   3           HG3      GLU   3  12.911   1.948  -5.165
   19    H    LYS   4           H        LYS   4  14.802  -0.261  -6.076
   20    HA   LYS   4           HA       LYS   4  12.953  -2.360  -5.122
   21    HB2  LYS   4           HB2      LYS   4  15.150  -3.063  -5.772
   22    HB3  LYS   4           HB3      LYS   4  15.931  -1.731  -4.918
   23    HG2  LYS   4           HG2      LYS   4  15.418  -2.678  -2.770
   24    HG3  LYS   4           HG3      LYS   4  14.436  -3.955  -3.519
   25    HD2  LYS   4           HD2      LYS   4  16.375  -4.960  -4.539
   26    HD3  LYS   4           HD3      LYS   4  17.420  -3.606  -4.100
   27    HE2  LYS   4           HE2      LYS   4  15.992  -5.226  -1.960
   28    HE3  LYS   4           HE3      LYS   4  17.472  -5.839  -2.706
   29    HZ1  LYS   4           HZ1      LYS   4  17.348  -3.175  -1.408
   30    HZ2  LYS   4           HZ2      LYS   4  17.861  -4.518  -0.643
   31    HZ3  LYS   4           HZ3      LYS   4  18.681  -3.962  -1.961
   32    H    VAL   5           H        VAL   5  11.413  -1.492  -3.649
   33    HA   VAL   5           HA       VAL   5  12.416   0.643  -1.830
   34    HB   VAL   5           HB       VAL   5   9.619  -0.358  -2.390
   35   HG11  VAL   5          HG11      VAL   5  10.577   1.883  -0.538
   36   HG12  VAL   5          HG12      VAL   5   8.896   1.645  -1.045
   37   HG13  VAL   5          HG13      VAL   5   9.687   0.422  -0.055
   38   HG21  VAL   5          HG21      VAL   5  10.750   0.948  -4.202
   39   HG22  VAL   5          HG22      VAL   5   9.424   1.862  -3.479
   40   HG23  VAL   5          HG23      VAL   5  11.099   2.245  -3.043
   41    H    GLY   6           H        GLY   6  13.100   0.290   0.093
   42    HA2  GLY   6           HA2      GLY   6  12.897  -2.297   1.459
   43    HA3  GLY   6           HA3      GLY   6  13.784  -0.847   2.005
   44    H    MET   7           H        MET   7  10.987  -2.731   2.273
   45    HA   MET   7           HA       MET   7   9.352  -0.706   3.654
   46    HB2  MET   7           HB2      MET   7   8.904  -3.612   2.912
   47    HB3  MET   7           HB3      MET   7   7.758  -2.663   3.889
   48    HG2  MET   7           HG2      MET   7   7.575  -0.996   2.110
   49    HG3  MET   7           HG3      MET   7   8.677  -1.930   1.084
   50    HE1  MET   7           HE1      MET   7   6.613  -1.525  -0.674
   51    HE2  MET   7           HE2      MET   7   4.947  -2.057  -0.318
   52    HE3  MET   7           HE3      MET   7   5.710  -0.787   0.670
   53    H    ASN   8           H        ASN   8   8.727  -0.673   5.691
   54    HA   ASN   8           HA       ASN   8  10.139  -2.368   7.688
   55    HB2  ASN   8           HB2      ASN   8  10.685   0.163   7.338
   56    HB3  ASN   8           HB3      ASN   8   9.151   0.459   8.184
   57   HD21  ASN   8          HD21      ASN   8  12.502  -0.223   8.512
   58   HD22  ASN   8          HD22      ASN   8  12.470  -0.895  10.139
   59    H    LEU   9           H        LEU   9   8.997  -2.959   9.535
   60    HA   LEU   9           HA       LEU   9   6.146  -3.400   9.209
   61    HB2  LEU   9           HB2      LEU   9   8.099  -4.136  11.431
   62    HB3  LEU   9           HB3      LEU   9   6.440  -4.712  11.317
   63    HG   LEU   9           HG       LEU   9   8.637  -5.320   9.280
   64   HD11  LEU   9          HD11      LEU   9   7.405  -7.038  11.473
   65   HD12  LEU   9          HD12      LEU   9   8.523  -7.610  10.221
   66   HD13  LEU   9          HD13      LEU   9   9.075  -6.419  11.410
   67   HD21  LEU   9          HD21      LEU   9   6.495  -5.362   8.165
   68   HD22  LEU   9          HD22      LEU   9   7.004  -7.025   8.453
   69   HD23  LEU   9          HD23      LEU   9   5.769  -6.291   9.500
   70    H    VAL  10           H        VAL  10   5.915  -0.983   9.142
   71    HA   VAL  10           HA       VAL  10   5.845   0.465  11.656
   72    HB   VAL  10           HB       VAL  10   5.058   2.334  10.525
   73   HG11  VAL  10          HG11      VAL  10   6.479   0.946   8.230
   74   HG12  VAL  10          HG12      VAL  10   6.513   2.657   8.683
   75   HG13  VAL  10          HG13      VAL  10   7.328   1.457   9.695
   76   HG21  VAL  10          HG21      VAL  10   3.015   1.481   9.501
   77   HG22  VAL  10          HG22      VAL  10   3.965   2.348   8.312
   78   HG23  VAL  10          HG23      VAL  10   3.960   0.562   8.305
   79    H    THR  11           H        THR  11   4.135   1.492  12.616
   80    HA   THR  11           HA       THR  11   1.411   0.508  12.391
   81    HB   THR  11           HB       THR  11   2.479  -1.421  13.422
   82    HG1  THR  11           HG1      THR  11   1.039  -1.588  15.082
   83   HG21  THR  11          HG21      THR  11   3.186   0.445  15.737
   84   HG22  THR  11          HG22      THR  11   3.312  -1.324  15.749
   85   HG23  THR  11          HG23      THR  11   4.332  -0.376  14.660
   86    H    ALA  12           H        ALA  12   0.890   1.133  15.114
   87    HA   ALA  12           HA       ALA  12  -0.036   3.817  14.816
   88    HB1  ALA  12           HB1      ALA  12   0.246   2.067  17.293
   89    HB2  ALA  12           HB2      ALA  12  -0.712   3.561  17.194
   90    HB3  ALA  12           HB3      ALA  12  -1.153   2.156  16.204
   91    H    GLN  13           H        GLN  13   2.956   2.650  16.152
   92    HA   GLN  13           HA       GLN  13   3.729   5.160  17.485
   93    HB2  GLN  13           HB2      GLN  13   5.185   2.530  16.893
   94    HB3  GLN  13           HB3      GLN  13   5.848   3.896  17.821
   95    HG2  GLN  13           HG2      GLN  13   5.133   1.936  19.176
   96    HG3  GLN  13           HG3      GLN  13   4.599   3.560  19.667
   97   HE21  GLN  13          HE21      GLN  13   2.439   3.915  19.949
   98   HE22  GLN  13          HE22      GLN  13   1.240   2.951  19.071
   99    H    GLY  14           H        GLY  14   3.895   3.981  14.246
  100    HA2  GLY  14           HA2      GLY  14   5.053   4.982  12.408
  101    HA3  GLY  14           HA3      GLY  14   6.277   5.635  13.539
  102    H    VAL  15           H        VAL  15   8.061   4.665  12.876
  103    HA   VAL  15           HA       VAL  15   8.195   2.219  11.457
  104    HB   VAL  15           HB       VAL  15  10.506   3.809  12.611
  105   HG11  VAL  15          HG11      VAL  15  10.339   2.045  10.133
  106   HG12  VAL  15          HG12      VAL  15  11.752   2.993  10.621
  107   HG13  VAL  15          HG13      VAL  15  11.224   1.645  11.630
  108   HG21  VAL  15          HG21      VAL  15   9.096   5.374  11.362
  109   HG22  VAL  15          HG22      VAL  15  10.538   5.017  10.418
  110   HG23  VAL  15          HG23      VAL  15   8.997   4.241   9.995
  111    H    GLY  16           H        GLY  16   8.983   0.209  11.899
  112    HA2  GLY  16           HA2      GLY  16   9.535  -0.569  14.745
  113    HA3  GLY  16           HA3      GLY  16   8.623  -1.539  13.561
  114    H    GLN  17           H        GLN  17   9.703  -3.032  12.391
  115    HA   GLN  17           HA       GLN  17  12.659  -3.045  12.254
  116    HB2  GLN  17           HB2      GLN  17  10.747  -4.950  13.290
  117    HB3  GLN  17           HB3      GLN  17  11.231  -5.583  11.734
  118    HG2  GLN  17           HG2      GLN  17  13.692  -4.873  12.752
  119    HG3  GLN  17           HG3      GLN  17  12.711  -5.171  14.215
  120   HE21  GLN  17          HE21      GLN  17  13.592  -6.584  10.949
  121   HE22  GLN  17          HE22      GLN  17  13.486  -8.244  11.501
  122    H    SER  18           H        SER  18  13.634  -3.614  10.267
  123    HA   SER  18           HA       SER  18  11.874  -4.003   7.895
  124    HB2  SER  18           HB2      SER  18  13.503  -2.330   7.558
  125    HB3  SER  18           HB3      SER  18  14.778  -3.315   8.304
  126    HG   SER  18           HG       SER  18  14.959  -3.300   6.047
  127    H    ILE  19           H        ILE  19  11.850  -5.793   6.670
  128    HA   ILE  19           HA       ILE  19  13.335  -8.249   7.535
  129    HB   ILE  19           HB       ILE  19  11.233  -9.542   7.463
  130   HG12  ILE  19          HG12      ILE  19   9.588  -7.010   7.681
  131   HG13  ILE  19          HG13      ILE  19  10.048  -7.606   6.076
  132   HG21  ILE  19          HG21      ILE  19  11.117  -7.351   9.560
  133   HG22  ILE  19          HG22      ILE  19  10.401  -8.974   9.651
  134   HG23  ILE  19          HG23      ILE  19  12.159  -8.791   9.610
  135   HD11  ILE  19          HD11      ILE  19   8.503  -9.192   8.139
  136   HD12  ILE  19          HD12      ILE  19   7.873  -8.477   6.640
  137   HD13  ILE  19          HD13      ILE  19   9.052  -9.798   6.551
  138    H    GLY  20           H        GLY  20  12.846  -6.330   4.983
  139    HA2  GLY  20           HA2      GLY  20  13.462  -7.971   2.852
  140    HA3  GLY  20           HA3      GLY  20  11.721  -8.162   3.035
  141    H    THR  21           H        THR  21  12.692  -7.119   0.706
  142    HA   THR  21           HA       THR  21  11.650  -4.298   0.790
  143    HB   THR  21           HB       THR  21  13.032  -3.634  -0.950
  144    HG1  THR  21           HG1      THR  21  13.724  -6.376  -1.273
  145   HG21  THR  21          HG21      THR  21  14.978  -5.430   0.514
  146   HG22  THR  21          HG22      THR  21  15.235  -3.821  -0.194
  147   HG23  THR  21          HG23      THR  21  14.268  -3.996   1.275
  148    H    VAL  22           H        VAL  22  10.890  -3.830  -1.579
  149    HA   VAL  22           HA       VAL  22   9.837  -6.256  -2.907
  150    HB   VAL  22           HB       VAL  22   8.248  -3.641  -2.840
  151   HG11  VAL  22          HG11      VAL  22   7.894  -6.333  -4.198
  152   HG12  VAL  22          HG12      VAL  22   6.569  -5.254  -3.995
  153   HG13  VAL  22          HG13      VAL  22   7.950  -4.734  -4.966
  154   HG21  VAL  22          HG21      VAL  22   7.973  -4.800  -0.680
  155   HG22  VAL  22          HG22      VAL  22   6.497  -4.922  -1.637
  156   HG23  VAL  22          HG23      VAL  22   7.589  -6.315  -1.527
  157    H    VAL  23           H        VAL  23  10.397  -6.290  -5.054
  158    HA   VAL  23           HA       VAL  23  11.896  -3.915  -6.043
  159    HB   VAL  23           HB       VAL  23  12.924  -6.100  -6.219
  160   HG11  VAL  23          HG11      VAL  23  10.886  -6.853  -8.266
  161   HG12  VAL  23          HG12      VAL  23  12.484  -7.607  -8.087
  162   HG13  VAL  23          HG13      VAL  23  11.374  -7.667  -6.735
  163   HG21  VAL  23          HG21      VAL  23  13.578  -4.138  -7.621
  164   HG22  VAL  23          HG22      VAL  23  13.892  -5.674  -8.441
  165   HG23  VAL  23          HG23      VAL  23  12.474  -4.705  -8.893
  166    H    ILE  24           H        ILE  24  11.028  -2.444  -7.313
  167    HA   ILE  24           HA       ILE  24   8.480  -3.074  -8.750
  168    HB   ILE  24           HB       ILE  24   9.441  -0.383  -7.681
  169   HG12  ILE  24          HG12      ILE  24   7.044  -1.095  -6.384
  170   HG13  ILE  24          HG13      ILE  24   7.965  -2.565  -6.297
  171   HG21  ILE  24          HG21      ILE  24   6.799  -1.300  -8.906
  172   HG22  ILE  24          HG22      ILE  24   7.142   0.330  -8.271
  173   HG23  ILE  24          HG23      ILE  24   8.005  -0.264  -9.691
  174   HD11  ILE  24          HD11      ILE  24   8.694   0.211  -5.315
  175   HD12  ILE  24          HD12      ILE  24   8.006  -1.107  -4.346
  176   HD13  ILE  24          HD13      ILE  24   9.659  -1.273  -5.027
  177    H    ASP  25           H        ASP  25   8.581  -3.019 -10.909
  178    HA   ASP  25           HA       ASP  25  10.514  -1.271 -12.365
  179    HB2  ASP  25           HB2      ASP  25  11.552  -3.596 -11.958
  180    HB3  ASP  25           HB3      ASP  25  10.160  -4.290 -12.823
  181    H    GLU  26           H        GLU  26   9.962  -0.498 -14.069
  182    HA   GLU  26           HA       GLU  26   7.058  -0.255 -14.321
  183    HB2  GLU  26           HB2      GLU  26   9.505   1.210 -15.430
  184    HB3  GLU  26           HB3      GLU  26   7.830   1.624 -15.782
  185    HG2  GLU  26           HG2      GLU  26   7.394   2.250 -13.598
  186    HG3  GLU  26           HG3      GLU  26   8.921   1.552 -13.002
  187    H    THR  27           H        THR  27   5.770  -0.875 -16.111
  188    HA   THR  27           HA       THR  27   7.158  -0.706 -18.656
  189    HB   THR  27           HB       THR  27   7.649  -3.021 -18.000
  190    HG1  THR  27           HG1      THR  27   7.572  -2.958 -20.076
  191   HG21  THR  27          HG21      THR  27   4.638  -3.453 -17.940
  192   HG22  THR  27          HG22      THR  27   5.869  -4.736 -17.937
  193   HG23  THR  27          HG23      THR  27   5.777  -3.610 -16.584
  194    H    GLU  28           H        GLU  28   5.375  -1.599 -20.432
  195    HA   GLU  28           HA       GLU  28   3.426   0.532 -20.355
  196    HB2  GLU  28           HB2      GLU  28   2.695  -0.255 -22.518
  197    HB3  GLU  28           HB3      GLU  28   4.451  -0.030 -22.424
  198    HG2  GLU  28           HG2      GLU  28   4.923  -2.219 -22.649
  199    HG3  GLU  28           HG3      GLU  28   3.490  -2.795 -21.796
  200    H    GLY  29           H        GLY  29   3.322  -2.544 -19.007
  201    HA2  GLY  29           HA2      GLY  29   0.382  -2.356 -18.595
  202    HA3  GLY  29           HA3      GLY  29   1.338  -3.848 -18.309
  203    H    GLY  30           H        GLY  30   2.834  -1.013 -17.392
  204    HA2  GLY  30           HA2      GLY  30   2.878   0.393 -15.559
  205    HA3  GLY  30           HA3      GLY  30   1.668  -0.596 -14.756
  206    H    LEU  31           H        LEU  31   2.651  -0.379 -12.842
  207    HA   LEU  31           HA       LEU  31   5.417  -1.100 -12.360
  208    HB2  LEU  31           HB2      LEU  31   3.052  -0.751 -10.459
  209    HB3  LEU  31           HB3      LEU  31   4.744  -0.900  -9.958
  210    HG   LEU  31           HG       LEU  31   3.483   1.377 -11.541
  211   HD11  LEU  31          HD11      LEU  31   4.750   1.301  -8.763
  212   HD12  LEU  31          HD12      LEU  31   4.017   2.717  -9.546
  213   HD13  LEU  31          HD13      LEU  31   3.006   1.336  -9.095
  214   HD21  LEU  31          HD21      LEU  31   5.732   1.116 -12.403
  215   HD22  LEU  31          HD22      LEU  31   5.689   2.520 -11.328
  216   HD23  LEU  31          HD23      LEU  31   6.389   0.996 -10.755
  217    H    LYS  32           H        LYS  32   6.048  -3.121 -12.847
  218    HA   LYS  32           HA       LYS  32   4.618  -5.484 -11.863
  219    HB2  LYS  32           HB2      LYS  32   6.389  -5.142 -13.940
  220    HB3  LYS  32           HB3      LYS  32   7.490  -5.715 -12.684
  221    HG2  LYS  32           HG2      LYS  32   5.713  -7.598 -12.278
  222    HG3  LYS  32           HG3      LYS  32   4.978  -7.009 -13.777
  223    HD2  LYS  32           HD2      LYS  32   6.214  -8.892 -14.371
  224    HD3  LYS  32           HD3      LYS  32   7.133  -7.512 -14.976
  225    HE2  LYS  32           HE2      LYS  32   8.751  -7.721 -13.160
  226    HE3  LYS  32           HE3      LYS  32   7.729  -8.906 -12.315
  227    HZ1  LYS  32           HZ1      LYS  32   8.749  -9.465 -15.035
  228    HZ2  LYS  32           HZ2      LYS  32   9.676  -9.778 -13.746
  229    HZ3  LYS  32           HZ3      LYS  32   8.212 -10.535 -13.915
  230    H    PHE  33           H        PHE  33   4.626  -5.973  -9.797
  231    HA   PHE  33           HA       PHE  33   6.653  -4.946  -7.916
  232    HB2  PHE  33           HB2      PHE  33   4.139  -4.303  -8.084
  233    HB3  PHE  33           HB3      PHE  33   3.782  -5.947  -7.552
  234    HD1  PHE  33           HD1      PHE  33   5.710  -2.929  -6.677
  235    HD2  PHE  33           HD2      PHE  33   3.485  -6.287  -5.247
  236    HE1  PHE  33           HE1      PHE  33   5.829  -1.990  -4.340
  237    HE2  PHE  33           HE2      PHE  33   3.515  -5.342  -2.937
  238    HZ   PHE  33           HZ       PHE  33   4.699  -3.199  -2.483
  239    H    THR  34           H        THR  34   8.166  -6.578  -7.272
  240    HA   THR  34           HA       THR  34   7.044  -9.349  -6.931
  241    HB   THR  34           HB       THR  34   9.896  -8.760  -7.678
  242    HG1  THR  34           HG1      THR  34   8.635  -8.117  -9.351
  243   HG21  THR  34          HG21      THR  34   8.182 -11.268  -7.678
  244   HG22  THR  34          HG22      THR  34   9.805 -11.135  -8.385
  245   HG23  THR  34          HG23      THR  34   9.578 -10.928  -6.635
  246    HA   PRO  35           HA       PRO  35   8.414  -8.046  -2.799
  247    HB2  PRO  35           HB2      PRO  35   6.824  -9.663  -1.300
  248    HB3  PRO  35           HB3      PRO  35   6.161  -8.255  -2.189
  249    HG2  PRO  35           HG2      PRO  35   6.190 -11.165  -3.036
  250    HG3  PRO  35           HG3      PRO  35   4.804 -10.026  -3.057
  251    HD2  PRO  35           HD2      PRO  35   6.344 -10.562  -5.256
  252    HD3  PRO  35           HD3      PRO  35   5.607  -8.951  -4.979
  253    H    HIS  36           H        HIS  36   9.501  -9.108  -1.000
  254    HA   HIS  36           HA       HIS  36  10.158 -11.940  -1.255
  255    HB2  HIS  36           HB2      HIS  36  12.417 -11.874  -1.757
  256    HB3  HIS  36           HB3      HIS  36  11.743 -10.667  -2.847
  257    HD1  HIS  36           HD1      HIS  36  14.598 -11.072  -0.712
  258    HD2  HIS  36           HD2      HIS  36  11.989  -7.988  -1.757
  259    HE1  HIS  36           HE1      HIS  36  15.803  -8.906  -0.036
  260    H    LEU  37           H        LEU  37   8.743 -10.498   0.691
  261    HA   LEU  37           HA       LEU  37  10.602 -10.097   2.979
  262    HB2  LEU  37           HB2      LEU  37   7.617  -9.543   2.947
  263    HB3  LEU  37           HB3      LEU  37   8.839  -9.048   4.135
  264    HG   LEU  37           HG       LEU  37   9.820  -7.921   1.788
  265   HD11  LEU  37          HD11      LEU  37   6.774  -7.656   1.778
  266   HD12  LEU  37          HD12      LEU  37   7.901  -6.717   0.787
  267   HD13  LEU  37          HD13      LEU  37   7.761  -8.466   0.540
  268   HD21  LEU  37          HD21      LEU  37   9.728  -6.878   3.993
  269   HD22  LEU  37          HD22      LEU  37   9.077  -5.805   2.747
  270   HD23  LEU  37          HD23      LEU  37   7.966  -6.664   3.847
  271    H    LYS  38           H        LYS  38  10.706 -11.375   4.679
  272    HA   LYS  38           HA       LYS  38   9.462 -14.018   4.207
  273    HB2  LYS  38           HB2      LYS  38  11.506 -14.959   4.996
  274    HB3  LYS  38           HB3      LYS  38  11.856 -13.671   3.854
  275    HG2  LYS  38           HG2      LYS  38  12.047 -12.181   6.098
  276    HG3  LYS  38           HG3      LYS  38  12.266 -13.775   6.854
  277    HD2  LYS  38           HD2      LYS  38  14.433 -12.968   6.369
  278    HD3  LYS  38           HD3      LYS  38  14.117 -14.198   5.134
  279    HE2  LYS  38           HE2      LYS  38  13.443 -12.372   3.538
  280    HE3  LYS  38           HE3      LYS  38  13.743 -11.179   4.804
  281    HZ1  LYS  38           HZ1      LYS  38  15.791 -12.982   3.631
  282    HZ2  LYS  38           HZ2      LYS  38  15.659 -11.374   3.331
  283    HZ3  LYS  38           HZ3      LYS  38  16.072 -11.892   4.838
  284    H    ALA  39           H        ALA  39   8.219 -12.010   6.037
  285    HA   ALA  39           HA       ALA  39   7.458 -13.837   8.181
  286    HB1  ALA  39           HB1      ALA  39   9.164 -11.393   8.841
  287    HB2  ALA  39           HB2      ALA  39   8.301 -12.392  10.029
  288    HB3  ALA  39           HB3      ALA  39   9.617 -13.092   9.071
  289    H    LEU  40           H        LEU  40   5.467 -13.370   6.939
  290    HA   LEU  40           HA       LEU  40   4.005 -11.222   8.312
  291    HB2  LEU  40           HB2      LEU  40   3.010 -11.517   5.523
  292    HB3  LEU  40           HB3      LEU  40   3.102 -10.172   6.598
  293    HG   LEU  40           HG       LEU  40   5.639 -10.031   5.934
  294   HD11  LEU  40          HD11      LEU  40   4.637 -12.015   3.847
  295   HD12  LEU  40          HD12      LEU  40   6.083 -11.019   3.641
  296   HD13  LEU  40          HD13      LEU  40   6.030 -12.217   4.922
  297   HD21  LEU  40          HD21      LEU  40   3.862  -8.507   5.059
  298   HD22  LEU  40          HD22      LEU  40   5.093  -8.855   3.837
  299   HD23  LEU  40          HD23      LEU  40   3.516  -9.672   3.765
  300    HA   PRO  41           HA       PRO  41   1.068 -14.354   8.703
  301    HB2  PRO  41           HB2      PRO  41  -1.414 -13.080   8.544
  302    HB3  PRO  41           HB3      PRO  41  -0.353 -13.094   9.978
  303    HG2  PRO  41           HG2      PRO  41  -0.541 -11.019   7.829
  304    HG3  PRO  41           HG3      PRO  41  -0.545 -10.773   9.607
  305    HD2  PRO  41           HD2      PRO  41   1.754 -10.450   8.277
  306    HD3  PRO  41           HD3      PRO  41   1.692 -11.429   9.787
  307    HA   PRO  42           HA       PRO  42   1.154 -15.495   4.663
  308    HB2  PRO  42           HB2      PRO  42   0.751 -18.124   4.848
  309    HB3  PRO  42           HB3      PRO  42   1.807 -17.306   6.014
  310    HG2  PRO  42           HG2      PRO  42  -1.126 -17.905   6.406
  311    HG3  PRO  42           HG3      PRO  42   0.238 -18.466   7.427
  312    HD2  PRO  42           HD2      PRO  42  -1.081 -16.112   7.983
  313    HD3  PRO  42           HD3      PRO  42   0.684 -16.316   8.243
  314    H    GLY  43           H        GLY  43  -1.328 -14.176   4.962
  315    HA2  GLY  43           HA2      GLY  43  -3.379 -15.711   3.424
  316    HA3  GLY  43           HA3      GLY  43  -3.653 -14.272   4.428
  317    H    GLU  44           H        GLU  44  -4.540 -12.951   3.131
  318    HA   GLU  44           HA       GLU  44  -3.143 -11.968   0.690
  319    HB2  GLU  44           HB2      GLU  44  -6.148 -12.328   0.969
  320    HB3  GLU  44           HB3      GLU  44  -5.308 -11.658  -0.427
  321    HG2  GLU  44           HG2      GLU  44  -4.290 -13.798  -0.950
  322    HG3  GLU  44           HG3      GLU  44  -4.913 -14.525   0.546
  323    H    HIS  45           H        HIS  45  -2.862  -9.892   0.753
  324    HA   HIS  45           HA       HIS  45  -4.274  -8.165   2.780
  325    HB2  HIS  45           HB2      HIS  45  -1.374  -8.647   1.999
  326    HB3  HIS  45           HB3      HIS  45  -1.808  -7.167   2.825
  327    HD1  HIS  45           HD1      HIS  45  -3.711  -8.249   5.163
  328    HD2  HIS  45           HD2      HIS  45  -0.603 -10.470   3.448
  329    HE1  HIS  45           HE1      HIS  45  -3.192 -10.154   6.817
  330    HE2  HIS  45           HE2      HIS  45  -1.252 -11.512   5.773
  331    H    GLY  46           H        GLY  46  -4.663  -5.959   2.269
  332    HA2  GLY  46           HA2      GLY  46  -4.856  -5.194  -0.451
  333    HA3  GLY  46           HA3      GLY  46  -4.969  -4.110   0.951
  334    H    PHE  47           H        PHE  47  -3.554  -3.725  -1.707
  335    HA   PHE  47           HA       PHE  47  -0.917  -2.835  -0.572
  336    HB2  PHE  47           HB2      PHE  47  -0.510  -4.661  -1.978
  337    HB3  PHE  47           HB3      PHE  47  -1.692  -4.142  -3.174
  338    HD1  PHE  47           HD1      PHE  47   1.053  -1.900  -1.853
  339    HD2  PHE  47           HD2      PHE  47  -0.149  -4.690  -4.890
  340    HE1  PHE  47           HE1      PHE  47   2.892  -1.080  -3.370
  341    HE2  PHE  47           HE2      PHE  47   1.548  -3.724  -6.462
  342    HZ   PHE  47           HZ       PHE  47   3.005  -1.872  -5.703
  343    H    HIS  48           H        HIS  48  -1.300  -0.647  -0.175
  344    HA   HIS  48           HA       HIS  48  -2.529   0.911  -2.459
  345    HB2  HIS  48           HB2      HIS  48  -2.422   1.727   0.453
  346    HB3  HIS  48           HB3      HIS  48  -3.054   2.699  -0.866
  347    HD2  HIS  48           HD2      HIS  48  -4.704  -0.075  -2.069
  348    HE1  HIS  48           HE1      HIS  48  -7.059   0.612   1.384
  349    HE2  HIS  48           HE2      HIS  48  -6.910  -0.570  -0.918
  350    H    ILE  49           H        ILE  49  -1.776   2.941  -2.933
  351    HA   ILE  49           HA       ILE  49   0.895   3.808  -1.895
  352    HB   ILE  49           HB       ILE  49  -0.415   4.304  -4.588
  353   HG12  ILE  49          HG12      ILE  49   2.317   3.225  -3.727
  354   HG13  ILE  49          HG13      ILE  49   0.952   2.223  -4.257
  355   HG21  ILE  49          HG21      ILE  49   2.013   5.747  -3.418
  356   HG22  ILE  49          HG22      ILE  49   1.442   5.873  -5.094
  357   HG23  ILE  49          HG23      ILE  49   0.436   6.489  -3.796
  358   HD11  ILE  49          HD11      ILE  49   2.647   4.070  -5.923
  359   HD12  ILE  49          HD12      ILE  49   2.367   2.338  -6.118
  360   HD13  ILE  49          HD13      ILE  49   1.054   3.480  -6.482
  361    H    HIS  50           H        HIS  50   0.992   6.048  -1.363
  362    HA   HIS  50           HA       HIS  50  -1.577   7.277  -0.626
  363    HB2  HIS  50           HB2      HIS  50   0.404   6.131   1.333
  364    HB3  HIS  50           HB3      HIS  50  -0.346   7.666   1.713
  365    HD1  HIS  50           HD1      HIS  50  -2.627   7.614   2.810
  366    HD2  HIS  50           HD2      HIS  50  -1.598   4.050   0.875
  367    HE1  HIS  50           HE1      HIS  50  -4.426   5.902   3.503
  368    H    ALA  51           H        ALA  51  -1.379   9.532  -0.204
  369    HA   ALA  51           HA       ALA  51  -0.107  10.423  -2.490
  370    HB1  ALA  51           HB1      ALA  51  -1.300  12.142  -0.277
  371    HB2  ALA  51           HB2      ALA  51  -1.094  12.585  -1.980
  372    HB3  ALA  51           HB3      ALA  51  -2.228  11.298  -1.539
  373    H    ASN  52           H        ASN  52   1.210  10.761   0.764
  374    HA   ASN  52           HA       ASN  52   3.668  11.954  -0.492
  375    HB2  ASN  52           HB2      ASN  52   2.325  12.685   2.124
  376    HB3  ASN  52           HB3      ASN  52   4.021  13.055   1.797
  377   HD21  ASN  52          HD21      ASN  52   0.718  13.560   0.488
  378   HD22  ASN  52          HD22      ASN  52   1.120  15.033  -0.372
  379    H    GLY  53           H        GLY  53   5.676  11.341   0.368
  380    HA2  GLY  53           HA2      GLY  53   5.791   8.590   1.346
  381    HA3  GLY  53           HA3      GLY  53   7.138   9.610   0.799
  382    H    SER  54           H        SER  54   4.962   8.954   3.544
  383    HA   SER  54           HA       SER  54   7.167   9.114   5.428
  384    HB2  SER  54           HB2      SER  54   6.811  11.520   5.088
  385    HB3  SER  54           HB3      SER  54   5.107  11.335   5.502
  386    HG   SER  54           HG       SER  54   7.287  10.709   7.263
  387    H    CYS  55           H        CYS  55   6.478   7.006   5.987
  388    HA   CYS  55           HA       CYS  55   4.023   6.251   7.048
  389    HB2  CYS  55           HB2      CYS  55   6.717   5.144   7.859
  390    HB3  CYS  55           HB3      CYS  55   5.205   4.290   7.654
  391    H    GLN  56           H        GLN  56   4.278   8.686   8.340
  392    HA   GLN  56           HA       GLN  56   5.208   8.109  11.130
  393    HB2  GLN  56           HB2      GLN  56   5.509  10.563   9.390
  394    HB3  GLN  56           HB3      GLN  56   5.579  10.654  11.135
  395    HG2  GLN  56           HG2      GLN  56   7.811  10.552  10.447
  396    HG3  GLN  56           HG3      GLN  56   7.450   9.001  11.175
  397   HE21  GLN  56          HE21      GLN  56   7.380   7.057   9.668
  398   HE22  GLN  56          HE22      GLN  56   8.242   7.216   8.154
  399    HA   PRO  57           HA       PRO  57   0.943   8.799  12.027
  400    HB2  PRO  57           HB2      PRO  57   0.907   8.298  14.726
  401    HB3  PRO  57           HB3      PRO  57   1.303   7.048  13.533
  402    HG2  PRO  57           HG2      PRO  57   3.233   8.753  15.110
  403    HG3  PRO  57           HG3      PRO  57   3.200   6.966  14.917
  404    HD2  PRO  57           HD2      PRO  57   4.792   8.544  13.363
  405    HD3  PRO  57           HD3      PRO  57   3.977   7.091  12.703
  406    H    ALA  58           H        ALA  58  -0.494   9.804  13.713
  407    HA   ALA  58           HA       ALA  58   0.492  12.004  15.309
  408    HB1  ALA  58           HB1      ALA  58  -1.800  12.435  13.338
  409    HB2  ALA  58           HB2      ALA  58  -1.216  13.609  14.532
  410    HB3  ALA  58           HB3      ALA  58  -0.176  13.139  13.180
  411    H    ILE  59           H        ILE  59  -1.510  12.774  16.697
  412    HA   ILE  59           HA       ILE  59  -3.302  10.470  17.392
  413    HB   ILE  59           HB       ILE  59  -2.316  12.680  19.238
  414   HG12  ILE  59          HG12      ILE  59  -0.427  11.219  18.870
  415   HG13  ILE  59          HG13      ILE  59  -1.069  10.971  20.480
  416   HG21  ILE  59          HG21      ILE  59  -4.072  10.240  19.752
  417   HG22  ILE  59          HG22      ILE  59  -3.383  11.276  21.020
  418   HG23  ILE  59          HG23      ILE  59  -4.535  11.950  19.869
  419   HD11  ILE  59          HD11      ILE  59  -1.473   9.115  18.093
  420   HD12  ILE  59          HD12      ILE  59  -0.426   8.842  19.492
  421   HD13  ILE  59          HD13      ILE  59  -2.183   8.864  19.708
  422    H    LYS  60           H        LYS  60  -5.418  10.884  17.275
  423    HA   LYS  60           HA       LYS  60  -6.524  13.602  17.374
  424    HB2  LYS  60           HB2      LYS  60  -6.616  11.863  14.864
  425    HB3  LYS  60           HB3      LYS  60  -7.913  12.998  15.243
  426    HG2  LYS  60           HG2      LYS  60  -6.310  14.874  15.285
  427    HG3  LYS  60           HG3      LYS  60  -5.001  13.761  14.826
  428    HD2  LYS  60           HD2      LYS  60  -5.985  13.298  12.693
  429    HD3  LYS  60           HD3      LYS  60  -7.505  14.084  13.141
  430    HE2  LYS  60           HE2      LYS  60  -6.175  15.490  11.633
  431    HE3  LYS  60           HE3      LYS  60  -6.453  16.275  13.196
  432    HZ1  LYS  60           HZ1      LYS  60  -3.967  14.855  12.424
  433    HZ2  LYS  60           HZ2      LYS  60  -4.151  16.477  12.400
  434    HZ3  LYS  60           HZ3      LYS  60  -4.207  15.667  13.838
  435    H    ASP  61           H        ASP  61  -8.615  13.570  18.175
  436    HA   ASP  61           HA       ASP  61 -10.611  12.845  18.940
  437    HB2  ASP  61           HB2      ASP  61 -10.565  12.537  16.367
  438    HB3  ASP  61           HB3      ASP  61 -10.517  10.807  16.690
  439    H    GLY  62           H        GLY  62  -8.363  11.455  20.246
  440    HA2  GLY  62           HA2      GLY  62  -8.208   9.883  21.951
  441    HA3  GLY  62           HA3      GLY  62  -9.817   9.256  21.526
  442    H    GLN  63           H        GLN  63  -7.523   9.353  18.898
  443    HA   GLN  63           HA       GLN  63  -6.543   6.615  19.354
  444    HB2  GLN  63           HB2      GLN  63  -7.451   5.822  17.159
  445    HB3  GLN  63           HB3      GLN  63  -8.615   6.080  18.436
  446    HG2  GLN  63           HG2      GLN  63  -9.754   6.860  16.623
  447    HG3  GLN  63           HG3      GLN  63  -9.158   8.358  17.297
  448   HE21  GLN  63          HE21      GLN  63  -7.141   9.299  16.155
  449   HE22  GLN  63          HE22      GLN  63  -6.981   8.915  14.432
  450    H    ALA  64           H        ALA  64  -5.032   5.848  17.575
  451    HA   ALA  64           HA       ALA  64  -3.243   8.118  16.883
  452    HB1  ALA  64           HB1      ALA  64  -2.667   5.153  17.288
  453    HB2  ALA  64           HB2      ALA  64  -1.464   6.415  16.947
  454    HB3  ALA  64           HB3      ALA  64  -2.366   6.443  18.474
  455    H    VAL  65           H        VAL  65  -2.854   8.588  14.848
  456    HA   VAL  65           HA       VAL  65  -4.491   7.438  12.806
  457    HB   VAL  65           HB       VAL  65  -2.334   9.572  12.641
  458   HG11  VAL  65          HG11      VAL  65  -4.545   8.883  10.653
  459   HG12  VAL  65          HG12      VAL  65  -3.669  10.426  10.654
  460   HG13  VAL  65          HG13      VAL  65  -2.790   8.934  10.355
  461   HG21  VAL  65          HG21      VAL  65  -4.163  10.146  14.242
  462   HG22  VAL  65          HG22      VAL  65  -4.233  11.168  12.812
  463   HG23  VAL  65          HG23      VAL  65  -5.365   9.811  12.985
  464    H    ALA  66           H        ALA  66  -1.364   6.502  13.734
  465    HA   ALA  66           HA       ALA  66   0.218   5.050  13.007
  466    HB1  ALA  66           HB1      ALA  66  -1.716   4.229  10.807
  467    HB2  ALA  66           HB2      ALA  66  -0.342   3.317  11.456
  468    HB3  ALA  66           HB3      ALA  66  -1.758   3.627  12.481
  469    H    ALA  67           H        ALA  67  -1.139   6.654  10.115
  470    HA   ALA  67           HA       ALA  67   1.459   7.939   9.723
  471    HB1  ALA  67           HB1      ALA  67   0.262   6.279   7.485
  472    HB2  ALA  67           HB2      ALA  67   1.707   7.316   7.394
  473    HB3  ALA  67           HB3      ALA  67   1.723   5.875   8.416
  474    H    GLU  68           H        GLU  68   0.795   9.991   9.864
  475    HA   GLU  68           HA       GLU  68  -1.750  10.894   8.563
  476    HB2  GLU  68           HB2      GLU  68  -1.522  11.487  10.907
  477    HB3  GLU  68           HB3      GLU  68   0.060  12.221  10.632
  478    HG2  GLU  68           HG2      GLU  68  -0.848  14.055   9.434
  479    HG3  GLU  68           HG3      GLU  68  -2.357  13.206   9.094
  480    H    ALA  69           H        ALA  69   1.772  11.599   8.737
  481    HA   ALA  69           HA       ALA  69   1.792  13.615   6.701
  482    HB1  ALA  69           HB1      ALA  69   3.965  11.782   7.805
  483    HB2  ALA  69           HB2      ALA  69   4.244  13.250   6.846
  484    HB3  ALA  69           HB3      ALA  69   3.508  13.375   8.453
  485    H    ALA  70           H        ALA  70   1.288  10.272   6.368
  486    HA   ALA  70           HA       ALA  70   2.467   9.915   3.756
  487    HB1  ALA  70           HB1      ALA  70   0.366   8.314   5.276
  488    HB2  ALA  70           HB2      ALA  70   1.184   7.793   3.783
  489    HB3  ALA  70           HB3      ALA  70   2.129   8.026   5.255
  490    H    GLY  71           H        GLY  71  -0.478  11.516   4.712
  491    HA2  GLY  71           HA2      GLY  71  -1.975  12.609   3.251
  492    HA3  GLY  71           HA3      GLY  71  -1.163  11.876   1.888
  493    H    GLY  72           H        GLY  72  -3.593  11.919   1.334
  494    HA2  GLY  72           HA2      GLY  72  -5.293   9.775   2.303
  495    HA3  GLY  72           HA3      GLY  72  -5.550  10.785   0.870
  496    H    HIS  73           H        HIS  73  -6.375   8.668   0.111
  497    HA   HIS  73           HA       HIS  73  -4.646   6.413  -0.541
  498    HB2  HIS  73           HB2      HIS  73  -7.499   7.264  -0.982
  499    HB3  HIS  73           HB3      HIS  73  -6.855   6.180  -2.184
  500    HD2  HIS  73           HD2      HIS  73  -5.949   5.778   1.538
  501    HE1  HIS  73           HE1      HIS  73  -8.456   2.500   0.536
  502    HE2  HIS  73           HE2      HIS  73  -6.956   3.526   2.330
  503    H    LEU  74           H        LEU  74  -4.153   9.323  -1.678
  504    HA   LEU  74           HA       LEU  74  -3.576  10.431  -3.550
  505    HB2  LEU  74           HB2      LEU  74  -1.855   8.732  -3.758
  506    HB3  LEU  74           HB3      LEU  74  -2.916   7.652  -4.627
  507    HG   LEU  74           HG       LEU  74  -3.038   9.272  -6.513
  508   HD11  LEU  74          HD11      LEU  74  -1.090  10.905  -4.823
  509   HD12  LEU  74          HD12      LEU  74  -1.389  11.172  -6.555
  510   HD13  LEU  74          HD13      LEU  74  -2.696  11.410  -5.394
  511   HD21  LEU  74          HD21      LEU  74  -1.346   7.483  -6.494
  512   HD22  LEU  74          HD22      LEU  74  -0.694   8.936  -7.269
  513   HD23  LEU  74          HD23      LEU  74  -0.219   8.526  -5.606
  514    H    ASP  75           H        ASP  75  -5.509  11.268  -3.625
  515    HA   ASP  75           HA       ASP  75  -7.778  10.029  -5.053
  516    HB2  ASP  75           HB2      ASP  75  -8.877   9.776  -2.862
  517    HB3  ASP  75           HB3      ASP  75  -7.382   8.872  -2.925
  518    HA   PRO  76           HA       PRO  76  -8.070  14.545  -3.343
  519    HB2  PRO  76           HB2      PRO  76  -7.212  16.370  -5.194
  520    HB3  PRO  76           HB3      PRO  76  -6.104  15.487  -4.105
  521    HG2  PRO  76           HG2      PRO  76  -6.844  14.735  -6.956
  522    HG3  PRO  76           HG3      PRO  76  -5.201  14.943  -6.257
  523    HD2  PRO  76           HD2      PRO  76  -6.313  12.485  -6.387
  524    HD3  PRO  76           HD3      PRO  76  -5.421  13.007  -4.922
  525    H    GLN  77           H        GLN  77  -9.050  13.689  -6.686
  526    HA   GLN  77           HA       GLN  77 -11.538  15.329  -6.377
  527    HB2  GLN  77           HB2      GLN  77  -9.636  15.442  -8.764
  528    HB3  GLN  77           HB3      GLN  77 -11.204  16.247  -8.645
  529    HG2  GLN  77           HG2      GLN  77 -10.337  17.530  -6.650
  530    HG3  GLN  77           HG3      GLN  77  -8.735  16.858  -6.981
  531   HE21  GLN  77          HE21      GLN  77  -7.791  17.338  -9.254
  532   HE22  GLN  77          HE22      GLN  77  -8.164  18.937  -9.848
  533    H    ASN  78           H        ASN  78 -10.571  12.310  -6.732
  534    HA   ASN  78           HA       ASN  78 -11.639  11.558  -9.297
  535    HB2  ASN  78           HB2      ASN  78 -10.755   9.858  -6.931
  536    HB3  ASN  78           HB3      ASN  78 -10.894   9.325  -8.606
  537   HD21  ASN  78          HD21      ASN  78  -9.138   9.712 -10.012
  538   HD22  ASN  78          HD22      ASN  78  -7.683  10.564  -9.488
  539    H    THR  79           H        THR  79 -12.728  11.093  -6.005
  540    HA   THR  79           HA       THR  79 -15.378  11.133  -5.871
  541    HB   THR  79           HB       THR  79 -15.678   9.466  -7.658
  542    HG1  THR  79           HG1      THR  79 -17.155   8.305  -6.517
  543   HG21  THR  79          HG21      THR  79 -14.497   7.464  -5.685
  544   HG22  THR  79          HG22      THR  79 -15.187   7.128  -7.283
  545   HG23  THR  79          HG23      THR  79 -13.663   8.016  -7.159
  546    H    GLY  80           H        GLY  80 -16.175  10.013  -3.880
  547    HA2  GLY  80           HA2      GLY  80 -14.021  10.308  -1.876
  548    HA3  GLY  80           HA3      GLY  80 -15.772  10.204  -1.563
  549    H    LYS  81           H        LYS  81 -16.201   7.713  -2.948
  550    HA   LYS  81           HA       LYS  81 -15.526   5.969  -0.716
  551    HB2  LYS  81           HB2      LYS  81 -17.142   4.481  -1.600
  552    HB3  LYS  81           HB3      LYS  81 -17.759   6.127  -1.640
  553    HG2  LYS  81           HG2      LYS  81 -16.950   6.103  -4.163
  554    HG3  LYS  81           HG3      LYS  81 -16.941   4.346  -3.950
  555    HD2  LYS  81           HD2      LYS  81 -19.284   6.261  -3.581
  556    HD3  LYS  81           HD3      LYS  81 -19.097   5.078  -4.875
  557    HE2  LYS  81           HE2      LYS  81 -19.296   3.219  -3.276
  558    HE3  LYS  81           HE3      LYS  81 -19.327   4.357  -1.920
  559    HZ1  LYS  81           HZ1      LYS  81 -21.412   4.089  -3.999
  560    HZ2  LYS  81           HZ2      LYS  81 -21.518   3.660  -2.437
  561    HZ3  LYS  81           HZ3      LYS  81 -21.399   5.264  -2.824
  562    H    HIS  82           H        HIS  82 -15.143   3.498  -1.399
  563    HA   HIS  82           HA       HIS  82 -12.590   3.477  -2.977
  564    HB2  HIS  82           HB2      HIS  82 -12.169   3.606  -0.554
  565    HB3  HIS  82           HB3      HIS  82 -13.205   2.217  -0.283
  566    HD2  HIS  82           HD2      HIS  82 -12.220  -0.135  -0.545
  567    HE1  HIS  82           HE1      HIS  82  -8.431   0.708  -2.205
  568    HE2  HIS  82           HE2      HIS  82  -9.950  -1.104  -1.361
  569    H    GLU  83           H        GLU  83 -11.910   1.355  -3.764
  570    HA   GLU  83           HA       GLU  83 -13.917  -0.721  -4.014
  571    HB2  GLU  83           HB2      GLU  83 -14.131  -0.591  -6.461
  572    HB3  GLU  83           HB3      GLU  83 -14.854   0.700  -5.556
  573    HG2  GLU  83           HG2      GLU  83 -14.046   1.778  -7.340
  574    HG3  GLU  83           HG3      GLU  83 -12.833   2.153  -6.114
  575    H    GLY  84           H        GLY  84 -11.892  -0.812  -6.683
  576    HA2  GLY  84           HA2      GLY  84  -9.530  -1.912  -6.304
  577    HA3  GLY  84           HA3      GLY  84 -10.546  -3.220  -5.707
  578    HA   PRO  85           HA       PRO  85 -11.276  -4.456  -9.804
  579    HB2  PRO  85           HB2      PRO  85 -13.764  -5.473  -9.926
  580    HB3  PRO  85           HB3      PRO  85 -12.664  -5.920  -8.588
  581    HG2  PRO  85           HG2      PRO  85 -14.827  -3.785  -8.562
  582    HG3  PRO  85           HG3      PRO  85 -14.579  -5.122  -7.391
  583    HD2  PRO  85           HD2      PRO  85 -13.581  -2.594  -7.018
  584    HD3  PRO  85           HD3      PRO  85 -12.746  -4.052  -6.416
  585    H    GLU  86           H        GLU  86 -13.069  -1.435  -9.550
  586    HA   GLU  86           HA       GLU  86 -13.914  -1.680 -12.393
  587    HB2  GLU  86           HB2      GLU  86 -16.193  -1.551 -12.069
  588    HB3  GLU  86           HB3      GLU  86 -15.657  -2.719 -10.885
  589    HG2  GLU  86           HG2      GLU  86 -17.034  -1.547  -9.522
  590    HG3  GLU  86           HG3      GLU  86 -15.621  -0.521  -9.291
  591    H    GLY  87           H        GLY  87 -12.973   0.489  -9.883
  592    HA2  GLY  87           HA2      GLY  87 -11.847   2.410 -10.613
  593    HA3  GLY  87           HA3      GLY  87 -12.974   2.604 -11.967
  594    H    GLN  88           H        GLN  88 -15.167   2.315  -9.580
  595    HA   GLN  88           HA       GLN  88 -15.382   5.114  -8.952
  596    HB2  GLN  88           HB2      GLN  88 -17.276   3.431  -9.112
  597    HB3  GLN  88           HB3      GLN  88 -16.757   2.756  -7.590
  598    HG2  GLN  88           HG2      GLN  88 -18.707   4.232  -7.394
  599    HG3  GLN  88           HG3      GLN  88 -17.358   4.855  -6.455
  600   HE21  GLN  88          HE21      GLN  88 -17.736   5.280 -10.042
  601   HE22  GLN  88          HE22      GLN  88 -17.944   7.022  -9.890
  602    H    GLY  89           H        GLY  89 -12.856   4.890  -8.168
  603    HA2  GLY  89           HA2      GLY  89 -12.957   5.866  -5.495
  604    HA3  GLY  89           HA3      GLY  89 -12.416   4.223  -5.411
  605    H    HIS  90           H        HIS  90 -11.512   7.410  -5.843
  606    HA   HIS  90           HA       HIS  90  -9.445   8.423  -5.809
  607    HB2  HIS  90           HB2      HIS  90  -8.478   5.709  -4.895
  608    HB3  HIS  90           HB3      HIS  90  -7.862   7.278  -4.419
  609    HD2  HIS  90           HD2      HIS  90 -10.714   8.647  -3.663
  610    HE1  HIS  90           HE1      HIS  90 -11.221   5.539  -0.837
  611    HE2  HIS  90           HE2      HIS  90 -12.014   7.829  -1.599
  612    H    LEU  91           H        LEU  91  -6.782   7.078  -6.207
  613    HA   LEU  91           HA       LEU  91  -7.126   5.418  -8.583
  614    HB2  LEU  91           HB2      LEU  91  -5.576   6.432 -10.034
  615    HB3  LEU  91           HB3      LEU  91  -6.721   7.650  -9.535
  616    HG   LEU  91           HG       LEU  91  -4.803   8.228  -7.734
  617   HD11  LEU  91          HD11      LEU  91  -3.253   7.025 -10.080
  618   HD12  LEU  91          HD12      LEU  91  -2.554   8.028  -8.799
  619   HD13  LEU  91          HD13      LEU  91  -3.216   6.440  -8.407
  620   HD21  LEU  91          HD21      LEU  91  -5.726   9.791  -9.382
  621   HD22  LEU  91          HD22      LEU  91  -3.965   9.932  -9.313
  622   HD23  LEU  91          HD23      LEU  91  -4.729   9.061 -10.662
  623    H    GLY  92           H        GLY  92  -5.104   6.395  -5.848
  624    HA2  GLY  92           HA2      GLY  92  -2.979   4.527  -6.399
  625    HA3  GLY  92           HA3      GLY  92  -3.214   5.489  -4.923
  626    H    ASP  93           H        ASP  93  -5.599   3.158  -6.077
  627    HA   ASP  93           HA       ASP  93  -4.999   1.365  -3.771
  628    HB2  ASP  93           HB2      ASP  93  -7.502   1.576  -5.482
  629    HB3  ASP  93           HB3      ASP  93  -7.283   0.544  -4.080
  630    H    LEU  94           H        LEU  94  -4.350  -0.796  -4.193
  631    HA   LEU  94           HA       LEU  94  -3.941  -1.573  -7.032
  632    HB2  LEU  94           HB2      LEU  94  -1.778  -1.821  -4.885
  633    HB3  LEU  94           HB3      LEU  94  -1.635  -2.183  -6.550
  634    HG   LEU  94           HG       LEU  94  -2.224   0.403  -6.883
  635   HD11  LEU  94          HD11      LEU  94  -0.893   0.387  -4.164
  636   HD12  LEU  94          HD12      LEU  94  -1.199   1.811  -5.198
  637   HD13  LEU  94          HD13      LEU  94  -2.548   0.915  -4.519
  638   HD21  LEU  94          HD21      LEU  94  -0.031  -0.796  -7.483
  639   HD22  LEU  94          HD22      LEU  94   0.144   0.899  -7.014
  640   HD23  LEU  94          HD23      LEU  94   0.539  -0.390  -5.863
  641    HA   PRO  95           HA       PRO  95  -5.702  -5.342  -5.954
  642    HB2  PRO  95           HB2      PRO  95  -4.441  -7.261  -7.448
  643    HB3  PRO  95           HB3      PRO  95  -5.418  -5.950  -8.182
  644    HG2  PRO  95           HG2      PRO  95  -2.413  -6.014  -7.806
  645    HG3  PRO  95           HG3      PRO  95  -3.336  -5.636  -9.299
  646    HD2  PRO  95           HD2      PRO  95  -2.402  -3.703  -7.658
  647    HD3  PRO  95           HD3      PRO  95  -3.998  -3.519  -8.457
  648    H    VAL  96           H        VAL  96  -5.566  -7.360  -4.783
  649    HA   VAL  96           HA       VAL  96  -4.036  -6.852  -2.526
  650    HB   VAL  96           HB       VAL  96  -4.635  -9.059  -1.592
  651   HG11  VAL  96          HG11      VAL  96  -6.936  -7.523  -2.841
  652   HG12  VAL  96          HG12      VAL  96  -7.015  -8.588  -1.426
  653   HG13  VAL  96          HG13      VAL  96  -6.068  -7.094  -1.356
  654   HG21  VAL  96          HG21      VAL  96  -4.657 -10.532  -3.488
  655   HG22  VAL  96          HG22      VAL  96  -6.278 -10.478  -2.792
  656   HG23  VAL  96          HG23      VAL  96  -5.923  -9.585  -4.289
  657    H    LEU  97           H        LEU  97  -2.275  -7.355  -1.651
  658    HA   LEU  97           HA       LEU  97  -0.105  -8.748  -2.992
  659    HB2  LEU  97           HB2      LEU  97  -0.287  -6.626  -1.224
  660    HB3  LEU  97           HB3      LEU  97   0.061  -7.892  -0.112
  661    HG   LEU  97           HG       LEU  97   1.712  -7.209  -2.601
  662   HD11  LEU  97          HD11      LEU  97   2.260  -6.770   0.360
  663   HD12  LEU  97          HD12      LEU  97   3.454  -6.531  -0.928
  664   HD13  LEU  97          HD13      LEU  97   1.999  -5.503  -0.867
  665   HD21  LEU  97          HD21      LEU  97   1.883  -9.556  -2.124
  666   HD22  LEU  97          HD22      LEU  97   3.356  -8.776  -1.530
  667   HD23  LEU  97          HD23      LEU  97   2.065  -9.230  -0.370
  668    H    VAL  98           H        VAL  98  -1.042 -10.773  -3.252
  669    HA   VAL  98           HA       VAL  98  -1.918 -12.498  -1.117
  670    HB   VAL  98           HB       VAL  98  -0.643 -13.268  -3.778
  671   HG11  VAL  98          HG11      VAL  98  -2.321 -14.911  -1.814
  672   HG12  VAL  98          HG12      VAL  98  -1.845 -15.438  -3.444
  673   HG13  VAL  98          HG13      VAL  98  -0.612 -15.179  -2.212
  674   HG21  VAL  98          HG21      VAL  98  -2.658 -11.946  -4.171
  675   HG22  VAL  98          HG22      VAL  98  -3.012 -13.640  -4.506
  676   HG23  VAL  98          HG23      VAL  98  -3.569 -12.906  -2.986
  677    H    VAL  99           H        VAL  99  -0.799 -13.801   0.240
  678    HA   VAL  99           HA       VAL  99   2.199 -13.728   0.239
  679    HB   VAL  99           HB       VAL  99   0.322 -14.094   2.623
  680   HG11  VAL  99          HG11      VAL  99   3.241 -13.336   2.517
  681   HG12  VAL  99          HG12      VAL  99   2.238 -13.496   3.974
  682   HG13  VAL  99          HG13      VAL  99   2.602 -14.934   2.987
  683   HG21  VAL  99          HG21      VAL  99  -0.077 -11.838   1.870
  684   HG22  VAL  99          HG22      VAL  99   0.953 -11.810   3.313
  685   HG23  VAL  99          HG23      VAL  99   1.671 -11.527   1.709
  686    H    ASN 100           H        ASN 100   3.139 -15.802   0.136
  687    HA   ASN 100           HA       ASN 100   1.468 -18.080  -0.232
  688    HB2  ASN 100           HB2      ASN 100   3.326 -18.963  -1.031
  689    HB3  ASN 100           HB3      ASN 100   4.179 -17.487  -0.616
  690   HD21  ASN 100          HD21      ASN 100   5.581 -17.477   1.130
  691   HD22  ASN 100          HD22      ASN 100   6.046 -18.980   1.961
  692    H    ASN 101           H        ASN 101   1.059 -19.885   1.032
  693    HA   ASN 101           HA       ASN 101   0.072 -19.505   3.535
  694    HB2  ASN 101           HB2      ASN 101  -0.603 -21.658   3.485
  695    HB3  ASN 101           HB3      ASN 101  -0.288 -21.380   1.774
  696   HD21  ASN 101          HD21      ASN 101   2.564 -21.699   1.655
  697   HD22  ASN 101          HD22      ASN 101   2.994 -23.212   2.377
  698    H    ASP 102           H        ASP 102   3.431 -19.977   2.986
  699    HA   ASP 102           HA       ASP 102   4.070 -21.178   5.584
  700    HB2  ASP 102           HB2      ASP 102   5.080 -21.769   3.307
  701    HB3  ASP 102           HB3      ASP 102   5.954 -20.240   3.397
  702    H    GLY 103           H        GLY 103   3.569 -17.996   4.494
  703    HA2  GLY 103           HA2      GLY 103   3.603 -16.122   5.910
  704    HA3  GLY 103           HA3      GLY 103   4.843 -16.866   6.942
  705    H    ILE 104           H        ILE 104   5.213 -16.722   3.477
  706    HA   ILE 104           HA       ILE 104   7.095 -14.404   3.635
  707    HB   ILE 104           HB       ILE 104   7.528 -17.017   2.089
  708   HG12  ILE 104          HG12      ILE 104   9.789 -16.804   3.555
  709   HG13  ILE 104          HG13      ILE 104   8.681 -16.027   4.678
  710   HG21  ILE 104          HG21      ILE 104   9.286 -14.540   2.131
  711   HG22  ILE 104          HG22      ILE 104   9.660 -16.087   1.354
  712   HG23  ILE 104          HG23      ILE 104   8.311 -15.123   0.771
  713   HD11  ILE 104          HD11      ILE 104   8.298 -18.805   3.489
  714   HD12  ILE 104          HD12      ILE 104   8.958 -18.455   5.097
  715   HD13  ILE 104          HD13      ILE 104   7.278 -18.054   4.726
  716    H    ALA 105           H        ALA 105   6.594 -12.885   2.181
  717    HA   ALA 105           HA       ALA 105   4.575 -13.465   0.058
  718    HB1  ALA 105           HB1      ALA 105   5.780 -10.830   1.041
  719    HB2  ALA 105           HB2      ALA 105   4.533 -11.012  -0.214
  720    HB3  ALA 105           HB3      ALA 105   4.169 -11.464   1.457
  721    H    THR 106           H        THR 106   5.433 -14.285  -1.682
  722    HA   THR 106           HA       THR 106   7.880 -13.058  -2.905
  723    HB   THR 106           HB       THR 106   8.429 -15.178  -1.768
  724    HG1  THR 106           HG1      THR 106   8.495 -14.858  -4.537
  725   HG21  THR 106          HG21      THR 106   6.590 -16.496  -3.824
  726   HG22  THR 106          HG22      THR 106   7.710 -17.325  -2.725
  727   HG23  THR 106          HG23      THR 106   6.319 -16.446  -2.072
  728    H    GLU 107           H        GLU 107   4.665 -13.721  -3.214
  729    HA   GLU 107           HA       GLU 107   4.287 -14.545  -5.852
  730    HB2  GLU 107           HB2      GLU 107   2.583 -13.049  -3.834
  731    HB3  GLU 107           HB3      GLU 107   1.961 -13.597  -5.382
  732    HG2  GLU 107           HG2      GLU 107   1.375 -15.129  -3.555
  733    HG3  GLU 107           HG3      GLU 107   2.298 -15.900  -4.837
  734    HA   PRO 108           HA       PRO 108   5.132 -10.452  -7.705
  735    HB2  PRO 108           HB2      PRO 108   5.183 -11.167 -10.346
  736    HB3  PRO 108           HB3      PRO 108   6.536 -11.500  -9.229
  737    HG2  PRO 108           HG2      PRO 108   4.314 -13.380 -10.087
  738    HG3  PRO 108           HG3      PRO 108   6.073 -13.705 -10.003
  739    HD2  PRO 108           HD2      PRO 108   4.337 -14.430  -8.013
  740    HD3  PRO 108           HD3      PRO 108   6.018 -13.925  -7.663
  741    H    VAL 109           H        VAL 109   3.739  -8.902  -8.341
  742    HA   VAL 109           HA       VAL 109   1.247  -9.588  -9.824
  743    HB   VAL 109           HB       VAL 109  -0.119  -8.077  -8.482
  744   HG11  VAL 109          HG11      VAL 109   1.081 -10.241  -6.709
  745   HG12  VAL 109          HG12      VAL 109  -0.520  -9.495  -6.554
  746   HG13  VAL 109          HG13      VAL 109  -0.151 -10.499  -7.966
  747   HG21  VAL 109          HG21      VAL 109   1.543  -6.574  -7.518
  748   HG22  VAL 109          HG22      VAL 109   0.584  -7.309  -6.233
  749   HG23  VAL 109          HG23      VAL 109   2.228  -7.899  -6.546
  750    H    THR 110           H        THR 110   0.229  -7.546 -10.781
  751    HA   THR 110           HA       THR 110   2.254  -5.407 -11.258
  752    HB   THR 110           HB       THR 110   0.571  -6.658 -13.471
  753    HG1  THR 110           HG1      THR 110   2.041  -8.108 -13.504
  754   HG21  THR 110          HG21      THR 110   2.976  -4.765 -13.583
  755   HG22  THR 110          HG22      THR 110   2.101  -5.434 -14.971
  756   HG23  THR 110          HG23      THR 110   1.294  -4.299 -13.891
  757    H    ALA 111           H        ALA 111   1.465  -3.401 -11.350
  758    HA   ALA 111           HA       ALA 111  -1.495  -3.067 -10.993
  759    HB1  ALA 111           HB1      ALA 111   0.817  -1.436  -9.908
  760    HB2  ALA 111           HB2      ALA 111  -0.911  -1.111  -9.650
  761    HB3  ALA 111           HB3      ALA 111  -0.181  -2.603  -9.013
  762    HA   PRO 112           HA       PRO 112  -0.644  -0.907 -15.008
  763    HB2  PRO 112           HB2      PRO 112  -3.101  -1.415 -16.182
  764    HB3  PRO 112           HB3      PRO 112  -1.723  -2.543 -16.211
  765    HG2  PRO 112           HG2      PRO 112  -4.062  -2.512 -14.287
  766    HG3  PRO 112           HG3      PRO 112  -3.395  -3.906 -15.203
  767    HD2  PRO 112           HD2      PRO 112  -2.715  -3.487 -12.634
  768    HD3  PRO 112           HD3      PRO 112  -1.479  -4.016 -13.814
  769    H    ARG 113           H        ARG 113  -2.233   0.017 -12.316
  770    HA   ARG 113           HA       ARG 113  -3.776   2.279 -13.471
  771    HB2  ARG 113           HB2      ARG 113  -3.102   1.606 -10.572
  772    HB3  ARG 113           HB3      ARG 113  -4.002   3.026 -11.110
  773    HG2  ARG 113           HG2      ARG 113  -5.703   1.428 -12.162
  774    HG3  ARG 113           HG3      ARG 113  -4.870   0.120 -11.301
  775    HD2  ARG 113           HD2      ARG 113  -5.243   1.442  -9.154
  776    HD3  ARG 113           HD3      ARG 113  -6.228   2.570 -10.086
  777    HE   ARG 113           HE       ARG 113  -6.993  -0.288 -10.206
  778   HH11  ARG 113          HH11      ARG 113  -7.775   2.808  -8.591
  779   HH12  ARG 113          HH12      ARG 113  -9.395   2.209  -8.221
  780   HH21  ARG 113          HH21      ARG 113  -9.088  -0.918  -9.403
  781   HH22  ARG 113          HH22      ARG 113 -10.059   0.356  -8.703
  782    H    LEU 114           H        LEU 114  -0.566   1.531 -12.237
  783    HA   LEU 114           HA       LEU 114   0.319   4.394 -12.452
  784    HB2  LEU 114           HB2      LEU 114   1.340   2.038 -10.798
  785    HB3  LEU 114           HB3      LEU 114   2.255   3.515 -11.059
  786    HG   LEU 114           HG       LEU 114   1.332   3.506  -8.877
  787   HD11  LEU 114          HD11      LEU 114  -0.162   5.561 -10.549
  788   HD12  LEU 114          HD12      LEU 114   0.263   5.683  -8.829
  789   HD13  LEU 114          HD13      LEU 114   1.545   5.650 -10.054
  790   HD21  LEU 114          HD21      LEU 114  -0.689   2.071  -9.296
  791   HD22  LEU 114          HD22      LEU 114  -0.977   3.492  -8.275
  792   HD23  LEU 114          HD23      LEU 114  -1.502   3.512  -9.963
  793    H    LYS 115           H        LYS 115   1.779   4.802 -14.045
  794    HA   LYS 115           HA       LYS 115   2.730   2.463 -15.658
  795    HB2  LYS 115           HB2      LYS 115   1.463   5.031 -16.667
  796    HB3  LYS 115           HB3      LYS 115   2.184   3.759 -17.675
  797    HG2  LYS 115           HG2      LYS 115   0.604   2.097 -16.570
  798    HG3  LYS 115           HG3      LYS 115  -0.215   3.465 -15.808
  799    HD2  LYS 115           HD2      LYS 115  -0.800   4.358 -18.054
  800    HD3  LYS 115           HD3      LYS 115   0.000   2.946 -18.799
  801    HE2  LYS 115           HE2      LYS 115  -1.503   1.449 -17.426
  802    HE3  LYS 115           HE3      LYS 115  -2.326   2.877 -16.807
  803    HZ1  LYS 115           HZ1      LYS 115  -2.275   2.052 -19.653
  804    HZ2  LYS 115           HZ2      LYS 115  -3.553   1.906 -18.636
  805    HZ3  LYS 115           HZ3      LYS 115  -3.040   3.383 -19.070
  806    H    SER 116           H        SER 116   3.848   4.988 -13.866
  807    HA   SER 116           HA       SER 116   6.484   4.012 -14.585
  808    HB2  SER 116           HB2      SER 116   5.746   6.871 -15.103
  809    HB3  SER 116           HB3      SER 116   7.324   6.550 -14.384
  810    HG   SER 116           HG       SER 116   7.811   5.128 -16.020
  811    H    LEU 117           H        LEU 117   8.193   4.650 -12.904
  812    HA   LEU 117           HA       LEU 117   7.130   5.011 -10.198
  813    HB2  LEU 117           HB2      LEU 117   9.885   5.002 -11.463
  814    HB3  LEU 117           HB3      LEU 117   9.685   5.861  -9.970
  815    HG   LEU 117           HG       LEU 117  10.575   3.810  -9.436
  816   HD11  LEU 117          HD11      LEU 117   7.652   3.574  -8.628
  817   HD12  LEU 117          HD12      LEU 117   9.062   2.939  -7.769
  818   HD13  LEU 117          HD13      LEU 117   8.822   4.691  -7.881
  819   HD21  LEU 117          HD21      LEU 117  10.103   2.405 -11.261
  820   HD22  LEU 117          HD22      LEU 117   9.555   1.623  -9.782
  821   HD23  LEU 117          HD23      LEU 117   8.355   2.377 -10.866
  822    H    ASP 118           H        ASP 118   8.187   7.177 -12.761
  823    HA   ASP 118           HA       ASP 118   8.699   9.549 -11.692
  824    HB2  ASP 118           HB2      ASP 118   6.864   8.917 -14.038
  825    HB3  ASP 118           HB3      ASP 118   7.446  10.539 -13.675
  826    H    GLU 119           H        GLU 119   5.250   8.495 -12.057
  827    HA   GLU 119           HA       GLU 119   4.245  10.893 -10.777
  828    HB2  GLU 119           HB2      GLU 119   2.055   9.699 -10.843
  829    HB3  GLU 119           HB3      GLU 119   2.827   9.871 -12.391
  830    HG2  GLU 119           HG2      GLU 119   3.414   7.306 -10.923
  831    HG3  GLU 119           HG3      GLU 119   1.749   7.566 -11.441
  832    H    VAL 120           H        VAL 120   5.820   8.358  -9.300
  833    HA   VAL 120           HA       VAL 120   4.421   8.858  -6.714
  834    HB   VAL 120           HB       VAL 120   4.624   6.495  -6.089
  835   HG11  VAL 120          HG11      VAL 120   3.061   6.883  -8.671
  836   HG12  VAL 120          HG12      VAL 120   2.814   5.596  -7.498
  837   HG13  VAL 120          HG13      VAL 120   2.495   7.274  -7.041
  838   HG21  VAL 120          HG21      VAL 120   6.514   5.864  -7.658
  839   HG22  VAL 120          HG22      VAL 120   5.151   4.734  -7.651
  840   HG23  VAL 120          HG23      VAL 120   5.335   5.883  -8.986
  841    H    LYS 121           H        LYS 121   7.062   9.660  -8.139
  842    HA   LYS 121           HA       LYS 121   9.297   8.578  -6.828
  843    HB2  LYS 121           HB2      LYS 121  10.443  10.548  -7.678
  844    HB3  LYS 121           HB3      LYS 121   9.291   9.960  -8.882
  845    HG2  LYS 121           HG2      LYS 121   7.671  11.751  -8.190
  846    HG3  LYS 121           HG3      LYS 121   8.847  12.334  -7.001
  847    HD2  LYS 121           HD2      LYS 121  10.468  12.787  -8.809
  848    HD3  LYS 121           HD3      LYS 121   9.278  12.242 -10.015
  849    HE2  LYS 121           HE2      LYS 121   7.752  14.034  -9.433
  850    HE3  LYS 121           HE3      LYS 121   8.725  14.484  -8.026
  851    HZ1  LYS 121           HZ1      LYS 121   9.582  14.742 -10.856
  852    HZ2  LYS 121           HZ2      LYS 121   9.177  15.975  -9.859
  853    HZ3  LYS 121           HZ3      LYS 121  10.522  15.106  -9.528
  854    H    ASP 122           H        ASP 122   6.976  10.638  -5.503
  855    HA   ASP 122           HA       ASP 122   8.588  11.665  -3.244
  856    HB2  ASP 122           HB2      ASP 122   6.727  13.330  -3.173
  857    HB3  ASP 122           HB3      ASP 122   7.522  13.277  -4.740
  858    H    LYS 123           H        LYS 123   6.824   8.942  -3.642
  859    HA   LYS 123           HA       LYS 123   4.928   9.381  -1.383
  860    HB2  LYS 123           HB2      LYS 123   4.662   7.636  -3.857
  861    HB3  LYS 123           HB3      LYS 123   3.440   7.864  -2.601
  862    HG2  LYS 123           HG2      LYS 123   3.658  10.396  -3.066
  863    HG3  LYS 123           HG3      LYS 123   4.535   9.912  -4.531
  864    HD2  LYS 123           HD2      LYS 123   2.588   8.656  -5.321
  865    HD3  LYS 123           HD3      LYS 123   1.726   9.012  -3.819
  866    HE2  LYS 123           HE2      LYS 123   0.939  10.486  -5.507
  867    HE3  LYS 123           HE3      LYS 123   1.835  11.431  -4.302
  868    HZ1  LYS 123           HZ1      LYS 123   2.966  10.635  -6.938
  869    HZ2  LYS 123           HZ2      LYS 123   2.449  12.138  -6.533
  870    HZ3  LYS 123           HZ3      LYS 123   3.737  11.504  -5.784
  871    H    ALA 124           H        ALA 124   3.879   7.350  -0.557
  872    HA   ALA 124           HA       ALA 124   5.936   5.346   0.275
  873    HB1  ALA 124           HB1      ALA 124   3.379   6.274   1.663
  874    HB2  ALA 124           HB2      ALA 124   4.447   4.970   2.227
  875    HB3  ALA 124           HB3      ALA 124   5.052   6.623   2.168
  876    H    LEU 125           H        LEU 125   5.504   3.219   0.100
  877    HA   LEU 125           HA       LEU 125   2.981   2.261  -1.228
  878    HB2  LEU 125           HB2      LEU 125   5.753   1.015  -1.005
  879    HB3  LEU 125           HB3      LEU 125   4.365   0.201  -1.705
  880    HG   LEU 125           HG       LEU 125   4.940   2.829  -2.981
  881   HD11  LEU 125          HD11      LEU 125   6.983   0.571  -3.085
  882   HD12  LEU 125          HD12      LEU 125   6.940   1.942  -4.215
  883   HD13  LEU 125          HD13      LEU 125   7.232   2.226  -2.490
  884   HD21  LEU 125          HD21      LEU 125   3.364   1.099  -3.909
  885   HD22  LEU 125          HD22      LEU 125   4.640   1.590  -5.039
  886   HD23  LEU 125          HD23      LEU 125   4.768   0.041  -4.194
  887    H    MET 126           H        MET 126   1.675   1.028   0.098
  888    HA   MET 126           HA       MET 126   2.753   0.211   2.793
  889    HB2  MET 126           HB2      MET 126   0.232   1.675   2.003
  890    HB3  MET 126           HB3      MET 126   0.449   0.899   3.591
  891    HG2  MET 126           HG2      MET 126   2.340   2.339   4.083
  892    HG3  MET 126           HG3      MET 126   2.221   3.114   2.508
  893    HE1  MET 126           HE1      MET 126   2.341   5.289   4.097
  894    HE2  MET 126           HE2      MET 126   1.077   5.758   5.251
  895    HE3  MET 126           HE3      MET 126   2.138   4.374   5.587
  896    H    ILE 127           H        ILE 127   2.399  -1.776   3.376
  897    HA   ILE 127           HA       ILE 127   0.469  -3.559   1.957
  898    HB   ILE 127           HB       ILE 127   2.422  -4.259   4.189
  899   HG12  ILE 127          HG12      ILE 127   2.738  -4.467   1.169
  900   HG13  ILE 127          HG13      ILE 127   3.713  -3.511   2.273
  901   HG21  ILE 127          HG21      ILE 127   0.834  -6.014   2.255
  902   HG22  ILE 127          HG22      ILE 127   1.922  -6.585   3.543
  903   HG23  ILE 127          HG23      ILE 127   0.437  -5.757   3.966
  904   HD11  ILE 127          HD11      ILE 127   3.688  -6.551   2.134
  905   HD12  ILE 127          HD12      ILE 127   4.963  -5.459   1.601
  906   HD13  ILE 127          HD13      ILE 127   4.583  -5.593   3.331
  907    H    HIS 128           H        HIS 128  -1.510  -3.616   2.649
  908    HA   HIS 128           HA       HIS 128  -2.269  -2.533   5.302
  909    HB2  HIS 128           HB2      HIS 128  -3.562  -2.752   2.581
  910    HB3  HIS 128           HB3      HIS 128  -4.552  -2.539   3.991
  911    HD1  HIS 128           HD1      HIS 128  -1.386  -0.727   2.703
  912    HD2  HIS 128           HD2      HIS 128  -5.203  -0.078   4.280
  913    HE1  HIS 128           HE1      HIS 128  -1.729   1.815   2.737
  914    H    VAL 129           H        VAL 129  -3.716  -3.587   6.678
  915    HA   VAL 129           HA       VAL 129  -3.502  -6.478   6.726
  916    HB   VAL 129           HB       VAL 129  -5.149  -4.553   8.390
  917   HG11  VAL 129          HG11      VAL 129  -4.753  -7.558   8.786
  918   HG12  VAL 129          HG12      VAL 129  -5.431  -6.455  10.003
  919   HG13  VAL 129          HG13      VAL 129  -6.295  -6.724   8.489
  920   HG21  VAL 129          HG21      VAL 129  -2.663  -4.418   8.678
  921   HG22  VAL 129          HG22      VAL 129  -3.437  -5.065  10.128
  922   HG23  VAL 129          HG23      VAL 129  -2.609  -6.157   9.001
  923    H    GLY 130           H        GLY 130  -6.299  -4.246   6.110
  924    HA2  GLY 130           HA2      GLY 130  -8.032  -6.406   5.152
  925    HA3  GLY 130           HA3      GLY 130  -8.325  -4.657   5.018
  926    H    GLY 131           H        GLY 131  -8.712  -6.702   3.019
  927    HA2  GLY 131           HA2      GLY 131  -6.702  -6.574   0.943
  928    HA3  GLY 131           HA3      GLY 131  -8.313  -7.292   0.854
  929    H    ASP 132           H        ASP 132  -8.234  -6.427  -1.308
  930    HA   ASP 132           HA       ASP 132  -9.282  -3.692  -1.568
  931    HB2  ASP 132           HB2      ASP 132  -6.757  -3.562  -1.428
  932    HB3  ASP 132           HB3      ASP 132  -6.660  -4.484  -2.911
  933    H    ASN 133           H        ASN 133 -11.083  -4.336  -2.534
  934    HA   ASN 133           HA       ASN 133 -11.299  -5.415  -5.187
  935    HB2  ASN 133           HB2      ASN 133 -12.122  -7.647  -4.684
  936    HB3  ASN 133           HB3      ASN 133 -10.507  -7.492  -4.045
  937   HD21  ASN 133          HD21      ASN 133 -13.967  -7.601  -3.158
  938   HD22  ASN 133          HD22      ASN 133 -13.663  -8.109  -1.501
  939    H    MET 134           H        MET 134 -12.595  -3.384  -3.157
  940    HA   MET 134           HA       MET 134 -15.293  -4.655  -2.775
  941    HB2  MET 134           HB2      MET 134 -15.130  -3.786  -0.443
  942    HB3  MET 134           HB3      MET 134 -13.982  -5.058  -0.849
  943    HG2  MET 134           HG2      MET 134 -12.156  -3.422  -1.060
  944    HG3  MET 134           HG3      MET 134 -13.286  -2.098  -0.833
  945    HE1  MET 134           HE1      MET 134 -11.062  -4.787   0.750
  946    HE2  MET 134           HE2      MET 134 -11.690  -4.953   2.401
  947    HE3  MET 134           HE3      MET 134 -12.634  -5.573   1.031
  948    H    SER 135           H        SER 135 -16.094  -3.295  -4.560
  949    HA   SER 135           HA       SER 135 -16.215  -0.398  -4.223
  950    HB2  SER 135           HB2      SER 135 -17.847  -0.592  -6.119
  951    HB3  SER 135           HB3      SER 135 -16.278  -1.342  -6.454
  952    HG   SER 135           HG       SER 135 -18.590  -2.707  -5.531
  953    H    ASP 136           H        ASP 136 -17.247   0.398  -2.538
  954    HA   ASP 136           HA       ASP 136 -19.105   1.438  -1.706
  955    HB2  ASP 136           HB2      ASP 136 -20.664   0.468  -3.375
  956    HB3  ASP 136           HB3      ASP 136 -20.851  -0.962  -2.342
  957    H    GLN 137           H        GLN 137 -19.300   1.697   0.424
  958    HA   GLN 137           HA       GLN 137 -19.608  -0.521   2.254
  959    HB2  GLN 137           HB2      GLN 137 -17.515  -0.074   3.498
  960    HB3  GLN 137           HB3      GLN 137 -17.264  -0.816   1.937
  961    HG2  GLN 137           HG2      GLN 137 -16.923   2.191   2.408
  962    HG3  GLN 137           HG3      GLN 137 -15.636   1.019   2.644
  963   HE21  GLN 137          HE21      GLN 137 -15.417  -0.590   0.574
  964   HE22  GLN 137          HE22      GLN 137 -15.397   0.263  -0.943
  965    HA   PRO 138           HA       PRO 138 -21.087   2.989   4.701
  966    HB2  PRO 138           HB2      PRO 138 -21.857   1.706   6.971
  967    HB3  PRO 138           HB3      PRO 138 -22.738   1.519   5.425
  968    HG2  PRO 138           HG2      PRO 138 -20.704  -0.363   6.650
  969    HG3  PRO 138           HG3      PRO 138 -22.266  -0.759   5.885
  970    HD2  PRO 138           HD2      PRO 138 -19.829  -0.886   4.571
  971    HD3  PRO 138           HD3      PRO 138 -21.382  -0.566   3.744
  972    H    LYS 139           H        LYS 139 -19.029   0.568   6.498
  973    HA   LYS 139           HA       LYS 139 -17.640   2.625   8.006
  974    HB2  LYS 139           HB2      LYS 139 -17.111  -0.326   7.503
  975    HB3  LYS 139           HB3      LYS 139 -15.997   0.692   8.429
  976    HG2  LYS 139           HG2      LYS 139 -17.695   1.214  10.083
  977    HG3  LYS 139           HG3      LYS 139 -18.952   0.456   9.111
  978    HD2  LYS 139           HD2      LYS 139 -18.506  -0.992  10.892
  979    HD3  LYS 139           HD3      LYS 139 -17.875  -1.761   9.434
  980    HE2  LYS 139           HE2      LYS 139 -15.567  -1.129  10.113
  981    HE3  LYS 139           HE3      LYS 139 -16.213  -0.291  11.536
  982    HZ1  LYS 139           HZ1      LYS 139 -16.461  -3.207  11.010
  983    HZ2  LYS 139           HZ2      LYS 139 -15.461  -2.554  12.103
  984    HZ3  LYS 139           HZ3      LYS 139 -17.106  -2.447  12.295
  985    HA   PRO 140           HA       PRO 140 -15.987   3.989   4.233
  986    HB2  PRO 140           HB2      PRO 140 -14.391   6.096   4.986
  987    HB3  PRO 140           HB3      PRO 140 -16.175   6.096   5.140
  988    HG2  PRO 140           HG2      PRO 140 -14.132   5.397   7.277
  989    HG3  PRO 140           HG3      PRO 140 -15.505   6.550   7.395
  990    HD2  PRO 140           HD2      PRO 140 -15.746   4.014   8.300
  991    HD3  PRO 140           HD3      PRO 140 -17.096   4.794   7.417
  992    H    LEU 141           H        LEU 141 -14.107   4.395   2.938
  993    HA   LEU 141           HA       LEU 141 -12.088   4.167   2.059
  994    HB2  LEU 141           HB2      LEU 141 -11.690   5.415   4.288
  995    HB3  LEU 141           HB3      LEU 141 -10.998   3.908   4.881
  996    HG   LEU 141           HG       LEU 141  -9.274   4.017   3.087
  997   HD11  LEU 141          HD11      LEU 141 -10.643   6.659   2.392
  998   HD12  LEU 141          HD12      LEU 141  -9.005   6.235   1.865
  999   HD13  LEU 141          HD13      LEU 141 -10.374   5.267   1.317
 1000   HD21  LEU 141          HD21      LEU 141  -8.842   4.975   5.313
 1001   HD22  LEU 141          HD22      LEU 141  -8.001   5.882   4.045
 1002   HD23  LEU 141          HD23      LEU 141  -9.482   6.542   4.771
 1003    H    GLY 142           H        GLY 142 -13.194   1.546   3.844
 1004    HA2  GLY 142           HA2      GLY 142 -12.877  -0.651   2.648
 1005    HA3  GLY 142           HA3      GLY 142 -11.134  -0.348   2.731
 1006    H    GLY 143           H        GLY 143 -12.377   0.782   5.627
 1007    HA2  GLY 143           HA2      GLY 143 -12.870  -0.040   7.707
 1008    HA3  GLY 143           HA3      GLY 143 -13.258  -1.588   6.930
 1009    H    GLY 144           H        GLY 144 -10.441  -1.957   6.000
 1010    HA2  GLY 144           HA2      GLY 144  -9.120  -2.753   8.581
 1011    HA3  GLY 144           HA3      GLY 144  -8.908  -3.538   7.002
 1012    H    GLY 145           H        GLY 145  -8.569  -0.245   8.396
 1013    HA2  GLY 145           HA2      GLY 145  -6.533   0.517   6.440
 1014    HA3  GLY 145           HA3      GLY 145  -7.219   1.512   7.752
 1015    H    THR 146           H        THR 146  -6.207  -1.243   9.282
 1016    HA   THR 146           HA       THR 146  -3.679  -0.212  10.245
 1017    HB   THR 146           HB       THR 146  -3.508  -2.690  11.083
 1018    HG1  THR 146           HG1      THR 146  -5.693  -3.536  11.293
 1019   HG21  THR 146          HG21      THR 146  -5.767  -0.869  12.033
 1020   HG22  THR 146          HG22      THR 146  -4.996  -2.171  12.966
 1021   HG23  THR 146          HG23      THR 146  -4.059  -0.742  12.517
 1022    H    ARG 147           H        ARG 147  -1.620  -1.023   9.820
 1023    HA   ARG 147           HA       ARG 147  -1.238  -2.165   7.077
 1024    HB2  ARG 147           HB2      ARG 147   0.413  -0.196   8.701
 1025    HB3  ARG 147           HB3      ARG 147   1.126  -1.166   7.427
 1026    HG2  ARG 147           HG2      ARG 147   0.641   0.979   6.558
 1027    HG3  ARG 147           HG3      ARG 147  -0.377  -0.208   5.743
 1028    HD2  ARG 147           HD2      ARG 147  -2.347   0.601   6.727
 1029    HD3  ARG 147           HD3      ARG 147  -1.480   1.299   8.112
 1030    HE   ARG 147           HE       ARG 147  -0.670   2.576   5.672
 1031   HH11  ARG 147          HH11      ARG 147  -3.426   2.666   7.938
 1032   HH12  ARG 147          HH12      ARG 147  -3.411   4.428   7.918
 1033   HH21  ARG 147          HH21      ARG 147  -0.976   4.792   5.559
 1034   HH22  ARG 147          HH22      ARG 147  -2.164   5.541   6.627
 1035    H    TYR 148           H        TYR 148   0.325  -3.744   6.817
 1036    HA   TYR 148           HA       TYR 148   1.645  -4.774   9.302
 1037    HB2  TYR 148           HB2      TYR 148   0.363  -6.471   7.878
 1038    HB3  TYR 148           HB3      TYR 148   1.606  -6.305   6.639
 1039    HD1  TYR 148           HD1      TYR 148   0.941  -7.400  10.130
 1040    HD2  TYR 148           HD2      TYR 148   3.833  -7.147   6.942
 1041    HE1  TYR 148           HE1      TYR 148   2.424  -8.993  11.347
 1042    HE2  TYR 148           HE2      TYR 148   5.292  -8.746   8.133
 1043    HH   TYR 148           HH       TYR 148   5.526 -10.116   9.931
 1044    H    ALA 149           H        ALA 149   2.164  -3.002   6.297
 1045    HA   ALA 149           HA       ALA 149   4.755  -2.267   7.336
 1046    HB1  ALA 149           HB1      ALA 149   4.752  -3.679   4.639
 1047    HB2  ALA 149           HB2      ALA 149   6.151  -3.030   5.504
 1048    HB3  ALA 149           HB3      ALA 149   5.299  -4.432   6.155
 1049    H    CYS 150           H        CYS 150   5.893  -0.645   6.114
 1050    HA   CYS 150           HA       CYS 150   4.530   0.767   3.929
 1051    HB2  CYS 150           HB2      CYS 150   3.746   1.841   6.016
 1052    HB3  CYS 150           HB3      CYS 150   5.422   2.118   6.493
 1053    H    GLY 151           H        GLY 151   6.027   2.033   2.706
 1054    HA2  GLY 151           HA2      GLY 151   8.888   2.048   3.403
 1055    HA3  GLY 151           HA3      GLY 151   8.482   1.111   1.965
 1056    H    VAL 152           H        VAL 152   9.866   3.803   2.578
 1057    HA   VAL 152           HA       VAL 152   8.230   5.678   0.941
 1058    HB   VAL 152           HB       VAL 152  10.793   6.168   2.513
 1059   HG11  VAL 152          HG11      VAL 152   8.975   8.107   1.017
 1060   HG12  VAL 152          HG12      VAL 152  10.244   8.587   2.164
 1061   HG13  VAL 152          HG13      VAL 152  10.684   7.757   0.674
 1062   HG21  VAL 152          HG21      VAL 152   8.879   5.748   4.004
 1063   HG22  VAL 152          HG22      VAL 152   9.304   7.461   4.034
 1064   HG23  VAL 152          HG23      VAL 152   7.890   6.920   3.103
 1065    H    ILE 153           H        ILE 153   8.705   6.219  -1.094
 1066    HA   ILE 153           HA       ILE 153  10.657   4.673  -2.617
 1067    HB   ILE 153           HB       ILE 153   8.706   6.898  -3.317
 1068   HG12  ILE 153          HG12      ILE 153   8.713   3.944  -4.089
 1069   HG13  ILE 153          HG13      ILE 153   7.903   4.530  -2.641
 1070   HG21  ILE 153          HG21      ILE 153  10.504   5.310  -5.209
 1071   HG22  ILE 153          HG22      ILE 153   9.162   6.355  -5.714
 1072   HG23  ILE 153          HG23      ILE 153  10.556   7.065  -4.915
 1073   HD11  ILE 153          HD11      ILE 153   7.182   5.316  -5.474
 1074   HD12  ILE 153          HD12      ILE 153   6.289   4.231  -4.412
 1075   HD13  ILE 153          HD13      ILE 153   6.417   5.937  -3.983
 1076    H    LYS 154           H        LYS 154  12.583   5.334  -3.574
 1077    HA   LYS 154           HA       LYS 154  13.747   7.879  -2.509
 1078    HB2  LYS 154           HB2      LYS 154  15.041   5.215  -3.275
 1079    HB3  LYS 154           HB3      LYS 154  15.951   6.670  -2.903
 1080    HG2  LYS 154           HG2      LYS 154  14.089   5.257  -0.938
 1081    HG3  LYS 154           HG3      LYS 154  15.842   5.062  -1.028
 1082    HD2  LYS 154           HD2      LYS 154  16.078   7.551  -0.637
 1083    HD3  LYS 154           HD3      LYS 154  14.330   7.613  -0.312
 1084    HE2  LYS 154           HE2      LYS 154  14.594   6.010   1.542
 1085    HE3  LYS 154           HE3      LYS 154  16.318   5.827   1.170
 1086    HZ1  LYS 154           HZ1      LYS 154  15.025   8.337   2.065
 1087    HZ2  LYS 154           HZ2      LYS 154  15.975   7.380   2.991
 1088    HZ3  LYS 154           HZ3      LYS 154  16.605   8.194   1.696
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1  13.329  -1.321 -14.977
    2    H2   ALA   1           H2       ALA   1  14.019  -0.585 -16.299
    3    H3   ALA   1           H3       ALA   1  12.565  -0.081 -15.743
    4    HA   ALA   1           HA       ALA   1  15.179   0.254 -14.478
    5    HB1  ALA   1           HB1      ALA   1  13.081   2.338 -15.185
    6    HB2  ALA   1           HB2      ALA   1  14.695   2.627 -14.512
    7    HB3  ALA   1           HB3      ALA   1  14.524   1.970 -16.152
    8    H    SER   2           H        SER   2  15.294   0.710 -12.226
    9    HA   SER   2           HA       SER   2  12.852  -0.331 -10.839
   10    HB2  SER   2           HB2      SER   2  15.481  -1.653 -10.398
   11    HB3  SER   2           HB3      SER   2  13.861  -2.343 -10.369
   12    HG   SER   2           HG       SER   2  13.911  -2.403 -12.675
   13    H    GLU   3           H        GLU   3  12.798  -0.417  -8.635
   14    HA   GLU   3           HA       GLU   3  15.140   0.216  -7.145
   15    HB2  GLU   3           HB2      GLU   3  14.242   2.544  -7.513
   16    HB3  GLU   3           HB3      GLU   3  12.784   2.073  -6.617
   17    HG2  GLU   3           HG2      GLU   3  14.441   3.309  -5.233
   18    HG3  GLU   3           HG3      GLU   3  14.106   1.688  -4.592
   19    H    LYS   4           H        LYS   4  15.198  -0.796  -5.266
   20    HA   LYS   4           HA       LYS   4  12.976  -2.516  -4.446
   21    HB2  LYS   4           HB2      LYS   4  15.323  -3.348  -4.921
   22    HB3  LYS   4           HB3      LYS   4  15.952  -2.204  -3.738
   23    HG2  LYS   4           HG2      LYS   4  14.239  -3.464  -2.165
   24    HG3  LYS   4           HG3      LYS   4  14.478  -4.763  -3.343
   25    HD2  LYS   4           HD2      LYS   4  16.563  -3.347  -1.625
   26    HD3  LYS   4           HD3      LYS   4  16.001  -5.003  -1.402
   27    HE2  LYS   4           HE2      LYS   4  17.118  -5.765  -3.399
   28    HE3  LYS   4           HE3      LYS   4  17.466  -4.098  -3.902
   29    HZ1  LYS   4           HZ1      LYS   4  18.629  -5.371  -1.470
   30    HZ2  LYS   4           HZ2      LYS   4  19.433  -5.080  -2.862
   31    HZ3  LYS   4           HZ3      LYS   4  18.868  -3.828  -1.990
   32    H    VAL   5           H        VAL   5  11.536  -1.650  -3.005
   33    HA   VAL   5           HA       VAL   5  12.538   0.442  -1.103
   34    HB   VAL   5           HB       VAL   5   9.690  -0.195  -1.920
   35   HG11  VAL   5          HG11      VAL   5  10.865   1.866   0.009
   36   HG12  VAL   5          HG12      VAL   5   9.226   1.980  -0.647
   37   HG13  VAL   5          HG13      VAL   5   9.663   0.608   0.375
   38   HG21  VAL   5          HG21      VAL   5  10.925   0.947  -3.718
   39   HG22  VAL   5          HG22      VAL   5   9.805   2.088  -2.960
   40   HG23  VAL   5          HG23      VAL   5  11.532   2.160  -2.568
   41    H    GLY   6           H        GLY   6  12.688   0.080   0.968
   42    HA2  GLY   6           HA2      GLY   6  12.188  -2.555   2.157
   43    HA3  GLY   6           HA3      GLY   6  12.903  -1.123   2.951
   44    H    MET   7           H        MET   7  10.189  -3.076   2.729
   45    HA   MET   7           HA       MET   7   8.280  -0.981   3.552
   46    HB2  MET   7           HB2      MET   7   7.766  -3.938   3.028
   47    HB3  MET   7           HB3      MET   7   6.562  -2.657   3.311
   48    HG2  MET   7           HG2      MET   7   7.817  -1.456   1.323
   49    HG3  MET   7           HG3      MET   7   8.380  -3.068   0.935
   50    HE1  MET   7           HE1      MET   7   5.627  -0.464   0.842
   51    HE2  MET   7           HE2      MET   7   4.131  -1.351   0.476
   52    HE3  MET   7           HE3      MET   7   4.873  -1.451   2.090
   53    H    ASN   8           H        ASN   8   9.097  -0.351   5.508
   54    HA   ASN   8           HA       ASN   8   9.762  -2.171   7.634
   55    HB2  ASN   8           HB2      ASN   8   9.505   0.816   7.317
   56    HB3  ASN   8           HB3      ASN   8   9.436   0.132   8.954
   57   HD21  ASN   8          HD21      ASN   8  11.359  -0.099   9.966
   58   HD22  ASN   8          HD22      ASN   8  12.872  -0.498   9.143
   59    H    LEU   9           H        LEU   9   8.691  -2.847   9.425
   60    HA   LEU   9           HA       LEU   9   5.811  -2.993   9.345
   61    HB2  LEU   9           HB2      LEU   9   7.758  -3.533  11.628
   62    HB3  LEU   9           HB3      LEU   9   6.081  -4.058  11.567
   63    HG   LEU   9           HG       LEU   9   8.237  -4.980   9.598
   64   HD11  LEU   9          HD11      LEU   9   7.072  -6.422  12.008
   65   HD12  LEU   9          HD12      LEU   9   8.204  -7.103  10.820
   66   HD13  LEU   9          HD13      LEU   9   8.722  -5.770  11.866
   67   HD21  LEU   9          HD21      LEU   9   6.002  -5.116   8.610
   68   HD22  LEU   9          HD22      LEU   9   6.586  -6.735   9.017
   69   HD23  LEU   9          HD23      LEU   9   5.388  -5.937  10.063
   70    H    VAL  10           H        VAL  10   4.294  -1.767  10.353
   71    HA   VAL  10           HA       VAL  10   5.099   0.400  12.205
   72    HB   VAL  10           HB       VAL  10   3.693   2.072  11.158
   73   HG11  VAL  10          HG11      VAL  10   5.727   1.086   9.128
   74   HG12  VAL  10          HG12      VAL  10   5.133   2.749   9.361
   75   HG13  VAL  10          HG13      VAL  10   6.106   1.977  10.614
   76   HG21  VAL  10          HG21      VAL  10   2.054   0.769   9.938
   77   HG22  VAL  10          HG22      VAL  10   2.876   1.864   8.829
   78   HG23  VAL  10          HG23      VAL  10   3.316   0.143   8.831
   79    H    THR  11           H        THR  11   3.370   1.244  13.439
   80    HA   THR  11           HA       THR  11   0.797  -0.095  13.642
   81    HB   THR  11           HB       THR  11   2.083  -2.014  14.200
   82    HG1  THR  11           HG1      THR  11   0.976  -0.752  16.453
   83   HG21  THR  11          HG21      THR  11   3.395  -0.399  16.440
   84   HG22  THR  11          HG22      THR  11   3.510  -2.152  16.203
   85   HG23  THR  11          HG23      THR  11   4.206  -1.058  15.003
   86    H    ALA  12           H        ALA  12   1.200   2.515  13.527
   87    HA   ALA  12           HA       ALA  12   0.508   4.468  14.435
   88    HB1  ALA  12           HB1      ALA  12  -0.537   2.851  16.787
   89    HB2  ALA  12           HB2      ALA  12  -1.102   4.417  16.191
   90    HB3  ALA  12           HB3      ALA  12  -1.352   2.965  15.216
   91    H    GLN  13           H        GLN  13   2.721   2.662  16.402
   92    HA   GLN  13           HA       GLN  13   3.590   5.035  17.938
   93    HB2  GLN  13           HB2      GLN  13   4.501   2.128  17.689
   94    HB3  GLN  13           HB3      GLN  13   5.469   3.357  18.499
   95    HG2  GLN  13           HG2      GLN  13   4.447   2.315  20.232
   96    HG3  GLN  13           HG3      GLN  13   3.563   3.849  20.050
   97   HE21  GLN  13          HE21      GLN  13   1.433   3.668  18.841
   98   HE22  GLN  13          HE22      GLN  13   0.785   2.045  18.593
   99    H    GLY  14           H        GLY  14   4.002   4.141  14.735
  100    HA2  GLY  14           HA2      GLY  14   5.243   5.565  13.222
  101    HA3  GLY  14           HA3      GLY  14   6.535   5.704  14.448
  102    H    VAL  15           H        VAL  15   7.949   5.074  12.728
  103    HA   VAL  15           HA       VAL  15   7.921   2.521  11.431
  104    HB   VAL  15           HB       VAL  15  10.217   4.442  11.934
  105   HG11  VAL  15          HG11      VAL  15   9.993   2.103   9.982
  106   HG12  VAL  15          HG12      VAL  15  11.307   3.297   9.995
  107   HG13  VAL  15          HG13      VAL  15  11.106   2.201  11.364
  108   HG21  VAL  15          HG21      VAL  15   8.377   4.092   9.525
  109   HG22  VAL  15          HG22      VAL  15   8.421   5.490  10.622
  110   HG23  VAL  15          HG23      VAL  15   9.806   5.146   9.583
  111    H    GLY  16           H        GLY  16   8.390   0.584  12.170
  112    HA2  GLY  16           HA2      GLY  16   9.715   0.144  14.787
  113    HA3  GLY  16           HA3      GLY  16   8.918  -1.049  13.713
  114    H    GLN  17           H        GLN  17   9.945  -1.987  12.076
  115    HA   GLN  17           HA       GLN  17  12.611  -1.583  11.210
  116    HB2  GLN  17           HB2      GLN  17  13.765  -3.452  12.141
  117    HB3  GLN  17           HB3      GLN  17  13.215  -2.423  13.437
  118    HG2  GLN  17           HG2      GLN  17  12.657  -4.418  14.362
  119    HG3  GLN  17           HG3      GLN  17  11.143  -4.169  13.466
  120   HE21  GLN  17          HE21      GLN  17  10.815  -5.494  11.505
  121   HE22  GLN  17          HE22      GLN  17  11.918  -6.855  11.199
  122    H    SER  18           H        SER  18  13.182  -3.424   9.594
  123    HA   SER  18           HA       SER  18  10.619  -4.450   8.423
  124    HB2  SER  18           HB2      SER  18  11.716  -2.685   7.130
  125    HB3  SER  18           HB3      SER  18  13.193  -3.664   7.032
  126    HG   SER  18           HG       SER  18  11.960  -4.247   5.223
  127    H    ILE  19           H        ILE  19  10.422  -6.523   7.717
  128    HA   ILE  19           HA       ILE  19  12.779  -8.369   7.825
  129    HB   ILE  19           HB       ILE  19   9.848  -9.080   8.018
  130   HG12  ILE  19          HG12      ILE  19  10.534  -7.929  10.048
  131   HG13  ILE  19          HG13      ILE  19  10.266  -9.634  10.389
  132   HG21  ILE  19          HG21      ILE  19  12.338 -10.769   7.948
  133   HG22  ILE  19          HG22      ILE  19  11.035 -11.295   9.022
  134   HG23  ILE  19          HG23      ILE  19  10.697 -11.092   7.317
  135   HD11  ILE  19          HD11      ILE  19  13.011  -8.341   9.958
  136   HD12  ILE  19          HD12      ILE  19  12.330  -8.857  11.518
  137   HD13  ILE  19          HD13      ILE  19  12.737 -10.053  10.270
  138    H    GLY  20           H        GLY  20  12.286  -6.519   5.780
  139    HA2  GLY  20           HA2      GLY  20  13.473  -7.864   3.972
  140    HA3  GLY  20           HA3      GLY  20  11.851  -8.326   3.444
  141    H    THR  21           H        THR  21  12.168  -7.323   1.401
  142    HA   THR  21           HA       THR  21  11.330  -4.479   1.411
  143    HB   THR  21           HB       THR  21  12.820  -3.786  -0.267
  144    HG1  THR  21           HG1      THR  21  13.601  -6.519  -0.438
  145   HG21  THR  21          HG21      THR  21  14.659  -5.472   1.460
  146   HG22  THR  21          HG22      THR  21  15.040  -3.992   0.560
  147   HG23  THR  21          HG23      THR  21  13.973  -3.909   1.959
  148    H    VAL  22           H        VAL  22  10.666  -3.952  -0.945
  149    HA   VAL  22           HA       VAL  22   9.765  -6.340  -2.457
  150    HB   VAL  22           HB       VAL  22   8.103  -3.782  -2.224
  151   HG11  VAL  22          HG11      VAL  22   7.754  -6.354  -3.811
  152   HG12  VAL  22          HG12      VAL  22   6.486  -5.197  -3.592
  153   HG13  VAL  22          HG13      VAL  22   7.935  -4.714  -4.475
  154   HG21  VAL  22          HG21      VAL  22   7.779  -5.113  -0.214
  155   HG22  VAL  22          HG22      VAL  22   6.362  -5.335  -1.247
  156   HG23  VAL  22          HG23      VAL  22   7.606  -6.600  -1.156
  157    H    VAL  23           H        VAL  23  10.366  -6.245  -4.574
  158    HA   VAL  23           HA       VAL  23  11.898  -3.836  -5.379
  159    HB   VAL  23           HB       VAL  23  12.928  -6.005  -5.600
  160   HG11  VAL  23          HG11      VAL  23  11.013  -6.647  -7.782
  161   HG12  VAL  23          HG12      VAL  23  12.605  -7.406  -7.580
  162   HG13  VAL  23          HG13      VAL  23  11.440  -7.560  -6.284
  163   HG21  VAL  23          HG21      VAL  23  13.655  -3.968  -6.872
  164   HG22  VAL  23          HG22      VAL  23  14.029  -5.465  -7.739
  165   HG23  VAL  23          HG23      VAL  23  12.631  -4.486  -8.228
  166    H    ILE  24           H        ILE  24  11.190  -2.326  -6.699
  167    HA   ILE  24           HA       ILE  24   8.771  -2.893  -8.351
  168    HB   ILE  24           HB       ILE  24   9.785  -0.200  -7.372
  169   HG12  ILE  24          HG12      ILE  24   7.681  -2.120  -6.372
  170   HG13  ILE  24          HG13      ILE  24   8.708  -1.113  -5.438
  171   HG21  ILE  24          HG21      ILE  24   7.307  -0.947  -9.009
  172   HG22  ILE  24          HG22      ILE  24   7.772   0.687  -8.482
  173   HG23  ILE  24          HG23      ILE  24   8.757  -0.141  -9.658
  174   HD11  ILE  24          HD11      ILE  24   6.265  -0.146  -6.910
  175   HD12  ILE  24          HD12      ILE  24   6.551  -0.287  -5.181
  176   HD13  ILE  24          HD13      ILE  24   7.479   0.908  -6.114
  177    H    ASP  25           H        ASP  25   8.983  -2.844 -10.469
  178    HA   ASP  25           HA       ASP  25  11.286  -1.499 -11.770
  179    HB2  ASP  25           HB2      ASP  25  11.818  -3.873 -11.434
  180    HB3  ASP  25           HB3      ASP  25  10.318  -4.334 -12.274
  181    H    GLU  26           H        GLU  26  10.630  -0.406 -13.598
  182    HA   GLU  26           HA       GLU  26   7.694  -0.372 -14.015
  183    HB2  GLU  26           HB2      GLU  26   7.926   1.677 -15.250
  184    HB3  GLU  26           HB3      GLU  26   8.577   1.736 -13.609
  185    HG2  GLU  26           HG2      GLU  26   9.962   3.023 -15.120
  186    HG3  GLU  26           HG3      GLU  26  10.860   1.678 -14.463
  187    H    THR  27           H        THR  27   6.587  -0.326 -15.991
  188    HA   THR  27           HA       THR  27   7.993  -0.993 -18.454
  189    HB   THR  27           HB       THR  27   7.805  -3.207 -17.665
  190    HG1  THR  27           HG1      THR  27   7.182  -3.618 -19.538
  191   HG21  THR  27          HG21      THR  27   4.927  -2.704 -16.883
  192   HG22  THR  27          HG22      THR  27   5.647  -4.321 -17.069
  193   HG23  THR  27          HG23      THR  27   6.285  -3.232 -15.852
  194    H    GLU  28           H        GLU  28   6.197  -1.187 -20.219
  195    HA   GLU  28           HA       GLU  28   4.719   1.333 -20.121
  196    HB2  GLU  28           HB2      GLU  28   5.894   0.450 -22.107
  197    HB3  GLU  28           HB3      GLU  28   4.707  -0.869 -22.220
  198    HG2  GLU  28           HG2      GLU  28   2.947   0.667 -22.798
  199    HG3  GLU  28           HG3      GLU  28   3.869   2.067 -22.220
  200    H    GLY  29           H        GLY  29   4.073  -1.860 -19.142
  201    HA2  GLY  29           HA2      GLY  29   1.199  -1.251 -18.649
  202    HA3  GLY  29           HA3      GLY  29   1.955  -2.871 -18.465
  203    H    GLY  30           H        GLY  30   3.714  -0.181 -17.356
  204    HA2  GLY  30           HA2      GLY  30   3.910   1.052 -15.445
  205    HA3  GLY  30           HA3      GLY  30   2.462   0.252 -14.825
  206    H    LEU  31           H        LEU  31   2.993  -0.087 -12.828
  207    HA   LEU  31           HA       LEU  31   5.781  -0.632 -12.112
  208    HB2  LEU  31           HB2      LEU  31   3.284  -0.034 -10.481
  209    HB3  LEU  31           HB3      LEU  31   4.894  -0.211  -9.764
  210    HG   LEU  31           HG       LEU  31   4.121   1.865 -11.885
  211   HD11  LEU  31          HD11      LEU  31   4.512   2.215  -8.888
  212   HD12  LEU  31          HD12      LEU  31   4.239   3.516 -10.068
  213   HD13  LEU  31          HD13      LEU  31   2.972   2.321  -9.776
  214   HD21  LEU  31          HD21      LEU  31   6.527   1.391 -12.001
  215   HD22  LEU  31          HD22      LEU  31   6.238   2.980 -11.295
  216   HD23  LEU  31          HD23      LEU  31   6.669   1.625 -10.243
  217    H    LYS  32           H        LYS  32   6.490  -2.616 -12.376
  218    HA   LYS  32           HA       LYS  32   5.011  -5.016 -11.627
  219    HB2  LYS  32           HB2      LYS  32   6.648  -4.713 -13.583
  220    HB3  LYS  32           HB3      LYS  32   7.933  -4.699 -12.356
  221    HG2  LYS  32           HG2      LYS  32   6.879  -6.996 -11.597
  222    HG3  LYS  32           HG3      LYS  32   6.095  -6.928 -13.190
  223    HD2  LYS  32           HD2      LYS  32   8.061  -8.157 -13.556
  224    HD3  LYS  32           HD3      LYS  32   8.413  -6.527 -14.170
  225    HE2  LYS  32           HE2      LYS  32   9.399  -6.119 -11.758
  226    HE3  LYS  32           HE3      LYS  32   9.366  -7.892 -11.621
  227    HZ1  LYS  32           HZ1      LYS  32  10.931  -6.234 -13.548
  228    HZ2  LYS  32           HZ2      LYS  32  11.511  -7.296 -12.436
  229    HZ3  LYS  32           HZ3      LYS  32  10.719  -7.852 -13.765
  230    H    PHE  33           H        PHE  33   4.805  -5.511  -9.584
  231    HA   PHE  33           HA       PHE  33   6.672  -4.706  -7.429
  232    HB2  PHE  33           HB2      PHE  33   4.063  -4.268  -7.701
  233    HB3  PHE  33           HB3      PHE  33   3.878  -5.943  -7.165
  234    HD1  PHE  33           HD1      PHE  33   5.643  -2.814  -6.288
  235    HD2  PHE  33           HD2      PHE  33   3.445  -6.200  -4.873
  236    HE1  PHE  33           HE1      PHE  33   5.691  -1.861  -3.956
  237    HE2  PHE  33           HE2      PHE  33   3.412  -5.233  -2.566
  238    HZ   PHE  33           HZ       PHE  33   4.572  -3.070  -2.115
  239    H    THR  34           H        THR  34   8.187  -6.354  -6.780
  240    HA   THR  34           HA       THR  34   7.097  -9.157  -6.723
  241    HB   THR  34           HB       THR  34   9.949  -8.491  -7.418
  242    HG1  THR  34           HG1      THR  34   8.335  -7.906  -8.982
  243   HG21  THR  34          HG21      THR  34   8.334 -11.065  -7.442
  244   HG22  THR  34          HG22      THR  34   9.952 -10.861  -8.149
  245   HG23  THR  34          HG23      THR  34   9.722 -10.688  -6.398
  246    HA   PRO  35           HA       PRO  35   8.409  -8.102  -2.525
  247    HB2  PRO  35           HB2      PRO  35   6.751  -9.713  -1.118
  248    HB3  PRO  35           HB3      PRO  35   6.112  -8.329  -2.059
  249    HG2  PRO  35           HG2      PRO  35   6.250 -11.239  -2.890
  250    HG3  PRO  35           HG3      PRO  35   4.840 -10.143  -2.988
  251    HD2  PRO  35           HD2      PRO  35   6.534 -10.651  -5.102
  252    HD3  PRO  35           HD3      PRO  35   5.700  -9.075  -4.881
  253    H    HIS  36           H        HIS  36   9.470  -9.210  -0.678
  254    HA   HIS  36           HA       HIS  36  10.063 -12.067  -1.024
  255    HB2  HIS  36           HB2      HIS  36  12.354 -11.917  -1.413
  256    HB3  HIS  36           HB3      HIS  36  11.735 -10.598  -2.399
  257    HD1  HIS  36           HD1      HIS  36  13.995 -11.263   0.506
  258    HD2  HIS  36           HD2      HIS  36  12.112  -8.043  -1.384
  259    HE1  HIS  36           HE1      HIS  36  15.179  -9.158   1.416
  260    H    LEU  37           H        LEU  37   8.705 -10.346   1.008
  261    HA   LEU  37           HA       LEU  37  10.480 -10.410   3.365
  262    HB2  LEU  37           HB2      LEU  37   7.537  -9.650   3.386
  263    HB3  LEU  37           HB3      LEU  37   8.804  -9.285   4.571
  264    HG   LEU  37           HG       LEU  37   9.860  -8.040   2.387
  265   HD11  LEU  37          HD11      LEU  37   6.826  -7.785   2.099
  266   HD12  LEU  37          HD12      LEU  37   8.031  -6.793   1.271
  267   HD13  LEU  37          HD13      LEU  37   7.928  -8.525   0.916
  268   HD21  LEU  37          HD21      LEU  37   9.036  -5.940   3.337
  269   HD22  LEU  37          HD22      LEU  37   7.784  -6.818   4.252
  270   HD23  LEU  37          HD23      LEU  37   9.500  -7.065   4.630
  271    H    LYS  38           H        LYS  38  10.142 -11.644   5.264
  272    HA   LYS  38           HA       LYS  38   8.622 -14.179   4.668
  273    HB2  LYS  38           HB2      LYS  38  10.253 -15.395   6.087
  274    HB3  LYS  38           HB3      LYS  38  10.862 -14.838   4.585
  275    HG2  LYS  38           HG2      LYS  38  11.255 -13.369   7.258
  276    HG3  LYS  38           HG3      LYS  38  12.313 -14.640   6.658
  277    HD2  LYS  38           HD2      LYS  38  12.105 -11.809   5.741
  278    HD3  LYS  38           HD3      LYS  38  13.539 -12.773   6.033
  279    HE2  LYS  38           HE2      LYS  38  11.565 -13.204   3.769
  280    HE3  LYS  38           HE3      LYS  38  12.953 -12.138   3.602
  281    HZ1  LYS  38           HZ1      LYS  38  13.129 -14.624   2.878
  282    HZ2  LYS  38           HZ2      LYS  38  14.413 -13.929   3.606
  283    HZ3  LYS  38           HZ3      LYS  38  13.428 -14.941   4.446
  284    H    ALA  39           H        ALA  39   8.041 -11.734   6.281
  285    HA   ALA  39           HA       ALA  39   6.670 -13.126   8.547
  286    HB1  ALA  39           HB1      ALA  39   8.514 -10.722   8.726
  287    HB2  ALA  39           HB2      ALA  39   7.695 -11.511  10.095
  288    HB3  ALA  39           HB3      ALA  39   8.960 -12.377   9.172
  289    H    LEU  40           H        LEU  40   4.849 -12.686   6.936
  290    HA   LEU  40           HA       LEU  40   3.483 -10.339   8.037
  291    HB2  LEU  40           HB2      LEU  40   2.460 -10.569   5.319
  292    HB3  LEU  40           HB3      LEU  40   2.965  -9.252   6.283
  293    HG   LEU  40           HG       LEU  40   5.414  -9.757   5.495
  294   HD11  LEU  40          HD11      LEU  40   3.984 -11.351   3.358
  295   HD12  LEU  40          HD12      LEU  40   5.719 -11.085   3.515
  296   HD13  LEU  40          HD13      LEU  40   4.881 -12.126   4.674
  297   HD21  LEU  40          HD21      LEU  40   3.989  -7.934   4.555
  298   HD22  LEU  40          HD22      LEU  40   4.982  -8.686   3.292
  299   HD23  LEU  40          HD23      LEU  40   3.262  -9.109   3.425
  300    HA   PRO  41           HA       PRO  41   0.259 -12.950   8.571
  301    HB2  PRO  41           HB2      PRO  41  -2.112 -11.560   7.873
  302    HB3  PRO  41           HB3      PRO  41  -1.219 -11.426   9.413
  303    HG2  PRO  41           HG2      PRO  41  -0.943  -9.739   6.956
  304    HG3  PRO  41           HG3      PRO  41  -1.114  -9.205   8.655
  305    HD2  PRO  41           HD2      PRO  41   1.310  -9.296   7.577
  306    HD3  PRO  41           HD3      PRO  41   1.022 -10.036   9.190
  307    HA   PRO  42           HA       PRO  42   0.661 -14.863   4.883
  308    HB2  PRO  42           HB2      PRO  42   0.229 -17.418   5.570
  309    HB3  PRO  42           HB3      PRO  42   1.146 -16.360   6.661
  310    HG2  PRO  42           HG2      PRO  42  -1.865 -16.820   6.791
  311    HG3  PRO  42           HG3      PRO  42  -0.664 -17.243   8.050
  312    HD2  PRO  42           HD2      PRO  42  -1.878 -14.787   8.036
  313    HD3  PRO  42           HD3      PRO  42  -0.145 -14.977   8.474
  314    H    GLY  43           H        GLY  43  -1.832 -13.542   4.678
  315    HA2  GLY  43           HA2      GLY  43  -3.588 -15.386   3.069
  316    HA3  GLY  43           HA3      GLY  43  -4.141 -13.942   3.939
  317    H    GLU  44           H        GLU  44  -4.897 -12.739   2.460
  318    HA   GLU  44           HA       GLU  44  -3.229 -11.823   0.141
  319    HB2  GLU  44           HB2      GLU  44  -6.264 -11.976   0.183
  320    HB3  GLU  44           HB3      GLU  44  -5.208 -11.573  -1.163
  321    HG2  GLU  44           HG2      GLU  44  -5.550 -13.710  -1.772
  322    HG3  GLU  44           HG3      GLU  44  -4.247 -14.072  -0.625
  323    H    HIS  45           H        HIS  45  -2.902  -9.662   0.004
  324    HA   HIS  45           HA       HIS  45  -4.481  -7.893   1.825
  325    HB2  HIS  45           HB2      HIS  45  -1.499  -8.103   1.330
  326    HB3  HIS  45           HB3      HIS  45  -2.198  -6.649   2.059
  327    HD1  HIS  45           HD1      HIS  45  -3.958  -7.414   4.307
  328    HD2  HIS  45           HD2      HIS  45  -1.037 -10.049   2.836
  329    HE1  HIS  45           HE1      HIS  45  -3.724  -9.268   6.072
  330    HE2  HIS  45           HE2      HIS  45  -1.883 -10.892   5.171
  331    H    GLY  46           H        GLY  46  -4.925  -5.827   1.369
  332    HA2  GLY  46           HA2      GLY  46  -4.806  -4.657  -1.200
  333    HA3  GLY  46           HA3      GLY  46  -4.935  -3.786   0.338
  334    H    PHE  47           H        PHE  47  -3.097  -3.554  -2.229
  335    HA   PHE  47           HA       PHE  47  -0.843  -2.473  -0.621
  336    HB2  PHE  47           HB2      PHE  47   0.530  -4.086  -1.394
  337    HB3  PHE  47           HB3      PHE  47  -0.670  -4.665  -2.561
  338    HD1  PHE  47           HD1      PHE  47   1.755  -1.779  -2.175
  339    HD2  PHE  47           HD2      PHE  47  -0.074  -4.703  -4.746
  340    HE1  PHE  47           HE1      PHE  47   3.102  -0.913  -4.153
  341    HE2  PHE  47           HE2      PHE  47   1.176  -3.750  -6.713
  342    HZ   PHE  47           HZ       PHE  47   2.657  -1.815  -6.401
  343    H    HIS  48           H        HIS  48  -1.470  -0.359  -0.841
  344    HA   HIS  48           HA       HIS  48  -1.933   0.564  -3.704
  345    HB2  HIS  48           HB2      HIS  48  -2.770   1.941  -1.135
  346    HB3  HIS  48           HB3      HIS  48  -3.221   2.426  -2.761
  347    HD2  HIS  48           HD2      HIS  48  -4.166  -0.657  -3.683
  348    HE1  HIS  48           HE1      HIS  48  -6.929  -0.268  -0.483
  349    HE2  HIS  48           HE2      HIS  48  -6.389  -1.481  -2.677
  350    H    ILE  49           H        ILE  49  -1.486   2.699  -4.234
  351    HA   ILE  49           HA       ILE  49   0.917   4.007  -3.022
  352    HB   ILE  49           HB       ILE  49  -0.435   4.243  -5.730
  353   HG12  ILE  49          HG12      ILE  49   2.476   3.599  -5.071
  354   HG13  ILE  49          HG13      ILE  49   1.240   2.334  -5.218
  355   HG21  ILE  49          HG21      ILE  49   1.907   5.932  -4.730
  356   HG22  ILE  49          HG22      ILE  49   1.141   6.005  -6.339
  357   HG23  ILE  49          HG23      ILE  49   0.235   6.504  -4.931
  358   HD11  ILE  49          HD11      ILE  49   2.094   4.224  -7.434
  359   HD12  ILE  49          HD12      ILE  49   2.444   2.497  -7.289
  360   HD13  ILE  49          HD13      ILE  49   0.772   3.034  -7.544
  361    H    HIS  50           H        HIS  50   0.705   6.034  -2.114
  362    HA   HIS  50           HA       HIS  50  -1.888   7.392  -1.995
  363    HB2  HIS  50           HB2      HIS  50  -0.253   6.300   0.322
  364    HB3  HIS  50           HB3      HIS  50  -1.309   7.691   0.511
  365    HD1  HIS  50           HD1      HIS  50  -3.673   7.189   1.210
  366    HD2  HIS  50           HD2      HIS  50  -1.808   3.966  -0.687
  367    HE1  HIS  50           HE1      HIS  50  -5.334   5.274   1.370
  368    H    ALA  51           H        ALA  51  -1.682   9.636  -1.390
  369    HA   ALA  51           HA       ALA  51   0.148  10.727  -3.158
  370    HB1  ALA  51           HB1      ALA  51  -1.658  12.208  -1.226
  371    HB2  ALA  51           HB2      ALA  51  -1.011  12.813  -2.752
  372    HB3  ALA  51           HB3      ALA  51  -2.176  11.479  -2.750
  373    H    ASN  52           H        ASN  52   0.979  10.354   0.196
  374    HA   ASN  52           HA       ASN  52   3.355  12.071  -0.383
  375    HB2  ASN  52           HB2      ASN  52   1.625  12.229   2.108
  376    HB3  ASN  52           HB3      ASN  52   3.261  12.880   2.009
  377   HD21  ASN  52          HD21      ASN  52  -0.034  13.632   1.442
  378   HD22  ASN  52          HD22      ASN  52   0.247  15.051   0.440
  379    H    GLY  53           H        GLY  53   5.255  11.251   0.162
  380    HA2  GLY  53           HA2      GLY  53   5.470   8.488   1.002
  381    HA3  GLY  53           HA3      GLY  53   6.784   9.591   0.557
  382    H    SER  54           H        SER  54   4.379   9.360   3.279
  383    HA   SER  54           HA       SER  54   6.606   9.109   5.191
  384    HB2  SER  54           HB2      SER  54   5.535  11.171   6.473
  385    HB3  SER  54           HB3      SER  54   6.880  11.291   5.354
  386    HG   SER  54           HG       SER  54   4.149  11.779   4.651
  387    H    CYS  55           H        CYS  55   6.101   7.556   6.445
  388    HA   CYS  55           HA       CYS  55   3.409   6.816   7.103
  389    HB2  CYS  55           HB2      CYS  55   6.106   5.641   7.882
  390    HB3  CYS  55           HB3      CYS  55   4.557   4.809   7.902
  391    H    GLN  56           H        GLN  56   5.088   9.201   8.468
  392    HA   GLN  56           HA       GLN  56   5.204   8.650  11.247
  393    HB2  GLN  56           HB2      GLN  56   5.108  11.224   9.630
  394    HB3  GLN  56           HB3      GLN  56   5.184  11.224  11.385
  395    HG2  GLN  56           HG2      GLN  56   7.406  11.529  10.584
  396    HG3  GLN  56           HG3      GLN  56   7.298   9.950  11.342
  397   HE21  GLN  56          HE21      GLN  56   9.381   9.593  10.139
  398   HE22  GLN  56          HE22      GLN  56   9.215   8.990   8.481
  399    HA   PRO  57           HA       PRO  57   0.844   9.642  12.265
  400    HB2  PRO  57           HB2      PRO  57   0.618   8.325  14.600
  401    HB3  PRO  57           HB3      PRO  57   0.855   7.428  13.072
  402    HG2  PRO  57           HG2      PRO  57   2.956   8.181  15.130
  403    HG3  PRO  57           HG3      PRO  57   2.676   6.587  14.356
  404    HD2  PRO  57           HD2      PRO  57   4.539   8.432  13.463
  405    HD3  PRO  57           HD3      PRO  57   3.743   7.204  12.424
  406    H    ALA  58           H        ALA  58  -0.286  10.823  13.947
  407    HA   ALA  58           HA       ALA  58   1.343  12.352  15.927
  408    HB1  ALA  58           HB1      ALA  58  -1.434  12.883  14.776
  409    HB2  ALA  58           HB2      ALA  58  -0.618  13.880  16.001
  410    HB3  ALA  58           HB3      ALA  58   0.057  13.750  14.372
  411    H    ILE  59           H        ILE  59   0.015  12.787  18.015
  412    HA   ILE  59           HA       ILE  59  -1.275  10.237  18.985
  413    HB   ILE  59           HB       ILE  59   0.422  12.068  20.707
  414   HG12  ILE  59          HG12      ILE  59   1.994  11.231  19.055
  415   HG13  ILE  59          HG13      ILE  59   2.279  10.542  20.633
  416   HG21  ILE  59          HG21      ILE  59  -0.651   9.232  21.044
  417   HG22  ILE  59          HG22      ILE  59   0.448  10.036  22.175
  418   HG23  ILE  59          HG23      ILE  59  -1.172  10.689  21.911
  419   HD11  ILE  59          HD11      ILE  59   0.917   9.098  18.326
  420   HD12  ILE  59          HD12      ILE  59   2.588   8.878  18.862
  421   HD13  ILE  59          HD13      ILE  59   1.259   8.403  19.927
  422    H    LYS  60           H        LYS  60  -3.343  10.556  19.649
  423    HA   LYS  60           HA       LYS  60  -4.309  13.162  20.688
  424    HB2  LYS  60           HB2      LYS  60  -5.229  11.945  18.035
  425    HB3  LYS  60           HB3      LYS  60  -6.065  13.241  18.890
  426    HG2  LYS  60           HG2      LYS  60  -4.069  14.705  18.628
  427    HG3  LYS  60           HG3      LYS  60  -3.281  13.424  17.678
  428    HD2  LYS  60           HD2      LYS  60  -5.155  13.468  16.052
  429    HD3  LYS  60           HD3      LYS  60  -5.917  14.790  16.974
  430    HE2  LYS  60           HE2      LYS  60  -3.924  16.205  16.620
  431    HE3  LYS  60           HE3      LYS  60  -3.107  14.881  15.787
  432    HZ1  LYS  60           HZ1      LYS  60  -5.539  16.269  14.808
  433    HZ2  LYS  60           HZ2      LYS  60  -3.987  16.322  14.185
  434    HZ3  LYS  60           HZ3      LYS  60  -4.857  14.956  14.104
  435    H    ASP  61           H        ASP  61  -6.506  13.020  21.450
  436    HA   ASP  61           HA       ASP  61  -8.381  12.031  22.350
  437    HB2  ASP  61           HB2      ASP  61  -8.589  12.388  19.888
  438    HB3  ASP  61           HB3      ASP  61  -8.195  10.687  19.628
  439    H    GLY  62           H        GLY  62  -6.065  10.409  23.243
  440    HA2  GLY  62           HA2      GLY  62  -5.858   8.519  24.604
  441    HA3  GLY  62           HA3      GLY  62  -7.496   7.992  24.124
  442    H    GLN  63           H        GLN  63  -5.209   8.691  21.576
  443    HA   GLN  63           HA       GLN  63  -4.357   5.932  21.142
  444    HB2  GLN  63           HB2      GLN  63  -5.732   5.613  19.136
  445    HB3  GLN  63           HB3      GLN  63  -6.726   5.864  20.561
  446    HG2  GLN  63           HG2      GLN  63  -6.939   8.323  19.837
  447    HG3  GLN  63           HG3      GLN  63  -6.264   7.817  18.286
  448   HE21  GLN  63          HE21      GLN  63  -9.128   8.174  20.148
  449   HE22  GLN  63          HE22      GLN  63 -10.166   7.189  19.147
  450    H    ALA  64           H        ALA  64  -3.753   6.000  18.451
  451    HA   ALA  64           HA       ALA  64  -2.197   8.463  17.972
  452    HB1  ALA  64           HB1      ALA  64  -0.991   5.665  18.117
  453    HB2  ALA  64           HB2      ALA  64  -0.157   7.123  17.534
  454    HB3  ALA  64           HB3      ALA  64  -0.675   7.011  19.228
  455    H    VAL  65           H        VAL  65  -1.879   8.909  15.860
  456    HA   VAL  65           HA       VAL  65  -4.076   7.857  14.310
  457    HB   VAL  65           HB       VAL  65  -2.266  10.170  13.532
  458   HG11  VAL  65          HG11      VAL  65  -5.189   9.502  12.854
  459   HG12  VAL  65          HG12      VAL  65  -4.397  11.038  12.462
  460   HG13  VAL  65          HG13      VAL  65  -3.852   9.563  11.692
  461   HG21  VAL  65          HG21      VAL  65  -3.145  10.583  15.822
  462   HG22  VAL  65          HG22      VAL  65  -3.930  11.635  14.659
  463   HG23  VAL  65          HG23      VAL  65  -4.783  10.202  15.270
  464    H    ALA  66           H        ALA  66  -2.323   5.860  14.351
  465    HA   ALA  66           HA       ALA  66  -1.396   4.151  13.129
  466    HB1  ALA  66           HB1      ALA  66  -3.081   5.469  10.963
  467    HB2  ALA  66           HB2      ALA  66  -2.509   3.786  10.984
  468    HB3  ALA  66           HB3      ALA  66  -3.652   4.352  12.217
  469    H    ALA  67           H        ALA  67  -1.255   6.752  10.829
  470    HA   ALA  67           HA       ALA  67   1.426   7.177  10.316
  471    HB1  ALA  67           HB1      ALA  67   0.266   4.871   8.711
  472    HB2  ALA  67           HB2      ALA  67   1.573   5.903   8.069
  473    HB3  ALA  67           HB3      ALA  67   1.817   4.968   9.550
  474    H    GLU  68           H        GLU  68   0.794   9.255  10.039
  475    HA   GLU  68           HA       GLU  68  -1.880   9.853   8.939
  476    HB2  GLU  68           HB2      GLU  68  -1.183  10.438  11.281
  477    HB3  GLU  68           HB3      GLU  68   0.069  11.486  10.619
  478    HG2  GLU  68           HG2      GLU  68  -1.760  12.849   9.514
  479    HG3  GLU  68           HG3      GLU  68  -2.947  11.825  10.333
  480    H    ALA  69           H        ALA  69   1.537  10.865   8.507
  481    HA   ALA  69           HA       ALA  69   0.957  13.011   6.678
  482    HB1  ALA  69           HB1      ALA  69   3.536  11.569   7.394
  483    HB2  ALA  69           HB2      ALA  69   3.418  13.143   6.564
  484    HB3  ALA  69           HB3      ALA  69   2.855  12.978   8.234
  485    H    ALA  70           H        ALA  70  -0.223  10.580   5.746
  486    HA   ALA  70           HA       ALA  70   1.435   9.568   3.518
  487    HB1  ALA  70           HB1      ALA  70  -1.177   8.556   4.725
  488    HB2  ALA  70           HB2      ALA  70  -0.130   7.688   3.573
  489    HB3  ALA  70           HB3      ALA  70   0.460   8.051   5.208
  490    H    GLY  71           H        GLY  71  -1.151  11.848   3.757
  491    HA2  GLY  71           HA2      GLY  71  -1.939  13.134   2.003
  492    HA3  GLY  71           HA3      GLY  71  -1.227  11.989   0.846
  493    H    GLY  72           H        GLY  72  -3.506  10.732   3.188
  494    HA2  GLY  72           HA2      GLY  72  -5.813  10.271   3.057
  495    HA3  GLY  72           HA3      GLY  72  -5.900  11.291   1.606
  496    H    HIS  73           H        HIS  73  -5.874  10.355  -0.362
  497    HA   HIS  73           HA       HIS  73  -5.053   7.507  -0.771
  498    HB2  HIS  73           HB2      HIS  73  -7.562   8.864  -1.894
  499    HB3  HIS  73           HB3      HIS  73  -6.832   7.462  -2.629
  500    HD2  HIS  73           HD2      HIS  73  -7.972   8.247   1.000
  501    HE1  HIS  73           HE1      HIS  73 -10.076   4.746  -0.088
  502    HE2  HIS  73           HE2      HIS  73  -9.654   6.469   1.748
  503    H    LEU  74           H        LEU  74  -5.964   9.175  -3.637
  504    HA   LEU  74           HA       LEU  74  -3.842  10.811  -4.162
  505    HB2  LEU  74           HB2      LEU  74  -2.323   8.842  -3.836
  506    HB3  LEU  74           HB3      LEU  74  -3.030   8.046  -5.210
  507    HG   LEU  74           HG       LEU  74  -1.743  10.812  -5.380
  508   HD11  LEU  74          HD11      LEU  74  -0.403   8.167  -6.025
  509   HD12  LEU  74          HD12      LEU  74   0.327   9.762  -6.050
  510   HD13  LEU  74          HD13      LEU  74  -0.119   9.027  -4.497
  511   HD21  LEU  74          HD21      LEU  74  -3.031  10.178  -7.420
  512   HD22  LEU  74          HD22      LEU  74  -1.300  10.108  -7.749
  513   HD23  LEU  74          HD23      LEU  74  -2.178   8.601  -7.438
  514    H    ASP  75           H        ASP  75  -5.317  11.895  -5.104
  515    HA   ASP  75           HA       ASP  75  -6.460  11.553  -7.679
  516    HB2  ASP  75           HB2      ASP  75  -8.784  11.050  -7.018
  517    HB3  ASP  75           HB3      ASP  75  -7.717   9.688  -6.782
  518    HA   PRO  76           HA       PRO  76  -7.623  15.719  -6.345
  519    HB2  PRO  76           HB2      PRO  76  -8.764  16.704  -8.602
  520    HB3  PRO  76           HB3      PRO  76  -7.021  16.312  -8.499
  521    HG2  PRO  76           HG2      PRO  76  -9.246  14.592  -9.632
  522    HG3  PRO  76           HG3      PRO  76  -7.673  14.993 -10.392
  523    HD2  PRO  76           HD2      PRO  76  -8.111  12.660  -9.017
  524    HD3  PRO  76           HD3      PRO  76  -6.530  13.494  -8.992
  525    H    GLN  77           H        GLN  77 -10.279  13.735  -7.869
  526    HA   GLN  77           HA       GLN  77 -12.133  14.629  -5.806
  527    HB2  GLN  77           HB2      GLN  77 -13.705  15.769  -7.227
  528    HB3  GLN  77           HB3      GLN  77 -12.180  16.614  -7.234
  529    HG2  GLN  77           HG2      GLN  77 -12.504  14.659  -9.466
  530    HG3  GLN  77           HG3      GLN  77 -13.709  15.926  -9.446
  531   HE21  GLN  77          HE21      GLN  77 -11.059  15.227 -11.085
  532   HE22  GLN  77          HE22      GLN  77 -10.428  16.866 -11.296
  533    H    ASN  78           H        ASN  78 -11.144  12.029  -6.775
  534    HA   ASN  78           HA       ASN  78 -13.154  10.912  -8.515
  535    HB2  ASN  78           HB2      ASN  78 -10.749   9.757  -7.064
  536    HB3  ASN  78           HB3      ASN  78 -11.779   8.802  -8.121
  537   HD21  ASN  78          HD21      ASN  78 -10.563   8.408  -9.921
  538   HD22  ASN  78          HD22      ASN  78  -9.819   9.682 -10.875
  539    H    THR  79           H        THR  79 -14.091  11.770  -5.792
  540    HA   THR  79           HA       THR  79 -15.589  11.266  -4.189
  541    HB   THR  79           HB       THR  79 -16.536   9.995  -6.423
  542    HG1  THR  79           HG1      THR  79 -18.117  10.897  -5.483
  543   HG21  THR  79          HG21      THR  79 -16.897   8.004  -4.142
  544   HG22  THR  79          HG22      THR  79 -17.640   7.956  -5.746
  545   HG23  THR  79          HG23      THR  79 -15.899   7.707  -5.590
  546    H    GLY  80           H        GLY  80 -13.354   8.617  -4.812
  547    HA2  GLY  80           HA2      GLY  80 -11.865   7.805  -3.229
  548    HA3  GLY  80           HA3      GLY  80 -12.780   8.625  -1.953
  549    H    LYS  81           H        LYS  81 -15.213   6.916  -3.228
  550    HA   LYS  81           HA       LYS  81 -15.236   5.181  -1.026
  551    HB2  LYS  81           HB2      LYS  81 -17.320   4.424  -1.676
  552    HB3  LYS  81           HB3      LYS  81 -17.222   6.096  -2.213
  553    HG2  LYS  81           HG2      LYS  81 -16.677   5.159  -4.550
  554    HG3  LYS  81           HG3      LYS  81 -17.115   3.572  -3.918
  555    HD2  LYS  81           HD2      LYS  81 -18.873   6.046  -4.140
  556    HD3  LYS  81           HD3      LYS  81 -19.027   4.587  -5.094
  557    HE2  LYS  81           HE2      LYS  81 -19.456   4.666  -2.066
  558    HE3  LYS  81           HE3      LYS  81 -20.739   5.006  -3.223
  559    HZ1  LYS  81           HZ1      LYS  81 -19.258   2.439  -3.126
  560    HZ2  LYS  81           HZ2      LYS  81 -20.732   2.671  -2.463
  561    HZ3  LYS  81           HZ3      LYS  81 -20.585   2.784  -4.072
  562    H    HIS  82           H        HIS  82 -13.871   4.440  -4.124
  563    HA   HIS  82           HA       HIS  82 -11.858   3.390  -4.175
  564    HB2  HIS  82           HB2      HIS  82 -11.914   3.245  -1.654
  565    HB3  HIS  82           HB3      HIS  82 -12.600   1.630  -1.834
  566    HD2  HIS  82           HD2      HIS  82 -11.065  -0.327  -2.473
  567    HE1  HIS  82           HE1      HIS  82  -7.364   1.664  -2.946
  568    HE2  HIS  82           HE2      HIS  82  -8.581  -0.583  -2.960
  569    H    GLU  83           H        GLU  83 -11.008   1.113  -4.811
  570    HA   GLU  83           HA       GLU  83 -12.699   0.312  -6.910
  571    HB2  GLU  83           HB2      GLU  83 -10.221   0.417  -6.877
  572    HB3  GLU  83           HB3      GLU  83 -10.191  -1.136  -6.028
  573    HG2  GLU  83           HG2      GLU  83 -11.153  -2.270  -7.915
  574    HG3  GLU  83           HG3      GLU  83 -11.704  -0.760  -8.648
  575    H    GLY  84           H        GLY  84 -13.632  -1.574  -7.532
  576    HA2  GLY  84           HA2      GLY  84 -14.295  -3.716  -5.643
  577    HA3  GLY  84           HA3      GLY  84 -15.594  -2.595  -5.974
  578    HA   PRO  85           HA       PRO  85 -15.744  -5.768  -9.356
  579    HB2  PRO  85           HB2      PRO  85 -18.454  -6.142  -9.446
  580    HB3  PRO  85           HB3      PRO  85 -17.383  -6.964  -8.265
  581    HG2  PRO  85           HG2      PRO  85 -19.070  -4.481  -7.838
  582    HG3  PRO  85           HG3      PRO  85 -18.916  -5.916  -6.780
  583    HD2  PRO  85           HD2      PRO  85 -17.494  -3.614  -6.358
  584    HD3  PRO  85           HD3      PRO  85 -16.822  -5.222  -5.979
  585    H    GLU  86           H        GLU  86 -18.049  -3.028  -8.942
  586    HA   GLU  86           HA       GLU  86 -17.437  -2.132 -11.721
  587    HB2  GLU  86           HB2      GLU  86 -19.666  -1.287 -11.915
  588    HB3  GLU  86           HB3      GLU  86 -19.761  -2.960 -11.357
  589    HG2  GLU  86           HG2      GLU  86 -19.960  -1.927  -8.960
  590    HG3  GLU  86           HG3      GLU  86 -20.295  -0.413  -9.788
  591    H    GLY  87           H        GLY  87 -16.663  -1.429  -8.606
  592    HA2  GLY  87           HA2      GLY  87 -17.131   1.511  -8.640
  593    HA3  GLY  87           HA3      GLY  87 -16.716   0.511  -7.239
  594    H    GLN  88           H        GLN  88 -15.472   2.868  -7.569
  595    HA   GLN  88           HA       GLN  88 -12.673   2.198  -7.703
  596    HB2  GLN  88           HB2      GLN  88 -13.841   3.027 -10.139
  597    HB3  GLN  88           HB3      GLN  88 -13.082   4.474  -9.517
  598    HG2  GLN  88           HG2      GLN  88 -11.686   1.760  -9.798
  599    HG3  GLN  88           HG3      GLN  88 -11.665   3.003 -11.041
  600   HE21  GLN  88          HE21      GLN  88  -9.417   1.763  -9.189
  601   HE22  GLN  88          HE22      GLN  88  -8.689   3.253  -8.571
  602    H    GLY  89           H        GLY  89 -11.465   4.552  -7.436
  603    HA2  GLY  89           HA2      GLY  89 -12.884   6.576  -6.097
  604    HA3  GLY  89           HA3      GLY  89 -12.285   5.501  -4.853
  605    H    HIS  90           H        HIS  90  -9.777   5.005  -6.707
  606    HA   HIS  90           HA       HIS  90  -8.663   7.565  -7.125
  607    HB2  HIS  90           HB2      HIS  90  -7.101   7.898  -5.545
  608    HB3  HIS  90           HB3      HIS  90  -8.399   7.313  -4.571
  609    HD2  HIS  90           HD2      HIS  90  -4.826   6.940  -5.237
  610    HE1  HIS  90           HE1      HIS  90  -5.700   3.875  -2.451
  611    HE2  HIS  90           HE2      HIS  90  -3.845   5.226  -3.576
  612    H    LEU  91           H        LEU  91  -6.547   7.560  -8.183
  613    HA   LEU  91           HA       LEU  91  -6.410   5.282  -9.955
  614    HB2  LEU  91           HB2      LEU  91  -4.883   6.525 -11.232
  615    HB3  LEU  91           HB3      LEU  91  -6.058   7.652 -10.599
  616    HG   LEU  91           HG       LEU  91  -4.175   8.006  -8.699
  617   HD11  LEU  91          HD11      LEU  91  -2.572   7.130 -11.156
  618   HD12  LEU  91          HD12      LEU  91  -1.900   7.977  -9.755
  619   HD13  LEU  91          HD13      LEU  91  -2.547   6.349  -9.563
  620   HD21  LEU  91          HD21      LEU  91  -5.092   9.768 -10.142
  621   HD22  LEU  91          HD22      LEU  91  -3.332   9.917 -10.032
  622   HD23  LEU  91          HD23      LEU  91  -4.069   9.222 -11.493
  623    H    GLY  92           H        GLY  92  -4.828   5.910  -6.996
  624    HA2  GLY  92           HA2      GLY  92  -2.747   3.843  -7.379
  625    HA3  GLY  92           HA3      GLY  92  -3.006   4.846  -5.931
  626    H    ASP  93           H        ASP  93  -6.018   3.530  -6.867
  627    HA   ASP  93           HA       ASP  93  -5.971   1.305  -4.982
  628    HB2  ASP  93           HB2      ASP  93  -7.912   1.816  -7.249
  629    HB3  ASP  93           HB3      ASP  93  -8.137   0.745  -5.895
  630    H    LEU  94           H        LEU  94  -5.584  -0.903  -5.566
  631    HA   LEU  94           HA       LEU  94  -4.097  -1.377  -8.091
  632    HB2  LEU  94           HB2      LEU  94  -2.996  -0.431  -5.518
  633    HB3  LEU  94           HB3      LEU  94  -2.321  -1.987  -5.959
  634    HG   LEU  94           HG       LEU  94  -1.181  -1.200  -7.736
  635   HD11  LEU  94          HD11      LEU  94  -2.725   1.415  -7.692
  636   HD12  LEU  94          HD12      LEU  94  -1.303   1.097  -8.696
  637   HD13  LEU  94          HD13      LEU  94  -2.785   0.172  -8.961
  638   HD21  LEU  94          HD21      LEU  94  -0.283  -0.528  -5.538
  639   HD22  LEU  94          HD22      LEU  94   0.249   0.506  -6.866
  640   HD23  LEU  94          HD23      LEU  94  -1.025   1.075  -5.770
  641    HA   PRO  95           HA       PRO  95  -5.256  -5.535  -7.283
  642    HB2  PRO  95           HB2      PRO  95  -3.274  -7.084  -8.348
  643    HB3  PRO  95           HB3      PRO  95  -4.326  -6.035  -9.350
  644    HG2  PRO  95           HG2      PRO  95  -1.548  -5.419  -8.291
  645    HG3  PRO  95           HG3      PRO  95  -2.163  -5.224  -9.964
  646    HD2  PRO  95           HD2      PRO  95  -2.072  -3.162  -8.181
  647    HD3  PRO  95           HD3      PRO  95  -3.392  -3.296  -9.387
  648    H    VAL  96           H        VAL  96  -4.954  -7.409  -5.965
  649    HA   VAL  96           HA       VAL  96  -3.728  -6.668  -3.504
  650    HB   VAL  96           HB       VAL  96  -4.565  -8.829  -2.586
  651   HG11  VAL  96          HG11      VAL  96  -6.612  -7.148  -4.089
  652   HG12  VAL  96          HG12      VAL  96  -6.910  -8.162  -2.661
  653   HG13  VAL  96          HG13      VAL  96  -5.872  -6.734  -2.527
  654   HG21  VAL  96          HG21      VAL  96  -4.518 -10.248  -4.598
  655   HG22  VAL  96          HG22      VAL  96  -6.134 -10.174  -3.887
  656   HG23  VAL  96          HG23      VAL  96  -5.774  -9.238  -5.353
  657    H    LEU  97           H        LEU  97  -2.159  -7.331  -2.378
  658    HA   LEU  97           HA       LEU  97   0.125  -8.772  -3.459
  659    HB2  LEU  97           HB2      LEU  97   0.225  -6.680  -2.043
  660    HB3  LEU  97           HB3      LEU  97  -0.473  -7.558  -0.715
  661    HG   LEU  97           HG       LEU  97   1.487  -9.005  -0.592
  662   HD11  LEU  97          HD11      LEU  97   2.493  -7.426  -2.974
  663   HD12  LEU  97          HD12      LEU  97   3.537  -8.427  -1.940
  664   HD13  LEU  97          HD13      LEU  97   2.236  -9.182  -2.865
  665   HD21  LEU  97          HD21      LEU  97   1.479  -6.912   0.672
  666   HD22  LEU  97          HD22      LEU  97   3.124  -7.312   0.150
  667   HD23  LEU  97          HD23      LEU  97   2.210  -6.057  -0.710
  668    H    VAL  98           H        VAL  98  -0.441 -10.924  -3.688
  669    HA   VAL  98           HA       VAL  98  -1.678 -12.503  -1.592
  670    HB   VAL  98           HB       VAL  98  -0.136 -13.356  -4.071
  671   HG11  VAL  98          HG11      VAL  98  -1.817 -15.028  -2.134
  672   HG12  VAL  98          HG12      VAL  98  -1.231 -15.587  -3.717
  673   HG13  VAL  98          HG13      VAL  98  -0.074 -15.206  -2.441
  674   HG21  VAL  98          HG21      VAL  98  -2.230 -12.154  -4.579
  675   HG22  VAL  98          HG22      VAL  98  -2.417 -13.873  -4.942
  676   HG23  VAL  98          HG23      VAL  98  -3.126 -13.199  -3.456
  677    H    VAL  99           H        VAL  99  -0.826 -13.514   0.072
  678    HA   VAL  99           HA       VAL  99   2.128 -13.745   0.464
  679    HB   VAL  99           HB       VAL  99   0.002 -13.525   2.656
  680   HG11  VAL  99          HG11      VAL  99   2.976 -13.088   2.677
  681   HG12  VAL  99          HG12      VAL  99   1.875 -12.765   4.037
  682   HG13  VAL  99          HG13      VAL  99   2.098 -14.435   3.420
  683   HG21  VAL  99          HG21      VAL  99  -0.112 -11.393   1.473
  684   HG22  VAL  99          HG22      VAL  99   0.688 -11.219   3.044
  685   HG23  VAL  99          HG23      VAL  99   1.659 -11.226   1.551
  686    H    ASN 100           H        ASN 100   2.768 -15.905   1.113
  687    HA   ASN 100           HA       ASN 100   0.646 -17.919   0.674
  688    HB2  ASN 100           HB2      ASN 100   2.217 -19.308  -0.009
  689    HB3  ASN 100           HB3      ASN 100   3.245 -17.887  -0.130
  690   HD21  ASN 100          HD21      ASN 100   4.836 -17.540   1.581
  691   HD22  ASN 100          HD22      ASN 100   5.314 -18.915   2.595
  692    H    ASN 101           H        ASN 101   0.150 -19.590   2.117
  693    HA   ASN 101           HA       ASN 101  -0.622 -18.965   4.626
  694    HB2  ASN 101           HB2      ASN 101  -1.392 -21.092   4.819
  695    HB3  ASN 101           HB3      ASN 101  -1.288 -20.866   3.074
  696   HD21  ASN 101          HD21      ASN 101   1.668 -21.296   2.865
  697   HD22  ASN 101          HD22      ASN 101   1.984 -22.870   3.507
  698    H    ASP 102           H        ASP 102   2.673 -19.670   3.979
  699    HA   ASP 102           HA       ASP 102   3.456 -20.696   6.610
  700    HB2  ASP 102           HB2      ASP 102   4.369 -21.339   4.315
  701    HB3  ASP 102           HB3      ASP 102   5.110 -19.738   4.246
  702    H    GLY 103           H        GLY 103   3.078 -17.576   5.115
  703    HA2  GLY 103           HA2      GLY 103   3.171 -15.544   6.411
  704    HA3  GLY 103           HA3      GLY 103   4.538 -16.189   7.342
  705    H    ILE 104           H        ILE 104   4.804 -16.729   3.963
  706    HA   ILE 104           HA       ILE 104   6.695 -14.411   3.684
  707    HB   ILE 104           HB       ILE 104   6.912 -17.122   2.288
  708   HG12  ILE 104          HG12      ILE 104   8.579 -16.301   4.693
  709   HG13  ILE 104          HG13      ILE 104   7.249 -17.424   4.761
  710   HG21  ILE 104          HG21      ILE 104   9.012 -14.935   2.554
  711   HG22  ILE 104          HG22      ILE 104   9.154 -16.443   1.638
  712   HG23  ILE 104          HG23      ILE 104   8.017 -15.224   1.114
  713   HD11  ILE 104          HD11      ILE 104   9.852 -17.832   3.261
  714   HD12  ILE 104          HD12      ILE 104   9.252 -18.697   4.681
  715   HD13  ILE 104          HD13      ILE 104   8.435 -18.907   3.123
  716    H    ALA 105           H        ALA 105   6.545 -13.139   1.906
  717    HA   ALA 105           HA       ALA 105   4.552 -13.876  -0.218
  718    HB1  ALA 105           HB1      ALA 105   5.512 -11.123   0.684
  719    HB2  ALA 105           HB2      ALA 105   4.387 -11.449  -0.653
  720    HB3  ALA 105           HB3      ALA 105   3.910 -11.837   1.001
  721    H    THR 106           H        THR 106   5.423 -14.379  -2.140
  722    HA   THR 106           HA       THR 106   7.822 -12.957  -3.128
  723    HB   THR 106           HB       THR 106   8.648 -14.967  -1.973
  724    HG1  THR 106           HG1      THR 106   8.832 -14.670  -4.751
  725   HG21  THR 106          HG21      THR 106   7.142 -16.482  -4.165
  726   HG22  THR 106          HG22      THR 106   8.389 -17.158  -3.111
  727   HG23  THR 106          HG23      THR 106   6.861 -16.597  -2.413
  728    H    GLU 107           H        GLU 107   4.810 -13.218  -3.832
  729    HA   GLU 107           HA       GLU 107   4.858 -14.402  -6.501
  730    HB2  GLU 107           HB2      GLU 107   2.662 -13.061  -4.901
  731    HB3  GLU 107           HB3      GLU 107   2.440 -13.789  -6.491
  732    HG2  GLU 107           HG2      GLU 107   3.386 -15.312  -4.012
  733    HG3  GLU 107           HG3      GLU 107   1.720 -15.234  -4.581
  734    HA   PRO 108           HA       PRO 108   5.637 -10.213  -8.218
  735    HB2  PRO 108           HB2      PRO 108   6.055 -10.904 -10.821
  736    HB3  PRO 108           HB3      PRO 108   7.277 -11.144  -9.543
  737    HG2  PRO 108           HG2      PRO 108   5.300 -13.169 -10.639
  738    HG3  PRO 108           HG3      PRO 108   7.060 -13.371 -10.371
  739    HD2  PRO 108           HD2      PRO 108   5.213 -14.239  -8.573
  740    HD3  PRO 108           HD3      PRO 108   6.782 -13.563  -8.041
  741    H    VAL 109           H        VAL 109   4.191  -8.746  -8.846
  742    HA   VAL 109           HA       VAL 109   1.963  -9.392 -10.704
  743    HB   VAL 109           HB       VAL 109   0.339  -8.176  -9.340
  744   HG11  VAL 109          HG11      VAL 109   1.493 -10.503  -7.747
  745   HG12  VAL 109          HG12      VAL 109  -0.167  -9.879  -7.700
  746   HG13  VAL 109          HG13      VAL 109   0.444 -10.644  -9.178
  747   HG21  VAL 109          HG21      VAL 109   1.781  -6.737  -7.978
  748   HG22  VAL 109          HG22      VAL 109   0.714  -7.693  -6.952
  749   HG23  VAL 109          HG23      VAL 109   2.421  -8.147  -7.103
  750    H    THR 110           H        THR 110   0.856  -7.224 -11.433
  751    HA   THR 110           HA       THR 110   2.791  -4.958 -11.449
  752    HB   THR 110           HB       THR 110   1.564  -6.189 -13.954
  753    HG1  THR 110           HG1      THR 110   3.545  -6.995 -14.337
  754   HG21  THR 110          HG21      THR 110   3.693  -4.007 -13.635
  755   HG22  THR 110          HG22      THR 110   3.176  -4.737 -15.168
  756   HG23  THR 110          HG23      THR 110   2.035  -3.771 -14.233
  757    H    ALA 111           H        ALA 111   1.954  -2.956 -11.670
  758    HA   ALA 111           HA       ALA 111  -1.026  -2.699 -11.674
  759    HB1  ALA 111           HB1      ALA 111   1.112  -0.986 -10.370
  760    HB2  ALA 111           HB2      ALA 111  -0.640  -0.703 -10.301
  761    HB3  ALA 111           HB3      ALA 111   0.057  -2.168  -9.571
  762    HA   PRO 112           HA       PRO 112  -0.008  -0.383 -15.529
  763    HB2  PRO 112           HB2      PRO 112  -2.226  -0.996 -16.990
  764    HB3  PRO 112           HB3      PRO 112  -0.941  -2.194 -16.678
  765    HG2  PRO 112           HG2      PRO 112  -3.523  -1.812 -15.124
  766    HG3  PRO 112           HG3      PRO 112  -2.884  -3.327 -15.843
  767    HD2  PRO 112           HD2      PRO 112  -2.474  -2.696 -13.235
  768    HD3  PRO 112           HD3      PRO 112  -1.207  -3.515 -14.195
  769    H    ARG 113           H        ARG 113  -1.515   0.651 -12.999
  770    HA   ARG 113           HA       ARG 113  -3.313   2.712 -14.060
  771    HB2  ARG 113           HB2      ARG 113  -1.899   2.348 -11.385
  772    HB3  ARG 113           HB3      ARG 113  -3.065   3.623 -11.731
  773    HG2  ARG 113           HG2      ARG 113  -3.712   0.638 -11.888
  774    HG3  ARG 113           HG3      ARG 113  -3.933   1.629 -10.449
  775    HD2  ARG 113           HD2      ARG 113  -5.486   3.108 -11.652
  776    HD3  ARG 113           HD3      ARG 113  -5.308   2.136 -13.115
  777    HE   ARG 113           HE       ARG 113  -6.564   1.280 -10.536
  778   HH11  ARG 113          HH11      ARG 113  -6.095   0.481 -14.017
  779   HH12  ARG 113          HH12      ARG 113  -7.221  -0.850 -13.871
  780   HH21  ARG 113          HH21      ARG 113  -8.112  -0.303 -10.573
  781   HH22  ARG 113          HH22      ARG 113  -8.322  -1.256 -11.995
  782    H    LEU 114           H        LEU 114   0.096   2.377 -13.335
  783    HA   LEU 114           HA       LEU 114   0.755   5.222 -14.009
  784    HB2  LEU 114           HB2      LEU 114   2.266   3.038 -12.499
  785    HB3  LEU 114           HB3      LEU 114   2.958   4.584 -12.938
  786    HG   LEU 114           HG       LEU 114   2.433   4.596 -10.630
  787   HD11  LEU 114          HD11      LEU 114   0.426   6.380 -12.019
  788   HD12  LEU 114          HD12      LEU 114   1.147   6.589 -10.401
  789   HD13  LEU 114          HD13      LEU 114   2.173   6.676 -11.839
  790   HD21  LEU 114          HD21      LEU 114   0.548   2.915 -10.636
  791   HD22  LEU 114          HD22      LEU 114   0.330   4.330  -9.590
  792   HD23  LEU 114          HD23      LEU 114  -0.527   4.254 -11.126
  793    H    LYS 115           H        LYS 115   2.824   5.431 -15.306
  794    HA   LYS 115           HA       LYS 115   3.345   3.098 -17.115
  795    HB2  LYS 115           HB2      LYS 115   2.505   5.906 -17.952
  796    HB3  LYS 115           HB3      LYS 115   3.430   4.844 -19.006
  797    HG2  LYS 115           HG2      LYS 115   1.387   4.264 -19.745
  798    HG3  LYS 115           HG3      LYS 115   1.554   3.067 -18.468
  799    HD2  LYS 115           HD2      LYS 115   0.276   4.885 -17.000
  800    HD3  LYS 115           HD3      LYS 115  -0.153   5.579 -18.553
  801    HE2  LYS 115           HE2      LYS 115  -0.686   2.712 -17.627
  802    HE3  LYS 115           HE3      LYS 115  -1.881   4.014 -17.671
  803    HZ1  LYS 115           HZ1      LYS 115  -0.500   2.905 -20.065
  804    HZ2  LYS 115           HZ2      LYS 115  -2.052   2.597 -19.640
  805    HZ3  LYS 115           HZ3      LYS 115  -1.622   4.103 -20.086
  806    H    SER 116           H        SER 116   4.725   5.269 -15.039
  807    HA   SER 116           HA       SER 116   7.415   4.441 -15.957
  808    HB2  SER 116           HB2      SER 116   8.265   6.732 -15.781
  809    HB3  SER 116           HB3      SER 116   6.991   6.638 -17.001
  810    HG   SER 116           HG       SER 116   5.531   7.354 -15.212
  811    H    LEU 117           H        LEU 117   9.076   4.960 -14.182
  812    HA   LEU 117           HA       LEU 117   7.913   4.463 -11.506
  813    HB2  LEU 117           HB2      LEU 117   9.850   3.145 -12.355
  814    HB3  LEU 117           HB3      LEU 117  10.794   4.626 -12.503
  815    HG   LEU 117           HG       LEU 117  10.735   4.928 -10.065
  816   HD11  LEU 117          HD11      LEU 117   9.191   2.292 -10.005
  817   HD12  LEU 117          HD12      LEU 117   9.917   3.069  -8.584
  818   HD13  LEU 117          HD13      LEU 117   8.599   3.871  -9.442
  819   HD21  LEU 117          HD21      LEU 117  12.553   3.622 -11.121
  820   HD22  LEU 117          HD22      LEU 117  12.206   3.035  -9.486
  821   HD23  LEU 117          HD23      LEU 117  11.617   2.128 -10.896
  822    H    ASP 118           H        ASP 118   9.919   6.927 -13.135
  823    HA   ASP 118           HA       ASP 118  10.456   8.585 -11.004
  824    HB2  ASP 118           HB2      ASP 118   9.966   9.425 -13.889
  825    HB3  ASP 118           HB3      ASP 118  10.945  10.278 -12.691
  826    H    GLU 119           H        GLU 119   7.379   8.396 -12.707
  827    HA   GLU 119           HA       GLU 119   6.381  10.926 -11.747
  828    HB2  GLU 119           HB2      GLU 119   4.318  10.339 -12.696
  829    HB3  GLU 119           HB3      GLU 119   5.560   9.742 -13.781
  830    HG2  GLU 119           HG2      GLU 119   5.265   7.447 -12.707
  831    HG3  GLU 119           HG3      GLU 119   3.890   8.120 -11.828
  832    H    VAL 120           H        VAL 120   6.894   7.982 -10.041
  833    HA   VAL 120           HA       VAL 120   5.141   8.980  -7.817
  834    HB   VAL 120           HB       VAL 120   4.882   6.691  -6.990
  835   HG11  VAL 120          HG11      VAL 120   3.889   6.969  -9.839
  836   HG12  VAL 120          HG12      VAL 120   3.208   5.955  -8.559
  837   HG13  VAL 120          HG13      VAL 120   3.150   7.719  -8.405
  838   HG21  VAL 120          HG21      VAL 120   6.921   5.665  -8.090
  839   HG22  VAL 120          HG22      VAL 120   5.430   4.731  -8.256
  840   HG23  VAL 120          HG23      VAL 120   6.024   5.686  -9.626
  841    H    LYS 121           H        LYS 121   8.106   9.337  -8.574
  842    HA   LYS 121           HA       LYS 121   9.895   8.107  -6.852
  843    HB2  LYS 121           HB2      LYS 121  11.309  10.074  -7.293
  844    HB3  LYS 121           HB3      LYS 121  10.443   9.576  -8.751
  845    HG2  LYS 121           HG2      LYS 121   8.697  11.339  -8.236
  846    HG3  LYS 121           HG3      LYS 121   9.700  11.886  -6.890
  847    HD2  LYS 121           HD2      LYS 121  11.332  12.795  -8.298
  848    HD3  LYS 121           HD3      LYS 121  10.869  11.777  -9.671
  849    HE2  LYS 121           HE2      LYS 121  10.133  14.147  -9.959
  850    HE3  LYS 121           HE3      LYS 121   8.829  12.958 -10.035
  851    HZ1  LYS 121           HZ1      LYS 121   9.438  14.587  -7.638
  852    HZ2  LYS 121           HZ2      LYS 121   8.213  14.869  -8.701
  853    HZ3  LYS 121           HZ3      LYS 121   8.193  13.525  -7.771
  854    H    ASP 122           H        ASP 122   7.517  10.363  -5.784
  855    HA   ASP 122           HA       ASP 122   8.903  10.829  -3.168
  856    HB2  ASP 122           HB2      ASP 122   7.671  13.017  -3.187
  857    HB3  ASP 122           HB3      ASP 122   8.871  12.832  -4.453
  858    H    LYS 123           H        LYS 123   6.721   8.779  -4.148
  859    HA   LYS 123           HA       LYS 123   4.548   9.471  -2.230
  860    HB2  LYS 123           HB2      LYS 123   4.604   7.523  -4.580
  861    HB3  LYS 123           HB3      LYS 123   3.201   7.892  -3.587
  862    HG2  LYS 123           HG2      LYS 123   4.633   9.770  -5.511
  863    HG3  LYS 123           HG3      LYS 123   2.986   9.130  -5.608
  864    HD2  LYS 123           HD2      LYS 123   2.615  10.314  -3.328
  865    HD3  LYS 123           HD3      LYS 123   4.083  11.227  -3.678
  866    HE2  LYS 123           HE2      LYS 123   1.606  11.061  -5.414
  867    HE3  LYS 123           HE3      LYS 123   1.958  12.373  -4.285
  868    HZ1  LYS 123           HZ1      LYS 123   3.486  11.822  -6.748
  869    HZ2  LYS 123           HZ2      LYS 123   2.636  13.171  -6.323
  870    HZ3  LYS 123           HZ3      LYS 123   4.041  12.789  -5.542
  871    H    ALA 124           H        ALA 124   3.322   7.595  -1.294
  872    HA   ALA 124           HA       ALA 124   5.233   5.722   0.043
  873    HB1  ALA 124           HB1      ALA 124   2.405   6.608   0.770
  874    HB2  ALA 124           HB2      ALA 124   3.357   5.380   1.633
  875    HB3  ALA 124           HB3      ALA 124   3.914   7.054   1.600
  876    H    LEU 125           H        LEU 125   5.242   3.681  -0.431
  877    HA   LEU 125           HA       LEU 125   2.948   2.210  -1.673
  878    HB2  LEU 125           HB2      LEU 125   5.655   1.231  -0.679
  879    HB3  LEU 125           HB3      LEU 125   4.510   0.317  -1.646
  880    HG   LEU 125           HG       LEU 125   5.958   2.804  -2.637
  881   HD11  LEU 125          HD11      LEU 125   6.775  -0.102  -2.908
  882   HD12  LEU 125          HD12      LEU 125   7.558   1.296  -3.701
  883   HD13  LEU 125          HD13      LEU 125   7.577   1.141  -1.944
  884   HD21  LEU 125          HD21      LEU 125   3.876   2.147  -3.868
  885   HD22  LEU 125          HD22      LEU 125   5.342   2.019  -4.861
  886   HD23  LEU 125          HD23      LEU 125   4.612   0.563  -4.176
  887    H    MET 126           H        MET 126   1.559   1.202  -0.158
  888    HA   MET 126           HA       MET 126   2.777   0.500   2.512
  889    HB2  MET 126           HB2      MET 126   0.176   1.975   2.037
  890    HB3  MET 126           HB3      MET 126   0.517   1.098   3.540
  891    HG2  MET 126           HG2      MET 126   2.464   2.469   3.977
  892    HG3  MET 126           HG3      MET 126   2.327   3.268   2.421
  893    HE1  MET 126           HE1      MET 126   2.716   5.476   3.779
  894    HE2  MET 126           HE2      MET 126   1.650   6.068   5.055
  895    HE3  MET 126           HE3      MET 126   2.649   4.623   5.321
  896    H    ILE 127           H        ILE 127   2.413  -1.453   3.237
  897    HA   ILE 127           HA       ILE 127   0.572  -3.319   1.776
  898    HB   ILE 127           HB       ILE 127   2.393  -3.849   4.162
  899   HG12  ILE 127          HG12      ILE 127   2.698  -4.499   1.196
  900   HG13  ILE 127          HG13      ILE 127   3.677  -3.389   2.148
  901   HG21  ILE 127          HG21      ILE 127   0.688  -5.738   2.475
  902   HG22  ILE 127          HG22      ILE 127   1.823  -6.241   3.749
  903   HG23  ILE 127          HG23      ILE 127   0.400  -5.309   4.167
  904   HD11  ILE 127          HD11      ILE 127   3.645  -6.405   2.415
  905   HD12  ILE 127          HD12      ILE 127   4.948  -5.379   1.812
  906   HD13  ILE 127          HD13      ILE 127   4.498  -5.305   3.527
  907    H    HIS 128           H        HIS 128  -1.458  -3.275   2.281
  908    HA   HIS 128           HA       HIS 128  -2.391  -1.931   4.730
  909    HB2  HIS 128           HB2      HIS 128  -3.695  -2.868   2.159
  910    HB3  HIS 128           HB3      HIS 128  -4.615  -2.250   3.482
  911    HD1  HIS 128           HD1      HIS 128  -1.406  -0.714   1.991
  912    HD2  HIS 128           HD2      HIS 128  -5.465   0.007   2.712
  913    HE1  HIS 128           HE1      HIS 128  -1.850   1.660   1.163
  914    H    VAL 129           H        VAL 129  -3.736  -2.861   6.284
  915    HA   VAL 129           HA       VAL 129  -3.265  -5.665   6.863
  916    HB   VAL 129           HB       VAL 129  -5.146  -3.638   8.106
  917   HG11  VAL 129          HG11      VAL 129  -4.455  -6.442   9.100
  918   HG12  VAL 129          HG12      VAL 129  -5.271  -5.195  10.071
  919   HG13  VAL 129          HG13      VAL 129  -6.067  -5.846   8.637
  920   HG21  VAL 129          HG21      VAL 129  -2.714  -3.165   8.394
  921   HG22  VAL 129          HG22      VAL 129  -3.447  -3.615   9.935
  922   HG23  VAL 129          HG23      VAL 129  -2.467  -4.795   9.039
  923    H    GLY 130           H        GLY 130  -6.035  -3.856   5.489
  924    HA2  GLY 130           HA2      GLY 130  -7.768  -6.168   5.165
  925    HA3  GLY 130           HA3      GLY 130  -7.939  -4.576   4.397
  926    H    GLY 131           H        GLY 131  -8.590  -5.671   2.527
  927    HA2  GLY 131           HA2      GLY 131  -6.591  -7.150   0.869
  928    HA3  GLY 131           HA3      GLY 131  -8.333  -7.451   0.860
  929    H    ASP 132           H        ASP 132  -8.525  -6.920  -1.343
  930    HA   ASP 132           HA       ASP 132  -9.559  -4.297  -1.446
  931    HB2  ASP 132           HB2      ASP 132  -7.118  -3.936  -2.177
  932    HB3  ASP 132           HB3      ASP 132  -7.532  -4.768  -3.646
  933    H    ASN 133           H        ASN 133 -10.934  -3.970  -3.215
  934    HA   ASN 133           HA       ASN 133 -12.577  -4.672  -4.745
  935    HB2  ASN 133           HB2      ASN 133 -11.732  -6.942  -5.181
  936    HB3  ASN 133           HB3      ASN 133 -12.362  -7.484  -3.614
  937   HD21  ASN 133          HD21      ASN 133 -13.762  -9.049  -4.649
  938   HD22  ASN 133          HD22      ASN 133 -15.217  -8.483  -5.463
  939    H    MET 134           H        MET 134 -13.177  -3.042  -3.103
  940    HA   MET 134           HA       MET 134 -15.326  -3.748  -1.273
  941    HB2  MET 134           HB2      MET 134 -14.042  -3.085   0.805
  942    HB3  MET 134           HB3      MET 134 -13.807  -4.685   0.135
  943    HG2  MET 134           HG2      MET 134 -11.681  -3.827  -0.983
  944    HG3  MET 134           HG3      MET 134 -11.890  -2.343  -0.085
  945    HE1  MET 134           HE1      MET 134 -11.024  -6.097  -0.125
  946    HE2  MET 134           HE2      MET 134 -10.800  -6.531   1.584
  947    HE3  MET 134           HE3      MET 134 -12.424  -6.217   0.958
  948    H    SER 135           H        SER 135 -16.002  -2.278  -2.890
  949    HA   SER 135           HA       SER 135 -15.301   0.557  -2.705
  950    HB2  SER 135           HB2      SER 135 -16.707   0.631  -4.753
  951    HB3  SER 135           HB3      SER 135 -15.483  -0.638  -4.847
  952    HG   SER 135           HG       SER 135 -18.223  -1.011  -4.180
  953    H    ASP 136           H        ASP 136 -17.489  -1.158  -0.838
  954    HA   ASP 136           HA       ASP 136 -19.452   0.965  -0.589
  955    HB2  ASP 136           HB2      ASP 136 -20.025  -0.097  -2.841
  956    HB3  ASP 136           HB3      ASP 136 -20.449  -1.563  -1.962
  957    H    GLN 137           H        GLN 137 -18.327   0.390   1.470
  958    HA   GLN 137           HA       GLN 137 -20.008  -1.489   3.046
  959    HB2  GLN 137           HB2      GLN 137 -16.960  -1.223   3.023
  960    HB3  GLN 137           HB3      GLN 137 -17.837  -1.873   4.401
  961    HG2  GLN 137           HG2      GLN 137 -17.107  -3.750   3.163
  962    HG3  GLN 137           HG3      GLN 137 -18.844  -3.626   2.921
  963   HE21  GLN 137          HE21      GLN 137 -18.983  -4.704   0.899
  964   HE22  GLN 137          HE22      GLN 137 -18.150  -4.112  -0.523
  965    HA   PRO 138           HA       PRO 138 -20.888   2.050   5.358
  966    HB2  PRO 138           HB2      PRO 138 -21.050   1.203   8.000
  967    HB3  PRO 138           HB3      PRO 138 -22.269   0.864   6.737
  968    HG2  PRO 138           HG2      PRO 138 -19.998  -0.919   7.656
  969    HG3  PRO 138           HG3      PRO 138 -21.720  -1.352   7.400
  970    HD2  PRO 138           HD2      PRO 138 -19.875  -1.881   5.509
  971    HD3  PRO 138           HD3      PRO 138 -21.483  -1.253   5.035
  972    H    LYS 139           H        LYS 139 -18.130   0.261   6.773
  973    HA   LYS 139           HA       LYS 139 -16.651   2.851   6.800
  974    HB2  LYS 139           HB2      LYS 139 -15.657   0.125   7.681
  975    HB3  LYS 139           HB3      LYS 139 -14.800   1.650   7.803
  976    HG2  LYS 139           HG2      LYS 139 -17.277   0.828   9.394
  977    HG3  LYS 139           HG3      LYS 139 -15.616   0.815   9.940
  978    HD2  LYS 139           HD2      LYS 139 -16.358   2.693  10.944
  979    HD3  LYS 139           HD3      LYS 139 -15.633   3.396   9.499
  980    HE2  LYS 139           HE2      LYS 139 -17.826   3.742   8.498
  981    HE3  LYS 139           HE3      LYS 139 -18.593   2.683   9.681
  982    HZ1  LYS 139           HZ1      LYS 139 -17.419   5.339  10.338
  983    HZ2  LYS 139           HZ2      LYS 139 -18.997   4.999  10.221
  984    HZ3  LYS 139           HZ3      LYS 139 -18.093   4.310  11.410
  985    HA   PRO 140           HA       PRO 140 -15.983   1.217   2.593
  986    HB2  PRO 140           HB2      PRO 140 -14.651   3.335   1.470
  987    HB3  PRO 140           HB3      PRO 140 -16.414   3.334   1.784
  988    HG2  PRO 140           HG2      PRO 140 -14.214   4.495   3.525
  989    HG3  PRO 140           HG3      PRO 140 -15.737   5.283   2.998
  990    HD2  PRO 140           HD2      PRO 140 -15.504   4.108   5.434
  991    HD3  PRO 140           HD3      PRO 140 -17.031   3.985   4.504
  992    H    LEU 141           H        LEU 141 -14.062   0.690   1.189
  993    HA   LEU 141           HA       LEU 141 -12.175  -0.519   0.995
  994    HB2  LEU 141           HB2      LEU 141 -11.307   1.892   1.779
  995    HB3  LEU 141           HB3      LEU 141 -10.729   0.993   3.172
  996    HG   LEU 141           HG       LEU 141 -10.048   0.391   0.256
  997   HD11  LEU 141          HD11      LEU 141  -8.414   1.830   2.390
  998   HD12  LEU 141          HD12      LEU 141  -7.865   1.441   0.747
  999   HD13  LEU 141          HD13      LEU 141  -9.190   2.586   0.982
 1000   HD21  LEU 141          HD21      LEU 141  -9.717  -1.626   1.575
 1001   HD22  LEU 141          HD22      LEU 141  -8.144  -0.940   1.196
 1002   HD23  LEU 141          HD23      LEU 141  -8.822  -0.718   2.819
 1003    H    GLY 142           H        GLY 142 -14.278  -1.299   2.795
 1004    HA2  GLY 142           HA2      GLY 142 -14.843  -2.971   4.273
 1005    HA3  GLY 142           HA3      GLY 142 -13.186  -3.594   4.094
 1006    H    GLY 143           H        GLY 143 -12.992  -0.424   5.230
 1007    HA2  GLY 143           HA2      GLY 143 -12.435   0.439   7.340
 1008    HA3  GLY 143           HA3      GLY 143 -12.947  -1.087   8.108
 1009    H    GLY 144           H        GLY 144 -10.850  -1.811   5.548
 1010    HA2  GLY 144           HA2      GLY 144  -8.763  -2.656   7.447
 1011    HA3  GLY 144           HA3      GLY 144  -8.938  -3.111   5.734
 1012    H    GLY 145           H        GLY 145  -8.796   0.196   6.990
 1013    HA2  GLY 145           HA2      GLY 145  -6.756   0.929   5.021
 1014    HA3  GLY 145           HA3      GLY 145  -7.651   2.009   6.125
 1015    H    THR 146           H        THR 146  -6.494  -0.189   8.235
 1016    HA   THR 146           HA       THR 146  -4.073   1.179   9.011
 1017    HB   THR 146           HB       THR 146  -3.768  -1.011  10.386
 1018    HG1  THR 146           HG1      THR 146  -5.941  -1.964  10.613
 1019   HG21  THR 146          HG21      THR 146  -6.238   0.735  10.771
 1020   HG22  THR 146          HG22      THR 146  -5.490  -0.293  12.009
 1021   HG23  THR 146          HG23      THR 146  -4.604   1.094  11.359
 1022    H    ARG 147           H        ARG 147  -1.935   0.306   8.995
 1023    HA   ARG 147           HA       ARG 147  -1.332  -1.164   6.467
 1024    HB2  ARG 147           HB2      ARG 147   0.859   0.396   7.672
 1025    HB3  ARG 147           HB3      ARG 147   0.388   0.231   6.000
 1026    HG2  ARG 147           HG2      ARG 147  -0.881   2.092   8.055
 1027    HG3  ARG 147           HG3      ARG 147   0.324   2.557   6.869
 1028    HD2  ARG 147           HD2      ARG 147  -1.172   2.451   5.059
 1029    HD3  ARG 147           HD3      ARG 147  -2.257   1.344   5.887
 1030    HE   ARG 147           HE       ARG 147  -3.444   3.076   6.655
 1031   HH11  ARG 147          HH11      ARG 147  -0.291   4.573   5.902
 1032   HH12  ARG 147          HH12      ARG 147  -0.738   6.042   6.748
 1033   HH21  ARG 147          HH21      ARG 147  -3.885   5.079   7.634
 1034   HH22  ARG 147          HH22      ARG 147  -2.644   6.321   7.627
 1035    H    TYR 148           H        TYR 148  -0.163  -3.039   6.646
 1036    HA   TYR 148           HA       TYR 148   0.951  -3.863   9.281
 1037    HB2  TYR 148           HB2      TYR 148  -0.099  -5.571   7.787
 1038    HB3  TYR 148           HB3      TYR 148   1.159  -5.351   6.576
 1039    HD1  TYR 148           HD1      TYR 148   0.576  -6.409  10.113
 1040    HD2  TYR 148           HD2      TYR 148   3.288  -6.336   6.753
 1041    HE1  TYR 148           HE1      TYR 148   2.051  -8.058  11.260
 1042    HE2  TYR 148           HE2      TYR 148   4.740  -7.974   7.885
 1043    HH   TYR 148           HH       TYR 148   5.034  -9.311   9.705
 1044    H    ALA 149           H        ALA 149   1.969  -2.429   6.193
 1045    HA   ALA 149           HA       ALA 149   4.500  -1.681   7.480
 1046    HB1  ALA 149           HB1      ALA 149   4.486  -3.197   4.840
 1047    HB2  ALA 149           HB2      ALA 149   5.891  -2.533   5.673
 1048    HB3  ALA 149           HB3      ALA 149   4.995  -3.866   6.415
 1049    H    CYS 150           H        CYS 150   5.506  -0.011   6.787
 1050    HA   CYS 150           HA       CYS 150   4.422   2.087   5.089
 1051    HB2  CYS 150           HB2      CYS 150   5.606   2.477   7.192
 1052    HB3  CYS 150           HB3      CYS 150   7.002   1.575   6.626
 1053    H    GLY 151           H        GLY 151   6.456   3.031   3.749
 1054    HA2  GLY 151           HA2      GLY 151   8.278   1.562   2.286
 1055    HA3  GLY 151           HA3      GLY 151   6.778   1.265   1.419
 1056    H    VAL 152           H        VAL 152   8.505   4.030   2.871
 1057    HA   VAL 152           HA       VAL 152   7.599   5.982   0.958
 1058    HB   VAL 152           HB       VAL 152   8.373   6.801   3.024
 1059   HG11  VAL 152          HG11      VAL 152  11.148   5.649   2.513
 1060   HG12  VAL 152          HG12      VAL 152  10.659   6.671   3.874
 1061   HG13  VAL 152          HG13      VAL 152   9.974   5.053   3.708
 1062   HG21  VAL 152          HG21      VAL 152   8.842   8.217   1.012
 1063   HG22  VAL 152          HG22      VAL 152   9.931   8.541   2.376
 1064   HG23  VAL 152          HG23      VAL 152  10.507   7.598   0.996
 1065    H    ILE 153           H        ILE 153   8.163   6.350  -1.088
 1066    HA   ILE 153           HA       ILE 153  10.391   4.868  -2.340
 1067    HB   ILE 153           HB       ILE 153   8.410   6.872  -3.496
 1068   HG12  ILE 153          HG12      ILE 153   8.429   3.841  -3.892
 1069   HG13  ILE 153          HG13      ILE 153   7.474   4.604  -2.634
 1070   HG21  ILE 153          HG21      ILE 153  10.378   4.991  -4.896
 1071   HG22  ILE 153          HG22      ILE 153   9.175   6.011  -5.711
 1072   HG23  ILE 153          HG23      ILE 153  10.496   6.761  -4.831
 1073   HD11  ILE 153          HD11      ILE 153   7.137   5.065  -5.618
 1074   HD12  ILE 153          HD12      ILE 153   6.040   4.214  -4.529
 1075   HD13  ILE 153          HD13      ILE 153   6.266   5.948  -4.339
 1076    H    LYS 154           H        LYS 154  12.392   5.711  -2.766
 1077    HA   LYS 154           HA       LYS 154  13.129   8.280  -1.633
 1078    HB2  LYS 154           HB2      LYS 154  14.617   6.285  -3.399
 1079    HB3  LYS 154           HB3      LYS 154  15.362   7.743  -2.757
 1080    HG2  LYS 154           HG2      LYS 154  14.124   5.594  -0.975
 1081    HG3  LYS 154           HG3      LYS 154  15.815   5.598  -1.481
 1082    HD2  LYS 154           HD2      LYS 154  16.205   7.754  -0.394
 1083    HD3  LYS 154           HD3      LYS 154  14.500   7.857   0.098
 1084    HE2  LYS 154           HE2      LYS 154  14.708   5.861   1.479
 1085    HE3  LYS 154           HE3      LYS 154  16.352   5.569   0.901
 1086    HZ1  LYS 154           HZ1      LYS 154  15.565   7.976   2.475
 1087    HZ2  LYS 154           HZ2      LYS 154  16.286   6.639   3.094
 1088    HZ3  LYS 154           HZ3      LYS 154  17.075   7.565   2.000
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1  12.118   0.904 -15.586
    2    H2   ALA   1           H2       ALA   1  12.893   2.150 -16.342
    3    H3   ALA   1           H3       ALA   1  11.376   2.367 -15.719
    4    HA   ALA   1           HA       ALA   1  13.954   2.207 -14.384
    5    HB1  ALA   1           HB1      ALA   1  11.459   3.877 -13.824
    6    HB2  ALA   1           HB2      ALA   1  13.042   4.058 -13.036
    7    HB3  ALA   1           HB3      ALA   1  12.869   4.413 -14.764
    8    H    SER   2           H        SER   2  13.616   2.163 -11.728
    9    HA   SER   2           HA       SER   2  11.790   0.076 -10.902
   10    HB2  SER   2           HB2      SER   2  14.710  -0.684 -10.976
   11    HB3  SER   2           HB3      SER   2  13.346  -1.715 -10.573
   12    HG   SER   2           HG       SER   2  12.925  -1.933 -12.816
   13    H    GLU   3           H        GLU   3  11.793   0.010  -8.591
   14    HA   GLU   3           HA       GLU   3  14.223   0.754  -7.219
   15    HB2  GLU   3           HB2      GLU   3  13.374   2.992  -7.315
   16    HB3  GLU   3           HB3      GLU   3  11.786   2.486  -6.674
   17    HG2  GLU   3           HG2      GLU   3  12.663   1.953  -4.573
   18    HG3  GLU   3           HG3      GLU   3  14.356   1.959  -5.132
   19    H    LYS   4           H        LYS   4  14.564  -0.515  -5.557
   20    HA   LYS   4           HA       LYS   4  12.549  -2.349  -4.516
   21    HB2  LYS   4           HB2      LYS   4  14.810  -3.136  -5.081
   22    HB3  LYS   4           HB3      LYS   4  15.532  -1.793  -4.205
   23    HG2  LYS   4           HG2      LYS   4  14.379  -2.819  -2.094
   24    HG3  LYS   4           HG3      LYS   4  14.191  -4.256  -3.098
   25    HD2  LYS   4           HD2      LYS   4  16.160  -4.443  -1.659
   26    HD3  LYS   4           HD3      LYS   4  16.678  -4.344  -3.347
   27    HE2  LYS   4           HE2      LYS   4  17.170  -1.925  -3.055
   28    HE3  LYS   4           HE3      LYS   4  16.618  -1.990  -1.377
   29    HZ1  LYS   4           HZ1      LYS   4  18.918  -3.544  -2.447
   30    HZ2  LYS   4           HZ2      LYS   4  19.057  -2.110  -1.675
   31    HZ3  LYS   4           HZ3      LYS   4  18.496  -3.386  -0.847
   32    H    VAL   5           H        VAL   5  11.059  -1.373  -3.138
   33    HA   VAL   5           HA       VAL   5  12.104   0.682  -1.268
   34    HB   VAL   5           HB       VAL   5   9.298  -0.252  -1.893
   35   HG11  VAL   5          HG11      VAL   5  10.292   1.874   0.069
   36   HG12  VAL   5          HG12      VAL   5   8.611   1.725  -0.486
   37   HG13  VAL   5          HG13      VAL   5   9.339   0.429   0.463
   38   HG21  VAL   5          HG21      VAL   5  10.463   1.059  -3.645
   39   HG22  VAL   5          HG22      VAL   5   9.188   2.034  -2.891
   40   HG23  VAL   5          HG23      VAL   5  10.883   2.309  -2.454
   41    H    GLY   6           H        GLY   6  12.857   0.220   0.569
   42    HA2  GLY   6           HA2      GLY   6  12.422  -2.187   2.111
   43    HA3  GLY   6           HA3      GLY   6  13.263  -0.709   2.653
   44    H    MET   7           H        MET   7  10.530  -2.632   2.774
   45    HA   MET   7           HA       MET   7   8.643  -0.660   3.881
   46    HB2  MET   7           HB2      MET   7   8.470  -3.670   3.582
   47    HB3  MET   7           HB3      MET   7   7.127  -2.598   4.006
   48    HG2  MET   7           HG2      MET   7   8.663  -2.306   1.398
   49    HG3  MET   7           HG3      MET   7   7.358  -3.478   1.581
   50    HE1  MET   7           HE1      MET   7   5.276  -1.493   3.418
   51    HE2  MET   7           HE2      MET   7   4.243  -1.190   2.017
   52    HE3  MET   7           HE3      MET   7   4.945  -2.812   2.266
   53    H    ASN   8           H        ASN   8   8.238  -0.347   5.997
   54    HA   ASN   8           HA       ASN   8   9.429  -2.172   8.055
   55    HB2  ASN   8           HB2      ASN   8   8.844   0.798   8.021
   56    HB3  ASN   8           HB3      ASN   8   8.860  -0.114   9.545
   57   HD21  ASN   8          HD21      ASN   8  10.761   0.073  10.590
   58   HD22  ASN   8          HD22      ASN   8  12.339  -0.042   9.797
   59    H    LEU   9           H        LEU   9   8.139  -2.982   9.646
   60    HA   LEU   9           HA       LEU   9   5.283  -3.285   9.324
   61    HB2  LEU   9           HB2      LEU   9   7.135  -3.601  11.726
   62    HB3  LEU   9           HB3      LEU   9   5.467  -4.160  11.693
   63    HG   LEU   9           HG       LEU   9   7.549  -5.168   9.712
   64   HD11  LEU   9          HD11      LEU   9   6.864  -6.262  12.459
   65   HD12  LEU   9          HD12      LEU   9   7.777  -7.142  11.215
   66   HD13  LEU   9          HD13      LEU   9   8.435  -5.641  11.882
   67   HD21  LEU   9          HD21      LEU   9   5.195  -5.569   9.072
   68   HD22  LEU   9          HD22      LEU   9   6.011  -7.083   9.490
   69   HD23  LEU   9          HD23      LEU   9   4.892  -6.333  10.648
   70    H    VAL  10           H        VAL  10   3.577  -2.181  10.353
   71    HA   VAL  10           HA       VAL  10   4.180  -0.023  12.266
   72    HB   VAL  10           HB       VAL  10   3.004   1.730  11.238
   73   HG11  VAL  10          HG11      VAL  10   4.692   0.615   8.963
   74   HG12  VAL  10          HG12      VAL  10   4.263   2.309   9.258
   75   HG13  VAL  10          HG13      VAL  10   5.336   1.469  10.383
   76   HG21  VAL  10          HG21      VAL  10   1.126   0.677  10.209
   77   HG22  VAL  10          HG22      VAL  10   1.954   1.618   8.978
   78   HG23  VAL  10          HG23      VAL  10   2.163  -0.149   9.006
   79    H    THR  11           H        THR  11   2.215   0.828  13.279
   80    HA   THR  11           HA       THR  11  -0.406  -0.003  13.000
   81    HB   THR  11           HB       THR  11   0.063  -2.281  13.403
   82    HG1  THR  11           HG1      THR  11  -1.186  -2.286  15.562
   83   HG21  THR  11          HG21      THR  11   1.103  -1.645  16.191
   84   HG22  THR  11          HG22      THR  11   0.914  -3.226  15.420
   85   HG23  THR  11          HG23      THR  11   2.133  -2.099  14.817
   86    H    ALA  12           H        ALA  12  -0.021   2.303  13.345
   87    HA   ALA  12           HA       ALA  12  -0.497   4.206  14.451
   88    HB1  ALA  12           HB1      ALA  12  -1.583   2.397  16.650
   89    HB2  ALA  12           HB2      ALA  12  -1.997   4.094  16.352
   90    HB3  ALA  12           HB3      ALA  12  -2.461   2.849  15.177
   91    H    GLN  13           H        GLN  13   1.408   2.015  16.427
   92    HA   GLN  13           HA       GLN  13   2.361   3.906  18.361
   93    HB2  GLN  13           HB2      GLN  13   3.529   1.366  17.165
   94    HB3  GLN  13           HB3      GLN  13   4.239   2.237  18.544
   95    HG2  GLN  13           HG2      GLN  13   2.394   0.086  18.522
   96    HG3  GLN  13           HG3      GLN  13   3.221   0.861  19.886
   97   HE21  GLN  13          HE21      GLN  13   0.244   0.930  17.870
   98   HE22  GLN  13          HE22      GLN  13  -0.574   1.985  19.026
   99    H    GLY  14           H        GLY  14   3.091   3.599  14.989
  100    HA2  GLY  14           HA2      GLY  14   4.384   5.506  13.989
  101    HA3  GLY  14           HA3      GLY  14   5.640   5.143  15.204
  102    H    VAL  15           H        VAL  15   7.046   4.849  13.370
  103    HA   VAL  15           HA       VAL  15   6.784   2.503  11.628
  104    HB   VAL  15           HB       VAL  15   9.191   4.282  12.206
  105   HG11  VAL  15          HG11      VAL  15   8.696   2.264   9.976
  106   HG12  VAL  15          HG12      VAL  15  10.097   3.350  10.086
  107   HG13  VAL  15          HG13      VAL  15   9.877   2.080  11.294
  108   HG21  VAL  15          HG21      VAL  15   7.389   5.588  11.172
  109   HG22  VAL  15          HG22      VAL  15   8.678   5.306   9.998
  110   HG23  VAL  15          HG23      VAL  15   7.182   4.350   9.914
  111    H    GLY  16           H        GLY  16   7.328   0.492  12.175
  112    HA2  GLY  16           HA2      GLY  16   8.398  -0.170  14.825
  113    HA3  GLY  16           HA3      GLY  16   7.754  -1.269  13.568
  114    H    GLN  17           H        GLN  17   9.083  -2.246  12.121
  115    HA   GLN  17           HA       GLN  17  11.866  -1.551  11.811
  116    HB2  GLN  17           HB2      GLN  17  12.897  -3.520  12.599
  117    HB3  GLN  17           HB3      GLN  17  12.042  -2.791  13.941
  118    HG2  GLN  17           HG2      GLN  17  10.607  -4.572  14.187
  119    HG3  GLN  17           HG3      GLN  17  10.508  -4.893  12.443
  120   HE21  GLN  17          HE21      GLN  17  12.407  -6.001  11.352
  121   HE22  GLN  17          HE22      GLN  17  13.254  -7.143  12.380
  122    H    SER  18           H        SER  18  12.938  -3.051  10.279
  123    HA   SER  18           HA       SER  18  11.072  -3.822   8.139
  124    HB2  SER  18           HB2      SER  18  12.709  -2.348   7.363
  125    HB3  SER  18           HB3      SER  18  13.998  -3.131   8.304
  126    HG   SER  18           HG       SER  18  14.350  -3.778   6.254
  127    H    ILE  19           H        ILE  19  11.172  -5.612   6.889
  128    HA   ILE  19           HA       ILE  19  12.323  -8.123   7.986
  129    HB   ILE  19           HB       ILE  19  10.221  -9.237   7.891
  130   HG12  ILE  19          HG12      ILE  19   8.828  -8.161   6.342
  131   HG13  ILE  19          HG13      ILE  19   8.034  -8.039   7.914
  132   HG21  ILE  19          HG21      ILE  19   9.967  -6.840   9.753
  133   HG22  ILE  19          HG22      ILE  19   9.261  -8.453   9.965
  134   HG23  ILE  19          HG23      ILE  19  11.014  -8.246  10.025
  135   HD11  ILE  19          HD11      ILE  19   9.329  -5.815   6.313
  136   HD12  ILE  19          HD12      ILE  19   7.644  -5.986   6.816
  137   HD13  ILE  19          HD13      ILE  19   8.895  -5.627   8.023
  138    H    GLY  20           H        GLY  20  12.473  -6.357   5.469
  139    HA2  GLY  20           HA2      GLY  20  13.177  -7.821   3.383
  140    HA3  GLY  20           HA3      GLY  20  11.445  -8.176   3.363
  141    H    THR  21           H        THR  21  12.263  -7.093   1.151
  142    HA   THR  21           HA       THR  21  11.232  -4.287   1.227
  143    HB   THR  21           HB       THR  21  12.700  -3.673  -0.590
  144    HG1  THR  21           HG1      THR  21  12.990  -6.008  -1.369
  145   HG21  THR  21          HG21      THR  21  14.669  -5.007   1.264
  146   HG22  THR  21          HG22      THR  21  14.642  -3.358   0.616
  147   HG23  THR  21          HG23      THR  21  13.585  -3.828   1.963
  148    H    VAL  22           H        VAL  22  10.332  -3.703  -0.965
  149    HA   VAL  22           HA       VAL  22   9.298  -6.070  -2.488
  150    HB   VAL  22           HB       VAL  22   7.845  -3.392  -2.249
  151   HG11  VAL  22          HG11      VAL  22   7.161  -6.024  -3.638
  152   HG12  VAL  22          HG12      VAL  22   6.040  -4.714  -3.441
  153   HG13  VAL  22          HG13      VAL  22   7.478  -4.463  -4.436
  154   HG21  VAL  22          HG21      VAL  22   7.587  -4.742  -0.156
  155   HG22  VAL  22          HG22      VAL  22   6.079  -4.539  -1.052
  156   HG23  VAL  22          HG23      VAL  22   6.950  -6.082  -1.141
  157    H    VAL  23           H        VAL  23   9.943  -6.034  -4.603
  158    HA   VAL  23           HA       VAL  23  11.388  -3.615  -5.535
  159    HB   VAL  23           HB       VAL  23  12.373  -5.804  -5.837
  160   HG11  VAL  23          HG11      VAL  23  10.303  -6.402  -7.906
  161   HG12  VAL  23          HG12      VAL  23  11.867  -7.223  -7.744
  162   HG13  VAL  23          HG13      VAL  23  10.739  -7.288  -6.401
  163   HG21  VAL  23          HG21      VAL  23  13.037  -3.785  -7.159
  164   HG22  VAL  23          HG22      VAL  23  13.298  -5.283  -8.066
  165   HG23  VAL  23          HG23      VAL  23  11.889  -4.266  -8.428
  166    H    ILE  24           H        ILE  24  10.515  -2.071  -6.710
  167    HA   ILE  24           HA       ILE  24   7.954  -2.616  -8.173
  168    HB   ILE  24           HB       ILE  24   9.226   0.054  -7.574
  169   HG12  ILE  24          HG12      ILE  24   6.794  -0.738  -5.994
  170   HG13  ILE  24          HG13      ILE  24   8.232  -1.345  -5.381
  171   HG21  ILE  24          HG21      ILE  24   6.392  -0.750  -8.376
  172   HG22  ILE  24          HG22      ILE  24   6.963   0.918  -8.141
  173   HG23  ILE  24          HG23      ILE  24   7.612  -0.056  -9.459
  174   HD11  ILE  24          HD11      ILE  24   7.495   1.529  -5.970
  175   HD12  ILE  24          HD12      ILE  24   7.835   0.740  -4.404
  176   HD13  ILE  24          HD13      ILE  24   9.159   1.047  -5.580
  177    H    ASP  25           H        ASP  25   8.148  -2.806 -10.317
  178    HA   ASP  25           HA       ASP  25  10.508  -1.636 -11.734
  179    HB2  ASP  25           HB2      ASP  25  10.952  -3.855 -11.117
  180    HB3  ASP  25           HB3      ASP  25   9.418  -4.460 -11.794
  181    H    GLU  26           H        GLU  26   9.855  -0.272 -13.152
  182    HA   GLU  26           HA       GLU  26   7.189   0.239 -13.771
  183    HB2  GLU  26           HB2      GLU  26   9.265   1.705 -13.381
  184    HB3  GLU  26           HB3      GLU  26   9.765   1.219 -15.018
  185    HG2  GLU  26           HG2      GLU  26   7.326   2.078 -15.438
  186    HG3  GLU  26           HG3      GLU  26   7.568   2.968 -13.994
  187    H    THR  27           H        THR  27   5.907  -0.784 -15.305
  188    HA   THR  27           HA       THR  27   7.226  -1.844 -17.776
  189    HB   THR  27           HB       THR  27   6.440  -3.751 -16.785
  190    HG1  THR  27           HG1      THR  27   4.586  -4.284 -18.001
  191   HG21  THR  27          HG21      THR  27   3.881  -2.372 -15.921
  192   HG22  THR  27          HG22      THR  27   4.216  -4.109 -15.780
  193   HG23  THR  27          HG23      THR  27   5.184  -2.954 -14.866
  194    H    GLU  28           H        GLU  28   5.933  -1.633 -19.665
  195    HA   GLU  28           HA       GLU  28   4.966   1.043 -20.053
  196    HB2  GLU  28           HB2      GLU  28   6.055  -0.772 -21.585
  197    HB3  GLU  28           HB3      GLU  28   4.400  -1.322 -21.869
  198    HG2  GLU  28           HG2      GLU  28   3.869   0.610 -23.094
  199    HG3  GLU  28           HG3      GLU  28   4.994   1.632 -22.188
  200    H    GLY  29           H        GLY  29   3.515  -1.861 -18.938
  201    HA2  GLY  29           HA2      GLY  29   0.798  -0.638 -18.869
  202    HA3  GLY  29           HA3      GLY  29   1.148  -2.385 -18.654
  203    H    GLY  30           H        GLY  30   3.126   0.107 -17.108
  204    HA2  GLY  30           HA2      GLY  30   2.131   1.292 -15.084
  205    HA3  GLY  30           HA3      GLY  30   1.648  -0.340 -14.572
  206    H    LEU  31           H        LEU  31   2.353  -0.436 -12.681
  207    HA   LEU  31           HA       LEU  31   5.337  -0.572 -12.327
  208    HB2  LEU  31           HB2      LEU  31   3.138   0.136 -10.330
  209    HB3  LEU  31           HB3      LEU  31   4.843  -0.098  -9.919
  210    HG   LEU  31           HG       LEU  31   3.724   2.085 -11.747
  211   HD11  LEU  31          HD11      LEU  31   4.842   2.229  -8.911
  212   HD12  LEU  31          HD12      LEU  31   4.308   3.603  -9.904
  213   HD13  LEU  31          HD13      LEU  31   3.131   2.393  -9.373
  214   HD21  LEU  31          HD21      LEU  31   5.964   1.587 -12.486
  215   HD22  LEU  31          HD22      LEU  31   6.062   3.028 -11.486
  216   HD23  LEU  31          HD23      LEU  31   6.558   1.469 -10.815
  217    H    LYS  32           H        LYS  32   5.974  -2.643 -12.353
  218    HA   LYS  32           HA       LYS  32   4.259  -4.837 -11.405
  219    HB2  LYS  32           HB2      LYS  32   5.806  -5.021 -13.387
  220    HB3  LYS  32           HB3      LYS  32   7.166  -4.852 -12.278
  221    HG2  LYS  32           HG2      LYS  32   6.089  -6.911 -11.014
  222    HG3  LYS  32           HG3      LYS  32   5.139  -7.091 -12.495
  223    HD2  LYS  32           HD2      LYS  32   7.007  -8.507 -12.770
  224    HD3  LYS  32           HD3      LYS  32   7.369  -7.080 -13.763
  225    HE2  LYS  32           HE2      LYS  32   8.586  -6.252 -11.545
  226    HE3  LYS  32           HE3      LYS  32   8.529  -7.976 -11.104
  227    HZ1  LYS  32           HZ1      LYS  32   9.884  -6.755 -13.469
  228    HZ2  LYS  32           HZ2      LYS  32  10.600  -7.460 -12.202
  229    HZ3  LYS  32           HZ3      LYS  32   9.752  -8.409 -13.223
  230    H    PHE  33           H        PHE  33   4.025  -5.053  -9.279
  231    HA   PHE  33           HA       PHE  33   6.122  -4.321  -7.321
  232    HB2  PHE  33           HB2      PHE  33   3.498  -3.763  -7.381
  233    HB3  PHE  33           HB3      PHE  33   3.358  -5.393  -6.704
  234    HD1  PHE  33           HD1      PHE  33   5.563  -2.434  -6.214
  235    HD2  PHE  33           HD2      PHE  33   2.798  -5.176  -4.430
  236    HE1  PHE  33           HE1      PHE  33   5.818  -1.253  -4.002
  237    HE2  PHE  33           HE2      PHE  33   2.964  -3.942  -2.274
  238    HZ   PHE  33           HZ       PHE  33   4.555  -2.055  -2.028
  239    H    THR  34           H        THR  34   7.543  -5.987  -6.637
  240    HA   THR  34           HA       THR  34   6.362  -8.757  -6.614
  241    HB   THR  34           HB       THR  34   9.236  -8.304  -7.338
  242    HG1  THR  34           HG1      THR  34   7.725  -7.399  -8.818
  243   HG21  THR  34          HG21      THR  34   7.332 -10.668  -7.588
  244   HG22  THR  34          HG22      THR  34   9.002 -10.612  -8.189
  245   HG23  THR  34          HG23      THR  34   8.688 -10.525  -6.449
  246    HA   PRO  35           HA       PRO  35   7.793  -7.934  -2.426
  247    HB2  PRO  35           HB2      PRO  35   6.291  -9.761  -1.096
  248    HB3  PRO  35           HB3      PRO  35   5.544  -8.315  -1.863
  249    HG2  PRO  35           HG2      PRO  35   5.757 -11.133  -2.953
  250    HG3  PRO  35           HG3      PRO  35   4.302 -10.092  -2.905
  251    HD2  PRO  35           HD2      PRO  35   5.886 -10.357  -5.121
  252    HD3  PRO  35           HD3      PRO  35   5.046  -8.823  -4.717
  253    H    HIS  36           H        HIS  36   9.173  -8.922  -0.899
  254    HA   HIS  36           HA       HIS  36   9.764 -11.777  -1.067
  255    HB2  HIS  36           HB2      HIS  36  12.178 -11.476  -1.489
  256    HB3  HIS  36           HB3      HIS  36  11.135 -11.081  -2.853
  257    HD1  HIS  36           HD1      HIS  36  14.198 -10.025  -2.054
  258    HD2  HIS  36           HD2      HIS  36  10.585  -8.016  -2.583
  259    HE1  HIS  36           HE1      HIS  36  14.829  -7.576  -2.442
  260    H    LEU  37           H        LEU  37   8.462 -10.489   0.881
  261    HA   LEU  37           HA       LEU  37  10.355 -10.048   3.155
  262    HB2  LEU  37           HB2      LEU  37   7.357  -9.528   3.112
  263    HB3  LEU  37           HB3      LEU  37   8.558  -9.007   4.304
  264    HG   LEU  37           HG       LEU  37   9.571  -7.871   1.999
  265   HD11  LEU  37          HD11      LEU  37   6.522  -7.683   1.828
  266   HD12  LEU  37          HD12      LEU  37   7.699  -6.801   0.841
  267   HD13  LEU  37          HD13      LEU  37   7.564  -8.555   0.683
  268   HD21  LEU  37          HD21      LEU  37   9.317  -6.747   4.153
  269   HD22  LEU  37          HD22      LEU  37   8.696  -5.757   2.826
  270   HD23  LEU  37          HD23      LEU  37   7.558  -6.611   3.901
  271    H    LYS  38           H        LYS  38  10.261 -11.218   5.046
  272    HA   LYS  38           HA       LYS  38   8.861 -13.852   4.804
  273    HB2  LYS  38           HB2      LYS  38  10.848 -14.840   5.864
  274    HB3  LYS  38           HB3      LYS  38  11.183 -14.092   4.330
  275    HG2  LYS  38           HG2      LYS  38  11.615 -12.113   6.450
  276    HG3  LYS  38           HG3      LYS  38  12.414 -13.633   6.887
  277    HD2  LYS  38           HD2      LYS  38  13.946 -12.188   5.650
  278    HD3  LYS  38           HD3      LYS  38  13.600 -13.651   4.710
  279    HE2  LYS  38           HE2      LYS  38  11.859 -12.363   3.423
  280    HE3  LYS  38           HE3      LYS  38  12.299 -10.909   4.339
  281    HZ1  LYS  38           HZ1      LYS  38  14.145 -12.425   2.589
  282    HZ2  LYS  38           HZ2      LYS  38  13.364 -11.039   2.167
  283    HZ3  LYS  38           HZ3      LYS  38  14.495 -11.040   3.399
  284    H    ALA  39           H        ALA  39   7.694 -11.669   6.219
  285    HA   ALA  39           HA       ALA  39   7.027 -13.120   8.678
  286    HB1  ALA  39           HB1      ALA  39   8.247 -10.336   8.854
  287    HB2  ALA  39           HB2      ALA  39   7.556 -11.261  10.199
  288    HB3  ALA  39           HB3      ALA  39   9.018 -11.848   9.393
  289    H    LEU  40           H        LEU  40   5.164 -13.110   6.965
  290    HA   LEU  40           HA       LEU  40   3.203 -11.369   8.146
  291    HB2  LEU  40           HB2      LEU  40   2.388 -10.971   5.449
  292    HB3  LEU  40           HB3      LEU  40   2.842  -9.930   6.712
  293    HG   LEU  40           HG       LEU  40   5.292 -10.034   5.792
  294   HD11  LEU  40          HD11      LEU  40   3.945 -11.721   3.671
  295   HD12  LEU  40          HD12      LEU  40   5.592 -11.074   3.565
  296   HD13  LEU  40          HD13      LEU  40   5.193 -12.293   4.780
  297   HD21  LEU  40          HD21      LEU  40   3.689  -8.272   5.034
  298   HD22  LEU  40          HD22      LEU  40   4.808  -8.755   3.744
  299   HD23  LEU  40          HD23      LEU  40   3.137  -9.364   3.737
  300    HA   PRO  41           HA       PRO  41   0.952 -14.624   7.668
  301    HB2  PRO  41           HB2      PRO  41  -1.751 -13.916   7.908
  302    HB3  PRO  41           HB3      PRO  41  -0.539 -13.752   9.210
  303    HG2  PRO  41           HG2      PRO  41  -1.390 -11.709   7.197
  304    HG3  PRO  41           HG3      PRO  41  -1.296 -11.518   8.981
  305    HD2  PRO  41           HD2      PRO  41   0.781 -10.685   7.478
  306    HD3  PRO  41           HD3      PRO  41   1.025 -11.662   8.974
  307    HA   PRO  42           HA       PRO  42   0.376 -15.721   3.483
  308    HB2  PRO  42           HB2      PRO  42  -0.222 -18.327   3.620
  309    HB3  PRO  42           HB3      PRO  42   1.148 -17.667   4.581
  310    HG2  PRO  42           HG2      PRO  42  -1.720 -17.956   5.582
  311    HG3  PRO  42           HG3      PRO  42  -0.273 -18.777   6.236
  312    HD2  PRO  42           HD2      PRO  42  -1.071 -16.350   7.212
  313    HD3  PRO  42           HD3      PRO  42   0.674 -16.717   6.987
  314    H    GLY  43           H        GLY  43  -1.950 -14.338   4.432
  315    HA2  GLY  43           HA2      GLY  43  -4.171 -15.567   2.868
  316    HA3  GLY  43           HA3      GLY  43  -4.303 -14.148   3.939
  317    H    GLU  44           H        GLU  44  -4.897 -12.646   2.705
  318    HA   GLU  44           HA       GLU  44  -3.350 -11.799   0.308
  319    HB2  GLU  44           HB2      GLU  44  -6.400 -11.873   0.527
  320    HB3  GLU  44           HB3      GLU  44  -5.473 -11.345  -0.875
  321    HG2  GLU  44           HG2      GLU  44  -4.683 -13.606  -1.299
  322    HG3  GLU  44           HG3      GLU  44  -5.406 -14.205   0.210
  323    H    HIS  45           H        HIS  45  -2.979  -9.656   0.287
  324    HA   HIS  45           HA       HIS  45  -4.156  -7.931   2.454
  325    HB2  HIS  45           HB2      HIS  45  -1.325  -8.367   1.411
  326    HB3  HIS  45           HB3      HIS  45  -1.751  -6.941   2.362
  327    HD1  HIS  45           HD1      HIS  45  -2.485  -7.550   4.980
  328    HD2  HIS  45           HD2      HIS  45  -1.377 -10.747   2.518
  329    HE1  HIS  45           HE1      HIS  45  -2.207  -9.582   6.537
  330    HE2  HIS  45           HE2      HIS  45  -1.426 -11.551   5.011
  331    H    GLY  46           H        GLY  46  -4.917  -5.866   1.764
  332    HA2  GLY  46           HA2      GLY  46  -4.906  -5.221  -0.964
  333    HA3  GLY  46           HA3      GLY  46  -5.196  -4.088   0.380
  334    H    PHE  47           H        PHE  47  -3.735  -3.496  -2.104
  335    HA   PHE  47           HA       PHE  47  -1.201  -2.504  -0.849
  336    HB2  PHE  47           HB2      PHE  47  -0.545  -4.284  -2.258
  337    HB3  PHE  47           HB3      PHE  47  -1.742  -3.851  -3.486
  338    HD1  PHE  47           HD1      PHE  47   0.890  -1.509  -2.051
  339    HD2  PHE  47           HD2      PHE  47  -0.318  -4.074  -5.270
  340    HE1  PHE  47           HE1      PHE  47   2.682  -0.508  -3.575
  341    HE2  PHE  47           HE2      PHE  47   1.315  -2.956  -6.791
  342    HZ   PHE  47           HZ       PHE  47   2.733  -1.116  -5.937
  343    H    HIS  48           H        HIS  48  -1.646  -0.359  -0.504
  344    HA   HIS  48           HA       HIS  48  -2.516   1.069  -3.029
  345    HB2  HIS  48           HB2      HIS  48  -2.492   2.354  -0.300
  346    HB3  HIS  48           HB3      HIS  48  -3.311   2.937  -1.750
  347    HD2  HIS  48           HD2      HIS  48  -5.049   0.310  -2.424
  348    HE1  HIS  48           HE1      HIS  48  -6.242   0.256   1.647
  349    HE2  HIS  48           HE2      HIS  48  -6.727  -0.608  -0.649
  350    H    ILE  49           H        ILE  49  -1.743   3.024  -3.632
  351    HA   ILE  49           HA       ILE  49   0.923   3.927  -2.588
  352    HB   ILE  49           HB       ILE  49  -0.481   4.505  -5.223
  353   HG12  ILE  49          HG12      ILE  49   2.349   3.457  -4.882
  354   HG13  ILE  49          HG13      ILE  49   0.996   2.318  -4.779
  355   HG21  ILE  49          HG21      ILE  49   2.122   5.690  -4.137
  356   HG22  ILE  49          HG22      ILE  49   1.504   5.917  -5.782
  357   HG23  ILE  49          HG23      ILE  49   0.611   6.586  -4.421
  358   HD11  ILE  49          HD11      ILE  49   1.656   4.095  -7.152
  359   HD12  ILE  49          HD12      ILE  49   1.873   2.341  -7.036
  360   HD13  ILE  49          HD13      ILE  49   0.237   3.031  -7.040
  361    H    HIS  50           H        HIS  50   1.070   5.958  -1.786
  362    HA   HIS  50           HA       HIS  50  -1.458   7.324  -0.992
  363    HB2  HIS  50           HB2      HIS  50   0.781   6.111   0.618
  364    HB3  HIS  50           HB3      HIS  50   0.069   7.603   1.185
  365    HD1  HIS  50           HD1      HIS  50  -1.798   7.267   2.815
  366    HD2  HIS  50           HD2      HIS  50  -1.270   4.059   0.209
  367    HE1  HIS  50           HE1      HIS  50  -3.413   5.436   3.649
  368    H    ALA  51           H        ALA  51  -1.274   9.590  -0.617
  369    HA   ALA  51           HA       ALA  51   0.069  10.642  -2.847
  370    HB1  ALA  51           HB1      ALA  51  -1.305  12.167  -0.609
  371    HB2  ALA  51           HB2      ALA  51  -1.031  12.733  -2.261
  372    HB3  ALA  51           HB3      ALA  51  -2.141  11.378  -1.962
  373    H    ASN  52           H        ASN  52   1.155  10.888   0.498
  374    HA   ASN  52           HA       ASN  52   3.661  12.235  -0.502
  375    HB2  ASN  52           HB2      ASN  52   2.692  12.251   2.362
  376    HB3  ASN  52           HB3      ASN  52   3.949  13.248   1.648
  377   HD21  ASN  52          HD21      ASN  52   1.056  13.542   2.993
  378   HD22  ASN  52          HD22      ASN  52   0.336  14.796   1.978
  379    H    GLY  53           H        GLY  53   5.703  11.394   0.316
  380    HA2  GLY  53           HA2      GLY  53   5.722   8.635   1.328
  381    HA3  GLY  53           HA3      GLY  53   7.110   9.676   0.960
  382    H    SER  54           H        SER  54   4.626   8.928   3.409
  383    HA   SER  54           HA       SER  54   6.540   9.279   5.576
  384    HB2  SER  54           HB2      SER  54   6.065  11.639   5.098
  385    HB3  SER  54           HB3      SER  54   4.335  11.349   5.273
  386    HG   SER  54           HG       SER  54   6.136  10.759   7.401
  387    H    CYS  55           H        CYS  55   5.874   7.098   6.172
  388    HA   CYS  55           HA       CYS  55   3.351   6.219   6.783
  389    HB2  CYS  55           HB2      CYS  55   5.880   5.459   8.303
  390    HB3  CYS  55           HB3      CYS  55   4.486   4.464   7.936
  391    H    GLN  56           H        GLN  56   4.057   8.941   8.206
  392    HA   GLN  56           HA       GLN  56   4.115   8.152  11.044
  393    HB2  GLN  56           HB2      GLN  56   4.516  10.795   9.609
  394    HB3  GLN  56           HB3      GLN  56   4.392  10.670  11.360
  395    HG2  GLN  56           HG2      GLN  56   6.733  10.716  10.736
  396    HG3  GLN  56           HG3      GLN  56   6.333   9.164  11.456
  397   HE21  GLN  56          HE21      GLN  56   6.956   7.282  10.254
  398   HE22  GLN  56          HE22      GLN  56   7.426   7.385   8.569
  399    HA   PRO  57           HA       PRO  57  -0.290   9.333  11.466
  400    HB2  PRO  57           HB2      PRO  57  -0.597   8.712  14.070
  401    HB3  PRO  57           HB3      PRO  57  -0.494   7.440  12.822
  402    HG2  PRO  57           HG2      PRO  57   1.706   8.428  14.651
  403    HG3  PRO  57           HG3      PRO  57   1.237   6.736  14.287
  404    HD2  PRO  57           HD2      PRO  57   3.281   8.037  13.014
  405    HD3  PRO  57           HD3      PRO  57   2.278   6.791  12.199
  406    H    ALA  58           H        ALA  58  -1.293  11.283  12.430
  407    HA   ALA  58           HA       ALA  58   0.460  13.110  13.890
  408    HB1  ALA  58           HB1      ALA  58  -2.574  13.067  13.652
  409    HB2  ALA  58           HB2      ALA  58  -1.580  14.413  14.241
  410    HB3  ALA  58           HB3      ALA  58  -1.473  13.914  12.539
  411    H    ILE  59           H        ILE  59   0.449  13.495  16.089
  412    HA   ILE  59           HA       ILE  59  -0.507  11.297  17.876
  413    HB   ILE  59           HB       ILE  59   1.375  13.586  18.556
  414   HG12  ILE  59          HG12      ILE  59   2.557  12.445  16.817
  415   HG13  ILE  59          HG13      ILE  59   3.276  12.037  18.360
  416   HG21  ILE  59          HG21      ILE  59   0.805  10.915  19.909
  417   HG22  ILE  59          HG22      ILE  59   2.041  12.085  20.419
  418   HG23  ILE  59          HG23      ILE  59   0.333  12.525  20.483
  419   HD11  ILE  59          HD11      ILE  59   1.439  10.244  16.714
  420   HD12  ILE  59          HD12      ILE  59   3.188  10.078  16.913
  421   HD13  ILE  59          HD13      ILE  59   2.123   9.816  18.304
  422    H    LYS  60           H        LYS  60  -2.271  11.641  19.076
  423    HA   LYS  60           HA       LYS  60  -2.967  14.090  20.331
  424    HB2  LYS  60           HB2      LYS  60  -4.997  14.714  19.169
  425    HB3  LYS  60           HB3      LYS  60  -3.609  14.880  18.113
  426    HG2  LYS  60           HG2      LYS  60  -4.227  12.622  17.090
  427    HG3  LYS  60           HG3      LYS  60  -5.716  12.680  18.027
  428    HD2  LYS  60           HD2      LYS  60  -4.778  14.614  15.877
  429    HD3  LYS  60           HD3      LYS  60  -6.114  13.484  15.739
  430    HE2  LYS  60           HE2      LYS  60  -6.082  15.789  17.748
  431    HE3  LYS  60           HE3      LYS  60  -6.671  15.967  16.094
  432    HZ1  LYS  60           HZ1      LYS  60  -7.823  14.028  18.027
  433    HZ2  LYS  60           HZ2      LYS  60  -8.436  15.516  17.673
  434    HZ3  LYS  60           HZ3      LYS  60  -8.367  14.392  16.492
  435    H    ASP  61           H        ASP  61  -5.000  13.970  21.525
  436    HA   ASP  61           HA       ASP  61  -6.481  12.956  22.901
  437    HB2  ASP  61           HB2      ASP  61  -6.900  10.970  20.653
  438    HB3  ASP  61           HB3      ASP  61  -8.081  11.581  21.805
  439    H    GLY  62           H        GLY  62  -3.762  12.010  23.215
  440    HA2  GLY  62           HA2      GLY  62  -2.603  10.585  24.614
  441    HA3  GLY  62           HA3      GLY  62  -4.097   9.702  24.955
  442    H    GLN  63           H        GLN  63  -3.394   9.940  21.592
  443    HA   GLN  63           HA       GLN  63  -1.872   7.460  21.381
  444    HB2  GLN  63           HB2      GLN  63  -3.667   6.174  20.326
  445    HB3  GLN  63           HB3      GLN  63  -4.087   6.631  21.962
  446    HG2  GLN  63           HG2      GLN  63  -5.313   8.687  20.710
  447    HG3  GLN  63           HG3      GLN  63  -5.312   7.547  19.370
  448   HE21  GLN  63          HE21      GLN  63  -6.854   8.461  22.336
  449   HE22  GLN  63          HE22      GLN  63  -7.894   7.035  22.445
  450    H    ALA  64           H        ALA  64  -2.979   7.052  18.575
  451    HA   ALA  64           HA       ALA  64  -2.144   9.499  17.228
  452    HB1  ALA  64           HB1      ALA  64  -0.425   6.988  17.140
  453    HB2  ALA  64           HB2      ALA  64  -0.121   8.492  16.249
  454    HB3  ALA  64           HB3      ALA  64  -0.006   8.476  18.010
  455    H    VAL  65           H        VAL  65  -2.526   9.549  15.068
  456    HA   VAL  65           HA       VAL  65  -4.786   7.927  14.283
  457    HB   VAL  65           HB       VAL  65  -3.483  10.105  12.635
  458   HG11  VAL  65          HG11      VAL  65  -6.392   9.136  12.825
  459   HG12  VAL  65          HG12      VAL  65  -5.832  10.494  11.829
  460   HG13  VAL  65          HG13      VAL  65  -5.323   8.857  11.443
  461   HG21  VAL  65          HG21      VAL  65  -3.894  11.068  14.859
  462   HG22  VAL  65          HG22      VAL  65  -5.093  11.686  13.734
  463   HG23  VAL  65          HG23      VAL  65  -5.538  10.400  14.877
  464    H    ALA  66           H        ALA  66  -3.020   6.043  14.295
  465    HA   ALA  66           HA       ALA  66  -2.382   4.141  13.186
  466    HB1  ALA  66           HB1      ALA  66  -4.022   5.301  10.898
  467    HB2  ALA  66           HB2      ALA  66  -3.576   3.601  11.140
  468    HB3  ALA  66           HB3      ALA  66  -4.658   4.408  12.292
  469    H    ALA  67           H        ALA  67  -2.070   6.581  10.694
  470    HA   ALA  67           HA       ALA  67   0.572   6.872  10.139
  471    HB1  ALA  67           HB1      ALA  67  -0.451   4.439   8.614
  472    HB2  ALA  67           HB2      ALA  67   0.990   5.380   8.172
  473    HB3  ALA  67           HB3      ALA  67   0.952   4.522   9.707
  474    H    GLU  68           H        GLU  68   0.016   8.906   9.388
  475    HA   GLU  68           HA       GLU  68  -2.471   9.161   7.726
  476    HB2  GLU  68           HB2      GLU  68  -2.672   9.709  10.156
  477    HB3  GLU  68           HB3      GLU  68  -1.421  10.940   9.957
  478    HG2  GLU  68           HG2      GLU  68  -2.912  12.115   8.301
  479    HG3  GLU  68           HG3      GLU  68  -4.143  10.875   8.572
  480    H    ALA  69           H        ALA  69   0.652  10.804   8.527
  481    HA   ALA  69           HA       ALA  69   0.389  13.025   6.831
  482    HB1  ALA  69           HB1      ALA  69   2.873  11.510   7.752
  483    HB2  ALA  69           HB2      ALA  69   2.854  13.176   7.140
  484    HB3  ALA  69           HB3      ALA  69   2.025  12.778   8.663
  485    H    ALA  70           H        ALA  70   1.198   9.780   5.985
  486    HA   ALA  70           HA       ALA  70   2.123   9.857   3.399
  487    HB1  ALA  70           HB1      ALA  70  -0.033   8.083   4.639
  488    HB2  ALA  70           HB2      ALA  70   0.951   7.681   3.214
  489    HB3  ALA  70           HB3      ALA  70   1.722   7.843   4.787
  490    H    GLY  71           H        GLY  71  -0.889  11.315   4.359
  491    HA2  GLY  71           HA2      GLY  71  -1.931  12.879   2.987
  492    HA3  GLY  71           HA3      GLY  71  -1.060  12.240   1.595
  493    H    GLY  72           H        GLY  72  -2.911   9.952   3.422
  494    HA2  GLY  72           HA2      GLY  72  -4.840   8.716   2.857
  495    HA3  GLY  72           HA3      GLY  72  -5.330  10.049   1.789
  496    H    HIS  73           H        HIS  73  -6.020   7.999   0.548
  497    HA   HIS  73           HA       HIS  73  -3.988   6.535  -0.959
  498    HB2  HIS  73           HB2      HIS  73  -6.935   7.044  -1.565
  499    HB3  HIS  73           HB3      HIS  73  -5.879   5.986  -2.494
  500    HD2  HIS  73           HD2      HIS  73  -4.995   5.378   1.023
  501    HE1  HIS  73           HE1      HIS  73  -8.007   2.484   0.294
  502    HE2  HIS  73           HE2      HIS  73  -6.145   3.234   1.853
  503    H    LEU  74           H        LEU  74  -3.084   7.048  -2.967
  504    HA   LEU  74           HA       LEU  74  -3.134   9.800  -3.834
  505    HB2  LEU  74           HB2      LEU  74  -1.206   8.332  -4.178
  506    HB3  LEU  74           HB3      LEU  74  -2.169   7.241  -5.166
  507    HG   LEU  74           HG       LEU  74  -2.470   9.052  -6.863
  508   HD11  LEU  74          HD11      LEU  74  -0.516  10.585  -5.093
  509   HD12  LEU  74          HD12      LEU  74  -0.952  11.032  -6.757
  510   HD13  LEU  74          HD13      LEU  74  -2.182  11.056  -5.489
  511   HD21  LEU  74          HD21      LEU  74  -0.711   7.357  -7.108
  512   HD22  LEU  74          HD22      LEU  74  -0.155   8.917  -7.734
  513   HD23  LEU  74          HD23      LEU  74   0.407   8.346  -6.148
  514    H    ASP  75           H        ASP  75  -4.954  10.687  -4.509
  515    HA   ASP  75           HA       ASP  75  -5.816  10.498  -7.134
  516    HB2  ASP  75           HB2      ASP  75  -6.991   8.465  -6.749
  517    HB3  ASP  75           HB3      ASP  75  -7.713   9.087  -5.252
  518    HA   PRO  76           HA       PRO  76  -7.596  14.298  -5.362
  519    HB2  PRO  76           HB2      PRO  76  -8.002  15.690  -7.681
  520    HB3  PRO  76           HB3      PRO  76  -6.408  15.530  -6.885
  521    HG2  PRO  76           HG2      PRO  76  -7.492  13.942  -9.223
  522    HG3  PRO  76           HG3      PRO  76  -5.873  14.678  -9.035
  523    HD2  PRO  76           HD2      PRO  76  -6.387  12.035  -8.534
  524    HD3  PRO  76           HD3      PRO  76  -5.155  12.953  -7.621
  525    H    GLN  77           H        GLN  77  -9.140  12.265  -7.982
  526    HA   GLN  77           HA       GLN  77 -11.804  13.185  -7.176
  527    HB2  GLN  77           HB2      GLN  77 -12.252  14.674  -8.993
  528    HB3  GLN  77           HB3      GLN  77 -10.752  15.201  -8.251
  529    HG2  GLN  77           HG2      GLN  77  -9.546  13.822 -10.102
  530    HG3  GLN  77           HG3      GLN  77 -11.118  13.682 -10.867
  531   HE21  GLN  77          HE21      GLN  77 -10.026  14.745 -12.688
  532   HE22  GLN  77          HE22      GLN  77  -9.772  16.488 -12.661
  533    H    ASN  78           H        ASN  78 -10.292  10.553  -8.409
  534    HA   ASN  78           HA       ASN  78 -11.529  10.104 -10.921
  535    HB2  ASN  78           HB2      ASN  78 -10.181   8.343  -8.884
  536    HB3  ASN  78           HB3      ASN  78 -11.158   7.565 -10.112
  537   HD21  ASN  78          HD21      ASN  78  -8.432   9.918  -9.795
  538   HD22  ASN  78          HD22      ASN  78  -7.768   9.496 -11.379
  539    H    THR  79           H        THR  79 -12.896   9.711  -7.799
  540    HA   THR  79           HA       THR  79 -15.532   9.865  -8.250
  541    HB   THR  79           HB       THR  79 -15.629   7.924  -9.716
  542    HG1  THR  79           HG1      THR  79 -17.467   7.898  -8.868
  543   HG21  THR  79          HG21      THR  79 -14.761   6.271  -7.303
  544   HG22  THR  79          HG22      THR  79 -15.352   5.665  -8.861
  545   HG23  THR  79          HG23      THR  79 -13.805   6.525  -8.783
  546    H    GLY  80           H        GLY  80 -13.068   8.160  -6.395
  547    HA2  GLY  80           HA2      GLY  80 -12.531   8.688  -4.201
  548    HA3  GLY  80           HA3      GLY  80 -14.105   9.484  -3.985
  549    H    LYS  81           H        LYS  81 -15.371   6.842  -5.071
  550    HA   LYS  81           HA       LYS  81 -16.025   5.931  -2.470
  551    HB2  LYS  81           HB2      LYS  81 -17.618   4.597  -3.451
  552    HB3  LYS  81           HB3      LYS  81 -17.493   5.977  -4.530
  553    HG2  LYS  81           HG2      LYS  81 -16.135   4.576  -6.117
  554    HG3  LYS  81           HG3      LYS  81 -16.271   3.218  -4.989
  555    HD2  LYS  81           HD2      LYS  81 -18.868   3.671  -5.190
  556    HD3  LYS  81           HD3      LYS  81 -18.433   4.465  -6.698
  557    HE2  LYS  81           HE2      LYS  81 -17.609   1.615  -5.933
  558    HE3  LYS  81           HE3      LYS  81 -19.103   1.981  -6.790
  559    HZ1  LYS  81           HZ1      LYS  81 -16.411   2.651  -7.815
  560    HZ2  LYS  81           HZ2      LYS  81 -17.294   1.339  -8.248
  561    HZ3  LYS  81           HZ3      LYS  81 -17.867   2.840  -8.609
  562    H    HIS  82           H        HIS  82 -13.282   5.069  -4.065
  563    HA   HIS  82           HA       HIS  82 -11.648   3.538  -3.857
  564    HB2  HIS  82           HB2      HIS  82 -12.024   3.713  -1.405
  565    HB3  HIS  82           HB3      HIS  82 -13.148   2.358  -1.495
  566    HD2  HIS  82           HD2      HIS  82 -12.166   0.010  -1.248
  567    HE1  HIS  82           HE1      HIS  82  -8.058   0.735  -1.914
  568    HE2  HIS  82           HE2      HIS  82  -9.785  -0.951  -1.108
  569    H    GLU  83           H        GLU  83 -11.082   1.225  -4.276
  570    HA   GLU  83           HA       GLU  83 -13.292  -0.381  -5.396
  571    HB2  GLU  83           HB2      GLU  83 -12.486  -0.417  -7.622
  572    HB3  GLU  83           HB3      GLU  83 -12.745   1.212  -7.118
  573    HG2  GLU  83           HG2      GLU  83 -10.789   1.591  -8.176
  574    HG3  GLU  83           HG3      GLU  83 -10.118   1.208  -6.601
  575    H    GLY  84           H        GLY  84 -10.915  -1.656  -6.946
  576    HA2  GLY  84           HA2      GLY  84  -9.077  -3.120  -5.847
  577    HA3  GLY  84           HA3      GLY  84 -10.460  -3.886  -5.080
  578    HA   PRO  85           HA       PRO  85 -11.170  -5.714  -9.161
  579    HB2  PRO  85           HB2      PRO  85 -13.796  -6.161  -9.327
  580    HB3  PRO  85           HB3      PRO  85 -12.918  -6.615  -7.835
  581    HG2  PRO  85           HG2      PRO  85 -14.563  -4.109  -8.348
  582    HG3  PRO  85           HG3      PRO  85 -14.642  -5.209  -6.940
  583    HD2  PRO  85           HD2      PRO  85 -13.123  -2.865  -7.074
  584    HD3  PRO  85           HD3      PRO  85 -12.778  -4.222  -5.968
  585    H    GLU  86           H        GLU  86 -12.185  -2.358  -9.320
  586    HA   GLU  86           HA       GLU  86 -13.215  -2.744 -12.098
  587    HB2  GLU  86           HB2      GLU  86 -15.262  -1.684 -11.725
  588    HB3  GLU  86           HB3      GLU  86 -15.144  -2.987 -10.562
  589    HG2  GLU  86           HG2      GLU  86 -14.873  -1.508  -8.725
  590    HG3  GLU  86           HG3      GLU  86 -14.404  -0.153  -9.742
  591    H    GLY  87           H        GLY  87 -11.179  -0.828 -10.250
  592    HA2  GLY  87           HA2      GLY  87  -9.957   1.017 -10.906
  593    HA3  GLY  87           HA3      GLY  87 -10.882   1.082 -12.433
  594    H    GLN  88           H        GLN  88 -13.450   1.374 -11.135
  595    HA   GLN  88           HA       GLN  88 -13.513   4.213 -10.596
  596    HB2  GLN  88           HB2      GLN  88 -15.580   1.991 -10.445
  597    HB3  GLN  88           HB3      GLN  88 -15.973   3.671 -10.093
  598    HG2  GLN  88           HG2      GLN  88 -14.824   2.704 -12.745
  599    HG3  GLN  88           HG3      GLN  88 -16.527   3.040 -12.426
  600   HE21  GLN  88          HE21      GLN  88 -13.598   4.509 -13.504
  601   HE22  GLN  88          HE22      GLN  88 -14.124   6.184 -13.234
  602    H    GLY  89           H        GLY  89 -11.854   4.072  -8.891
  603    HA2  GLY  89           HA2      GLY  89 -13.221   4.446  -6.283
  604    HA3  GLY  89           HA3      GLY  89 -11.855   3.324  -6.340
  605    H    HIS  90           H        HIS  90  -9.797   4.035  -6.665
  606    HA   HIS  90           HA       HIS  90  -9.217   6.934  -6.952
  607    HB2  HIS  90           HB2      HIS  90  -7.775   5.098  -5.007
  608    HB3  HIS  90           HB3      HIS  90  -7.498   6.802  -5.215
  609    HD2  HIS  90           HD2      HIS  90  -9.940   8.346  -4.592
  610    HE1  HIS  90           HE1      HIS  90 -10.767   5.864  -1.254
  611    HE2  HIS  90           HE2      HIS  90 -11.207   8.122  -2.355
  612    H    LEU  91           H        LEU  91  -7.144   7.288  -8.074
  613    HA   LEU  91           HA       LEU  91  -6.380   5.150  -9.825
  614    HB2  LEU  91           HB2      LEU  91  -4.962   6.649 -10.889
  615    HB3  LEU  91           HB3      LEU  91  -6.362   7.554 -10.379
  616    HG   LEU  91           HG       LEU  91  -4.778   8.173  -8.289
  617   HD11  LEU  91          HD11      LEU  91  -2.814   7.564 -10.558
  618   HD12  LEU  91          HD12      LEU  91  -2.423   8.516  -9.122
  619   HD13  LEU  91          HD13      LEU  91  -2.829   6.806  -8.953
  620   HD21  LEU  91          HD21      LEU  91  -5.792   9.798  -9.803
  621   HD22  LEU  91          HD22      LEU  91  -4.099  10.209  -9.509
  622   HD23  LEU  91          HD23      LEU  91  -4.566   9.444 -11.045
  623    H    GLY  92           H        GLY  92  -5.021   6.197  -6.744
  624    HA2  GLY  92           HA2      GLY  92  -2.764   4.341  -6.867
  625    HA3  GLY  92           HA3      GLY  92  -3.257   5.383  -5.508
  626    H    ASP  93           H        ASP  93  -5.765   3.322  -6.729
  627    HA   ASP  93           HA       ASP  93  -5.431   1.426  -4.460
  628    HB2  ASP  93           HB2      ASP  93  -7.744   1.961  -6.366
  629    HB3  ASP  93           HB3      ASP  93  -7.713   0.641  -5.216
  630    H    LEU  94           H        LEU  94  -4.467  -0.475  -4.802
  631    HA   LEU  94           HA       LEU  94  -4.158  -1.525  -7.572
  632    HB2  LEU  94           HB2      LEU  94  -2.254  -1.963  -5.232
  633    HB3  LEU  94           HB3      LEU  94  -1.997  -2.425  -6.853
  634    HG   LEU  94           HG       LEU  94  -0.582  -0.693  -6.670
  635   HD11  LEU  94          HD11      LEU  94  -2.907   1.062  -7.501
  636   HD12  LEU  94          HD12      LEU  94  -1.236   1.112  -8.046
  637   HD13  LEU  94          HD13      LEU  94  -2.297  -0.219  -8.566
  638   HD21  LEU  94          HD21      LEU  94  -0.968  -0.027  -4.502
  639   HD22  LEU  94          HD22      LEU  94  -0.862   1.390  -5.558
  640   HD23  LEU  94          HD23      LEU  94  -2.455   0.848  -5.016
  641    HA   PRO  95           HA       PRO  95  -6.068  -5.221  -6.017
  642    HB2  PRO  95           HB2      PRO  95  -5.033  -7.205  -7.549
  643    HB3  PRO  95           HB3      PRO  95  -6.055  -5.903  -8.240
  644    HG2  PRO  95           HG2      PRO  95  -3.020  -6.066  -8.184
  645    HG3  PRO  95           HG3      PRO  95  -4.077  -5.719  -9.592
  646    HD2  PRO  95           HD2      PRO  95  -2.901  -3.763  -8.105
  647    HD3  PRO  95           HD3      PRO  95  -4.524  -3.532  -8.833
  648    H    VAL  96           H        VAL  96  -5.565  -7.474  -5.186
  649    HA   VAL  96           HA       VAL  96  -4.065  -6.889  -2.895
  650    HB   VAL  96           HB       VAL  96  -4.760  -9.047  -1.979
  651   HG11  VAL  96          HG11      VAL  96  -7.000  -7.617  -3.479
  652   HG12  VAL  96          HG12      VAL  96  -7.142  -8.564  -1.989
  653   HG13  VAL  96          HG13      VAL  96  -6.237  -7.037  -1.987
  654   HG21  VAL  96          HG21      VAL  96  -4.676 -10.527  -3.943
  655   HG22  VAL  96          HG22      VAL  96  -6.296 -10.514  -3.247
  656   HG23  VAL  96          HG23      VAL  96  -5.969  -9.595  -4.731
  657    H    LEU  97           H        LEU  97  -2.283  -7.351  -2.083
  658    HA   LEU  97           HA       LEU  97  -0.063  -8.795  -3.281
  659    HB2  LEU  97           HB2      LEU  97  -0.105  -6.675  -1.788
  660    HB3  LEU  97           HB3      LEU  97  -0.546  -7.690  -0.479
  661    HG   LEU  97           HG       LEU  97   1.597  -7.662   0.025
  662   HD11  LEU  97          HD11      LEU  97   1.976  -9.516  -2.358
  663   HD12  LEU  97          HD12      LEU  97   3.094  -9.319  -0.992
  664   HD13  LEU  97          HD13      LEU  97   1.495 -10.016  -0.708
  665   HD21  LEU  97          HD21      LEU  97   2.071  -5.875  -1.512
  666   HD22  LEU  97          HD22      LEU  97   3.437  -7.004  -1.415
  667   HD23  LEU  97          HD23      LEU  97   2.358  -7.038  -2.834
  668    H    VAL  98           H        VAL  98  -0.831 -10.934  -3.550
  669    HA   VAL  98           HA       VAL  98  -1.932 -12.519  -1.367
  670    HB   VAL  98           HB       VAL  98  -0.696 -13.471  -3.977
  671   HG11  VAL  98          HG11      VAL  98  -2.549 -14.878  -1.987
  672   HG12  VAL  98          HG12      VAL  98  -2.084 -15.519  -3.578
  673   HG13  VAL  98          HG13      VAL  98  -0.860 -15.311  -2.327
  674   HG21  VAL  98          HG21      VAL  98  -2.578 -12.007  -4.476
  675   HG22  VAL  98          HG22      VAL  98  -3.062 -13.680  -4.754
  676   HG23  VAL  98          HG23      VAL  98  -3.595 -12.841  -3.281
  677    H    VAL  99           H        VAL  99  -0.890 -13.965   0.004
  678    HA   VAL  99           HA       VAL  99   2.102 -13.688   0.195
  679    HB   VAL  99           HB       VAL  99   0.002 -13.823   2.407
  680   HG11  VAL  99          HG11      VAL  99   2.991 -13.312   2.537
  681   HG12  VAL  99          HG12      VAL  99   1.861 -13.009   3.876
  682   HG13  VAL  99          HG13      VAL  99   2.140 -14.672   3.285
  683   HG21  VAL  99          HG21      VAL  99  -0.044 -11.661   1.254
  684   HG22  VAL  99          HG22      VAL  99   0.622 -11.532   2.895
  685   HG23  VAL  99          HG23      VAL  99   1.705 -11.479   1.483
  686    H    ASN 100           H        ASN 100   3.271 -15.616   0.472
  687    HA   ASN 100           HA       ASN 100   1.748 -17.995  -0.185
  688    HB2  ASN 100           HB2      ASN 100   3.578 -18.461  -1.320
  689    HB3  ASN 100           HB3      ASN 100   4.419 -17.102  -0.630
  690   HD21  ASN 100          HD21      ASN 100   5.727 -17.441   1.254
  691   HD22  ASN 100          HD22      ASN 100   6.347 -19.078   1.607
  692    H    ASN 101           H        ASN 101   1.400 -19.773   0.926
  693    HA   ASN 101           HA       ASN 101   1.381 -19.737   3.826
  694    HB2  ASN 101           HB2      ASN 101   0.288 -22.002   3.497
  695    HB3  ASN 101           HB3      ASN 101  -0.543 -20.595   2.837
  696   HD21  ASN 101          HD21      ASN 101   1.909 -23.035   1.763
  697   HD22  ASN 101          HD22      ASN 101   1.265 -23.071   0.120
  698    H    ASP 102           H        ASP 102   3.788 -19.365   3.509
  699    HA   ASP 102           HA       ASP 102   4.853 -21.513   5.155
  700    HB2  ASP 102           HB2      ASP 102   5.512 -21.914   2.633
  701    HB3  ASP 102           HB3      ASP 102   6.651 -20.596   2.898
  702    H    GLY 103           H        GLY 103   4.169 -18.407   4.863
  703    HA2  GLY 103           HA2      GLY 103   4.562 -16.872   6.601
  704    HA3  GLY 103           HA3      GLY 103   6.200 -17.519   6.839
  705    H    ILE 104           H        ILE 104   5.586 -16.967   3.544
  706    HA   ILE 104           HA       ILE 104   7.075 -14.368   3.642
  707    HB   ILE 104           HB       ILE 104   7.721 -16.753   1.837
  708   HG12  ILE 104          HG12      ILE 104   9.286 -15.907   4.306
  709   HG13  ILE 104          HG13      ILE 104   8.291 -17.338   4.183
  710   HG21  ILE 104          HG21      ILE 104   9.432 -14.289   2.336
  711   HG22  ILE 104          HG22      ILE 104   9.694 -15.569   1.140
  712   HG23  ILE 104          HG23      ILE 104   8.343 -14.475   0.945
  713   HD11  ILE 104          HD11      ILE 104  10.858 -16.815   2.658
  714   HD12  ILE 104          HD12      ILE 104  10.551 -18.017   3.916
  715   HD13  ILE 104          HD13      ILE 104   9.760 -18.184   2.338
  716    H    ALA 105           H        ALA 105   6.468 -12.858   2.181
  717    HA   ALA 105           HA       ALA 105   4.363 -13.528   0.182
  718    HB1  ALA 105           HB1      ALA 105   5.629 -10.873   0.991
  719    HB2  ALA 105           HB2      ALA 105   4.356 -11.087  -0.234
  720    HB3  ALA 105           HB3      ALA 105   4.018 -11.467   1.454
  721    H    THR 106           H        THR 106   4.911 -14.074  -1.817
  722    HA   THR 106           HA       THR 106   7.427 -13.072  -3.073
  723    HB   THR 106           HB       THR 106   7.744 -15.274  -1.960
  724    HG1  THR 106           HG1      THR 106   7.973 -14.957  -4.741
  725   HG21  THR 106          HG21      THR 106   6.003 -16.377  -4.226
  726   HG22  THR 106          HG22      THR 106   6.896 -17.301  -3.006
  727   HG23  THR 106          HG23      THR 106   5.508 -16.312  -2.526
  728    H    GLU 107           H        GLU 107   4.163 -13.145  -3.436
  729    HA   GLU 107           HA       GLU 107   3.964 -14.148  -6.150
  730    HB2  GLU 107           HB2      GLU 107   1.839 -12.823  -4.444
  731    HB3  GLU 107           HB3      GLU 107   1.588 -13.807  -5.875
  732    HG2  GLU 107           HG2      GLU 107   2.667 -14.771  -3.179
  733    HG3  GLU 107           HG3      GLU 107   1.043 -15.006  -3.793
  734    HA   PRO 108           HA       PRO 108   4.545  -9.900  -7.738
  735    HB2  PRO 108           HB2      PRO 108   4.369 -10.396 -10.413
  736    HB3  PRO 108           HB3      PRO 108   5.790 -10.852  -9.426
  737    HG2  PRO 108           HG2      PRO 108   3.442 -12.606 -10.228
  738    HG3  PRO 108           HG3      PRO 108   5.195 -12.969 -10.371
  739    HD2  PRO 108           HD2      PRO 108   3.718 -13.851  -8.256
  740    HD3  PRO 108           HD3      PRO 108   5.407 -13.313  -8.041
  741    H    VAL 109           H        VAL 109   3.259  -8.248  -8.440
  742    HA   VAL 109           HA       VAL 109   0.743  -8.810  -9.894
  743    HB   VAL 109           HB       VAL 109  -0.531  -7.089  -8.717
  744   HG11  VAL 109          HG11      VAL 109   0.408  -9.199  -6.731
  745   HG12  VAL 109          HG12      VAL 109  -1.108  -8.276  -6.680
  746   HG13  VAL 109          HG13      VAL 109  -0.829  -9.429  -7.988
  747   HG21  VAL 109          HG21      VAL 109   1.257  -5.683  -7.785
  748   HG22  VAL 109          HG22      VAL 109   0.133  -6.195  -6.526
  749   HG23  VAL 109          HG23      VAL 109   1.712  -6.991  -6.661
  750    H    THR 110           H        THR 110   0.051  -6.956 -11.210
  751    HA   THR 110           HA       THR 110   2.099  -4.777 -11.479
  752    HB   THR 110           HB       THR 110   0.256  -5.816 -13.655
  753    HG1  THR 110           HG1      THR 110   2.069  -6.611 -14.518
  754   HG21  THR 110          HG21      THR 110   2.411  -3.628 -13.680
  755   HG22  THR 110          HG22      THR 110   1.657  -4.314 -15.129
  756   HG23  THR 110          HG23      THR 110   0.675  -3.406 -13.994
  757    H    ALA 111           H        ALA 111   1.414  -2.763 -11.328
  758    HA   ALA 111           HA       ALA 111  -1.464  -2.180 -10.795
  759    HB1  ALA 111           HB1      ALA 111   1.144  -0.745 -10.189
  760    HB2  ALA 111           HB2      ALA 111  -0.440  -0.020  -9.936
  761    HB3  ALA 111           HB3      ALA 111   0.024  -1.491  -9.036
  762    HA   PRO 112           HA       PRO 112  -0.864  -0.490 -15.092
  763    HB2  PRO 112           HB2      PRO 112  -3.185  -1.345 -16.239
  764    HB3  PRO 112           HB3      PRO 112  -1.801  -2.450 -15.989
  765    HG2  PRO 112           HG2      PRO 112  -4.214  -2.077 -14.177
  766    HG3  PRO 112           HG3      PRO 112  -3.565  -3.611 -14.852
  767    HD2  PRO 112           HD2      PRO 112  -2.884  -2.778 -12.363
  768    HD3  PRO 112           HD3      PRO 112  -1.689  -3.554 -13.445
  769    H    ARG 113           H        ARG 113  -2.719   0.294 -12.444
  770    HA   ARG 113           HA       ARG 113  -4.479   2.235 -13.690
  771    HB2  ARG 113           HB2      ARG 113  -4.710   0.858 -11.461
  772    HB3  ARG 113           HB3      ARG 113  -3.795   2.180 -10.736
  773    HG2  ARG 113           HG2      ARG 113  -5.497   3.781 -11.425
  774    HG3  ARG 113           HG3      ARG 113  -6.310   2.607 -12.427
  775    HD2  ARG 113           HD2      ARG 113  -6.152   2.609  -9.388
  776    HD3  ARG 113           HD3      ARG 113  -7.568   2.980 -10.358
  777    HE   ARG 113           HE       ARG 113  -7.133   0.583  -9.253
  778   HH11  ARG 113          HH11      ARG 113  -7.366   1.293 -12.731
  779   HH12  ARG 113          HH12      ARG 113  -8.068  -0.270 -13.047
  780   HH21  ARG 113          HH21      ARG 113  -8.112  -1.211  -9.717
  781   HH22  ARG 113          HH22      ARG 113  -8.441  -1.722 -11.351
  782    H    LEU 114           H        LEU 114  -1.203   2.240 -12.567
  783    HA   LEU 114           HA       LEU 114  -0.840   5.156 -13.168
  784    HB2  LEU 114           HB2      LEU 114   0.823   3.191 -11.516
  785    HB3  LEU 114           HB3      LEU 114   1.470   4.685 -12.155
  786    HG   LEU 114           HG       LEU 114  -0.451   5.914 -10.940
  787   HD11  LEU 114          HD11      LEU 114  -0.478   3.249  -9.437
  788   HD12  LEU 114          HD12      LEU 114  -1.181   4.764  -8.829
  789   HD13  LEU 114          HD13      LEU 114  -1.853   4.010 -10.271
  790   HD21  LEU 114          HD21      LEU 114   1.898   6.074 -10.298
  791   HD22  LEU 114          HD22      LEU 114   0.897   5.958  -8.847
  792   HD23  LEU 114          HD23      LEU 114   1.803   4.536  -9.425
  793    H    LYS 115           H        LYS 115   1.542   5.363 -14.208
  794    HA   LYS 115           HA       LYS 115   1.848   3.281 -16.339
  795    HB2  LYS 115           HB2      LYS 115   0.433   5.223 -17.090
  796    HB3  LYS 115           HB3      LYS 115   1.756   6.309 -16.701
  797    HG2  LYS 115           HG2      LYS 115   1.683   5.958 -19.096
  798    HG3  LYS 115           HG3      LYS 115   3.158   5.297 -18.450
  799    HD2  LYS 115           HD2      LYS 115   2.653   3.542 -19.773
  800    HD3  LYS 115           HD3      LYS 115   1.667   3.004 -18.439
  801    HE2  LYS 115           HE2      LYS 115   0.774   4.504 -20.936
  802    HE3  LYS 115           HE3      LYS 115   0.457   2.810 -20.524
  803    HZ1  LYS 115           HZ1      LYS 115  -0.654   5.209 -19.171
  804    HZ2  LYS 115           HZ2      LYS 115  -1.484   4.138 -20.063
  805    HZ3  LYS 115           HZ3      LYS 115  -0.876   3.672 -18.609
  806    H    SER 116           H        SER 116   3.497   5.404 -14.107
  807    HA   SER 116           HA       SER 116   6.136   4.431 -15.107
  808    HB2  SER 116           HB2      SER 116   5.512   6.426 -16.434
  809    HB3  SER 116           HB3      SER 116   5.189   7.333 -14.955
  810    HG   SER 116           HG       SER 116   7.749   6.213 -15.555
  811    H    LEU 117           H        LEU 117   7.957   5.249 -13.771
  812    HA   LEU 117           HA       LEU 117   7.191   4.976 -10.927
  813    HB2  LEU 117           HB2      LEU 117   9.120   3.697 -12.467
  814    HB3  LEU 117           HB3      LEU 117  10.093   4.871 -11.608
  815    HG   LEU 117           HG       LEU 117   8.027   3.255 -10.114
  816   HD11  LEU 117          HD11      LEU 117  10.677   2.039 -10.813
  817   HD12  LEU 117          HD12      LEU 117   9.636   1.501  -9.474
  818   HD13  LEU 117          HD13      LEU 117   9.054   1.387 -11.150
  819   HD21  LEU 117          HD21      LEU 117   9.587   5.039  -9.016
  820   HD22  LEU 117          HD22      LEU 117   9.735   3.423  -8.283
  821   HD23  LEU 117          HD23      LEU 117  10.950   3.961  -9.459
  822    H    ASP 118           H        ASP 118   8.645   7.363 -13.083
  823    HA   ASP 118           HA       ASP 118   9.636   9.155 -11.139
  824    HB2  ASP 118           HB2      ASP 118   8.371   9.771 -13.840
  825    HB3  ASP 118           HB3      ASP 118   9.421  10.850 -12.913
  826    H    GLU 119           H        GLU 119   6.286   8.624 -12.153
  827    HA   GLU 119           HA       GLU 119   5.213  10.974 -10.828
  828    HB2  GLU 119           HB2      GLU 119   3.017   9.854 -11.076
  829    HB3  GLU 119           HB3      GLU 119   3.910  10.037 -12.585
  830    HG2  GLU 119           HG2      GLU 119   4.577   7.718 -12.564
  831    HG3  GLU 119           HG3      GLU 119   3.823   7.450 -10.983
  832    H    VAL 120           H        VAL 120   6.457   7.998  -9.561
  833    HA   VAL 120           HA       VAL 120   5.074   8.553  -6.994
  834    HB   VAL 120           HB       VAL 120   5.402   6.311  -6.238
  835   HG11  VAL 120          HG11      VAL 120   4.068   6.267  -8.961
  836   HG12  VAL 120          HG12      VAL 120   3.758   5.196  -7.584
  837   HG13  VAL 120          HG13      VAL 120   3.336   6.915  -7.480
  838   HG21  VAL 120          HG21      VAL 120   7.469   5.714  -7.587
  839   HG22  VAL 120          HG22      VAL 120   6.198   4.481  -7.554
  840   HG23  VAL 120          HG23      VAL 120   6.389   5.497  -8.985
  841    H    LYS 121           H        LYS 121   7.772   9.627  -8.254
  842    HA   LYS 121           HA       LYS 121   9.858   8.644  -6.645
  843    HB2  LYS 121           HB2      LYS 121  11.156  10.498  -7.349
  844    HB3  LYS 121           HB3      LYS 121  10.154   9.968  -8.697
  845    HG2  LYS 121           HG2      LYS 121   8.618  11.897  -8.308
  846    HG3  LYS 121           HG3      LYS 121   9.608  12.412  -6.937
  847    HD2  LYS 121           HD2      LYS 121  11.518  12.838  -8.337
  848    HD3  LYS 121           HD3      LYS 121  10.739  12.103  -9.754
  849    HE2  LYS 121           HE2      LYS 121   9.166  13.876  -9.971
  850    HE3  LYS 121           HE3      LYS 121   9.521  14.499  -8.349
  851    HZ1  LYS 121           HZ1      LYS 121  11.546  14.548 -10.514
  852    HZ2  LYS 121           HZ2      LYS 121  10.559  15.815 -10.168
  853    HZ3  LYS 121           HZ3      LYS 121  11.615  15.256  -9.039
  854    H    ASP 122           H        ASP 122   7.370  10.746  -5.606
  855    HA   ASP 122           HA       ASP 122   8.357  10.375  -2.862
  856    HB2  ASP 122           HB2      ASP 122   8.873  12.761  -3.485
  857    HB3  ASP 122           HB3      ASP 122   7.153  13.039  -3.724
  858    H    LYS 123           H        LYS 123   6.949   8.884  -2.349
  859    HA   LYS 123           HA       LYS 123   4.158   9.413  -1.889
  860    HB2  LYS 123           HB2      LYS 123   4.869   7.065  -3.723
  861    HB3  LYS 123           HB3      LYS 123   3.312   7.325  -2.982
  862    HG2  LYS 123           HG2      LYS 123   4.600   9.054  -5.073
  863    HG3  LYS 123           HG3      LYS 123   3.327   7.869  -5.354
  864    HD2  LYS 123           HD2      LYS 123   1.729   9.134  -4.050
  865    HD3  LYS 123           HD3      LYS 123   2.967  10.283  -3.546
  866    HE2  LYS 123           HE2      LYS 123   1.884   9.872  -6.345
  867    HE3  LYS 123           HE3      LYS 123   1.617  11.269  -5.279
  868    HZ1  LYS 123           HZ1      LYS 123   4.032  10.548  -6.772
  869    HZ2  LYS 123           HZ2      LYS 123   3.323  12.003  -6.632
  870    HZ3  LYS 123           HZ3      LYS 123   4.191  11.393  -5.354
  871    H    ALA 124           H        ALA 124   3.214   7.667  -0.579
  872    HA   ALA 124           HA       ALA 124   5.212   5.784   0.622
  873    HB1  ALA 124           HB1      ALA 124   2.583   6.812   1.749
  874    HB2  ALA 124           HB2      ALA 124   3.554   5.499   2.462
  875    HB3  ALA 124           HB3      ALA 124   4.217   7.127   2.351
  876    H    LEU 125           H        LEU 125   4.534   3.643   0.938
  877    HA   LEU 125           HA       LEU 125   2.515   2.509  -0.978
  878    HB2  LEU 125           HB2      LEU 125   5.368   1.665  -0.295
  879    HB3  LEU 125           HB3      LEU 125   4.260   0.653  -1.203
  880    HG   LEU 125           HG       LEU 125   4.806   3.452  -2.238
  881   HD11  LEU 125          HD11      LEU 125   6.695   1.080  -2.430
  882   HD12  LEU 125          HD12      LEU 125   6.769   2.527  -3.469
  883   HD13  LEU 125          HD13      LEU 125   7.017   2.682  -1.724
  884   HD21  LEU 125          HD21      LEU 125   3.137   1.888  -3.319
  885   HD22  LEU 125          HD22      LEU 125   4.454   2.417  -4.391
  886   HD23  LEU 125          HD23      LEU 125   4.490   0.794  -3.685
  887    H    MET 126           H        MET 126   1.008   1.426   0.265
  888    HA   MET 126           HA       MET 126   1.917   0.379   2.937
  889    HB2  MET 126           HB2      MET 126  -0.712   1.701   2.197
  890    HB3  MET 126           HB3      MET 126  -0.423   0.802   3.701
  891    HG2  MET 126           HG2      MET 126   1.505   2.292   4.219
  892    HG3  MET 126           HG3      MET 126   1.169   3.228   2.774
  893    HE1  MET 126           HE1      MET 126   1.380   5.276   4.327
  894    HE2  MET 126           HE2      MET 126   0.342   5.617   5.732
  895    HE3  MET 126           HE3      MET 126   1.531   4.295   5.783
  896    H    ILE 127           H        ILE 127   1.834  -1.653   3.222
  897    HA   ILE 127           HA       ILE 127   0.042  -3.430   1.598
  898    HB   ILE 127           HB       ILE 127   2.355  -4.086   3.474
  899   HG12  ILE 127          HG12      ILE 127   1.935  -4.541   0.473
  900   HG13  ILE 127          HG13      ILE 127   2.954  -3.290   1.171
  901   HG21  ILE 127          HG21      ILE 127   0.494  -6.002   1.976
  902   HG22  ILE 127          HG22      ILE 127   1.905  -6.469   2.952
  903   HG23  ILE 127          HG23      ILE 127   0.510  -5.760   3.737
  904   HD11  ILE 127          HD11      ILE 127   3.433  -6.292   1.302
  905   HD12  ILE 127          HD12      ILE 127   4.385  -5.066   0.464
  906   HD13  ILE 127          HD13      ILE 127   4.366  -5.098   2.238
  907    H    HIS 128           H        HIS 128  -1.833  -3.702   2.353
  908    HA   HIS 128           HA       HIS 128  -2.543  -2.717   5.024
  909    HB2  HIS 128           HB2      HIS 128  -3.602  -2.716   2.264
  910    HB3  HIS 128           HB3      HIS 128  -4.840  -2.973   3.403
  911    HD1  HIS 128           HD1      HIS 128  -5.082  -0.986   5.343
  912    HD2  HIS 128           HD2      HIS 128  -2.612  -0.327   2.033
  913    HE1  HIS 128           HE1      HIS 128  -4.833   1.569   5.149
  914    H    VAL 129           H        VAL 129  -4.176  -3.755   6.392
  915    HA   VAL 129           HA       VAL 129  -3.020  -6.259   6.961
  916    HB   VAL 129           HB       VAL 129  -4.708  -6.601   8.753
  917   HG11  VAL 129          HG11      VAL 129  -3.312  -3.913   8.675
  918   HG12  VAL 129          HG12      VAL 129  -3.921  -4.734  10.129
  919   HG13  VAL 129          HG13      VAL 129  -2.624  -5.456   9.171
  920   HG21  VAL 129          HG21      VAL 129  -6.684  -5.536   7.745
  921   HG22  VAL 129          HG22      VAL 129  -6.301  -4.839   9.320
  922   HG23  VAL 129          HG23      VAL 129  -5.900  -3.951   7.837
  923    H    GLY 130           H        GLY 130  -6.013  -5.740   5.197
  924    HA2  GLY 130           HA2      GLY 130  -5.981  -8.611   4.422
  925    HA3  GLY 130           HA3      GLY 130  -7.513  -7.867   4.897
  926    H    GLY 131           H        GLY 131  -7.087  -8.899   2.348
  927    HA2  GLY 131           HA2      GLY 131  -6.513  -7.313   0.237
  928    HA3  GLY 131           HA3      GLY 131  -7.885  -8.412   0.258
  929    H    ASP 132           H        ASP 132  -7.270  -5.678  -0.886
  930    HA   ASP 132           HA       ASP 132  -9.442  -3.981   0.233
  931    HB2  ASP 132           HB2      ASP 132  -6.815  -3.558  -1.154
  932    HB3  ASP 132           HB3      ASP 132  -8.102  -2.503  -1.641
  933    H    ASN 133           H        ASN 133 -11.340  -4.228  -0.740
  934    HA   ASN 133           HA       ASN 133 -11.729  -4.155  -3.595
  935    HB2  ASN 133           HB2      ASN 133 -10.854  -6.578  -2.979
  936    HB3  ASN 133           HB3      ASN 133 -12.479  -6.824  -2.383
  937   HD21  ASN 133          HD21      ASN 133 -14.263  -6.531  -4.016
  938   HD22  ASN 133          HD22      ASN 133 -13.881  -6.972  -5.682
  939    H    MET 134           H        MET 134 -12.749  -2.543  -1.558
  940    HA   MET 134           HA       MET 134 -15.655  -3.268  -1.364
  941    HB2  MET 134           HB2      MET 134 -13.698  -2.742   0.888
  942    HB3  MET 134           HB3      MET 134 -15.431  -2.545   1.107
  943    HG2  MET 134           HG2      MET 134 -15.891  -4.818   0.837
  944    HG3  MET 134           HG3      MET 134 -14.376  -5.166   0.018
  945    HE1  MET 134           HE1      MET 134 -12.005  -4.319   1.470
  946    HE2  MET 134           HE2      MET 134 -11.748  -5.564   2.703
  947    HE3  MET 134           HE3      MET 134 -12.276  -6.033   1.084
  948    H    SER 135           H        SER 135 -16.637  -1.602  -2.389
  949    HA   SER 135           HA       SER 135 -15.986   1.202  -1.687
  950    HB2  SER 135           HB2      SER 135 -18.249   0.223  -3.444
  951    HB3  SER 135           HB3      SER 135 -17.500   1.823  -3.421
  952    HG   SER 135           HG       SER 135 -15.628   0.888  -4.370
  953    H    ASP 136           H        ASP 136 -17.641   2.628  -0.916
  954    HA   ASP 136           HA       ASP 136 -19.192   3.314   0.610
  955    HB2  ASP 136           HB2      ASP 136 -20.720   1.669  -1.418
  956    HB3  ASP 136           HB3      ASP 136 -21.484   2.804  -0.301
  957    H    GLN 137           H        GLN 137 -17.933   1.098   1.814
  958    HA   GLN 137           HA       GLN 137 -20.136   0.001   3.505
  959    HB2  GLN 137           HB2      GLN 137 -17.478  -1.142   2.596
  960    HB3  GLN 137           HB3      GLN 137 -18.274  -1.762   4.048
  961    HG2  GLN 137           HG2      GLN 137 -20.148  -2.571   2.873
  962    HG3  GLN 137           HG3      GLN 137 -19.857  -1.544   1.474
  963   HE21  GLN 137          HE21      GLN 137 -18.447  -2.206  -0.146
  964   HE22  GLN 137          HE22      GLN 137 -17.829  -3.878  -0.168
  965    HA   PRO 138           HA       PRO 138 -18.438   2.426   6.735
  966    HB2  PRO 138           HB2      PRO 138 -19.510   1.275   8.973
  967    HB3  PRO 138           HB3      PRO 138 -20.510   2.043   7.709
  968    HG2  PRO 138           HG2      PRO 138 -19.828  -0.909   7.984
  969    HG3  PRO 138           HG3      PRO 138 -21.455  -0.165   7.805
  970    HD2  PRO 138           HD2      PRO 138 -20.105  -1.145   5.671
  971    HD3  PRO 138           HD3      PRO 138 -21.078   0.353   5.545
  972    H    LYS 139           H        LYS 139 -16.711   0.010   5.833
  973    HA   LYS 139           HA       LYS 139 -15.073  -0.299   8.303
  974    HB2  LYS 139           HB2      LYS 139 -15.156  -2.037   5.823
  975    HB3  LYS 139           HB3      LYS 139 -13.962  -2.175   7.136
  976    HG2  LYS 139           HG2      LYS 139 -15.870  -2.385   8.774
  977    HG3  LYS 139           HG3      LYS 139 -16.995  -2.438   7.413
  978    HD2  LYS 139           HD2      LYS 139 -15.911  -4.526   6.616
  979    HD3  LYS 139           HD3      LYS 139 -14.814  -4.472   8.026
  980    HE2  LYS 139           HE2      LYS 139 -16.816  -4.425   9.543
  981    HE3  LYS 139           HE3      LYS 139 -17.872  -4.537   8.137
  982    HZ1  LYS 139           HZ1      LYS 139 -15.985  -6.600   9.082
  983    HZ2  LYS 139           HZ2      LYS 139 -17.624  -6.652   9.101
  984    HZ3  LYS 139           HZ3      LYS 139 -16.807  -6.706   7.654
  985    HA   PRO 140           HA       PRO 140 -13.491   3.242   6.593
  986    HB2  PRO 140           HB2      PRO 140 -11.168   3.699   8.084
  987    HB3  PRO 140           HB3      PRO 140 -12.842   4.021   8.613
  988    HG2  PRO 140           HG2      PRO 140 -11.130   1.581   9.150
  989    HG3  PRO 140           HG3      PRO 140 -12.168   2.488  10.302
  990    HD2  PRO 140           HD2      PRO 140 -13.039   0.202   9.176
  991    HD3  PRO 140           HD3      PRO 140 -14.154   1.596   9.346
  992    H    LEU 141           H        LEU 141 -12.011   4.277   5.349
  993    HA   LEU 141           HA       LEU 141 -10.481   4.629   3.756
  994    HB2  LEU 141           HB2      LEU 141  -9.028   3.495   5.729
  995    HB3  LEU 141           HB3      LEU 141  -8.842   2.228   4.518
  996    HG   LEU 141           HG       LEU 141  -8.100   4.133   2.924
  997   HD11  LEU 141          HD11      LEU 141  -7.771   5.613   5.559
  998   HD12  LEU 141          HD12      LEU 141  -7.121   6.127   3.989
  999   HD13  LEU 141          HD13      LEU 141  -8.870   6.068   4.243
 1000   HD21  LEU 141          HD21      LEU 141  -6.553   2.476   3.843
 1001   HD22  LEU 141          HD22      LEU 141  -5.775   4.070   3.840
 1002   HD23  LEU 141          HD23      LEU 141  -6.418   3.401   5.354
 1003    H    GLY 142           H        GLY 142 -12.436   2.000   3.668
 1004    HA2  GLY 142           HA2      GLY 142 -13.355   1.232   1.540
 1005    HA3  GLY 142           HA3      GLY 142 -11.720   1.316   0.844
 1006    H    GLY 143           H        GLY 143 -12.742  -0.061   3.967
 1007    HA2  GLY 143           HA2      GLY 143 -12.852  -2.248   4.725
 1008    HA3  GLY 143           HA3      GLY 143 -12.457  -2.834   3.094
 1009    H    GLY 144           H        GLY 144  -9.968  -1.580   2.664
 1010    HA2  GLY 144           HA2      GLY 144  -8.197  -3.370   3.897
 1011    HA3  GLY 144           HA3      GLY 144  -7.735  -1.889   3.037
 1012    H    GLY 145           H        GLY 145  -9.260  -0.326   5.187
 1013    HA2  GLY 145           HA2      GLY 145  -8.810   0.766   7.190
 1014    HA3  GLY 145           HA3      GLY 145  -8.843  -0.910   7.713
 1015    H    THR 146           H        THR 146  -7.162  -1.669   8.776
 1016    HA   THR 146           HA       THR 146  -4.982   0.034   9.547
 1017    HB   THR 146           HB       THR 146  -5.408  -2.914  10.121
 1018    HG1  THR 146           HG1      THR 146  -6.434  -2.111  11.948
 1019   HG21  THR 146          HG21      THR 146  -3.809  -0.764  11.592
 1020   HG22  THR 146          HG22      THR 146  -4.188  -2.369  12.244
 1021   HG23  THR 146          HG23      THR 146  -3.156  -2.233  10.825
 1022    H    ARG 147           H        ARG 147  -2.731  -0.430   9.374
 1023    HA   ARG 147           HA       ARG 147  -1.924  -1.408   6.665
 1024    HB2  ARG 147           HB2      ARG 147  -0.560   0.460   8.645
 1025    HB3  ARG 147           HB3      ARG 147   0.068   0.003   7.070
 1026    HG2  ARG 147           HG2      ARG 147  -0.746   2.234   7.003
 1027    HG3  ARG 147           HG3      ARG 147  -1.773   1.244   5.966
 1028    HD2  ARG 147           HD2      ARG 147  -3.616   1.423   7.443
 1029    HD3  ARG 147           HD3      ARG 147  -2.593   1.896   8.811
 1030    HE   ARG 147           HE       ARG 147  -2.190   4.008   7.243
 1031   HH11  ARG 147          HH11      ARG 147  -5.420   2.514   7.799
 1032   HH12  ARG 147          HH12      ARG 147  -6.113   4.110   8.039
 1033   HH21  ARG 147          HH21      ARG 147  -3.326   5.963   7.594
 1034   HH22  ARG 147          HH22      ARG 147  -5.063   5.876   7.841
 1035    H    TYR 148           H        TYR 148  -0.519  -3.230   6.602
 1036    HA   TYR 148           HA       TYR 148   0.448  -4.356   9.188
 1037    HB2  TYR 148           HB2      TYR 148  -0.575  -5.769   7.215
 1038    HB3  TYR 148           HB3      TYR 148   1.037  -5.720   6.510
 1039    HD1  TYR 148           HD1      TYR 148  -1.010  -7.056   9.243
 1040    HD2  TYR 148           HD2      TYR 148   2.977  -6.738   7.627
 1041    HE1  TYR 148           HE1      TYR 148  -0.284  -8.945  10.676
 1042    HE2  TYR 148           HE2      TYR 148   3.704  -8.640   9.054
 1043    HH   TYR 148           HH       TYR 148   1.482 -10.249  11.350
 1044    H    ALA 149           H        ALA 149   1.665  -2.946   6.132
 1045    HA   ALA 149           HA       ALA 149   4.061  -2.002   7.541
 1046    HB1  ALA 149           HB1      ALA 149   4.258  -3.842   5.109
 1047    HB2  ALA 149           HB2      ALA 149   5.614  -2.997   5.881
 1048    HB3  ALA 149           HB3      ALA 149   4.743  -4.256   6.772
 1049    H    CYS 150           H        CYS 150   5.201  -0.361   6.501
 1050    HA   CYS 150           HA       CYS 150   3.935   0.963   4.162
 1051    HB2  CYS 150           HB2      CYS 150   3.206   2.036   6.237
 1052    HB3  CYS 150           HB3      CYS 150   4.882   2.222   6.750
 1053    H    GLY 151           H        GLY 151   5.355   2.103   2.858
 1054    HA2  GLY 151           HA2      GLY 151   8.321   1.885   3.178
 1055    HA3  GLY 151           HA3      GLY 151   7.541   1.194   1.773
 1056    H    VAL 152           H        VAL 152   9.434   3.419   1.769
 1057    HA   VAL 152           HA       VAL 152   7.775   5.421   0.292
 1058    HB   VAL 152           HB       VAL 152   9.922   5.991   2.366
 1059   HG11  VAL 152          HG11      VAL 152   8.622   7.928   0.408
 1060   HG12  VAL 152          HG12      VAL 152   9.486   8.427   1.878
 1061   HG13  VAL 152          HG13      VAL 152  10.355   7.571   0.610
 1062   HG21  VAL 152          HG21      VAL 152   7.697   5.629   3.342
 1063   HG22  VAL 152          HG22      VAL 152   8.115   7.338   3.445
 1064   HG23  VAL 152          HG23      VAL 152   6.976   6.781   2.199
 1065    H    ILE 153           H        ILE 153   8.591   6.229  -1.532
 1066    HA   ILE 153           HA       ILE 153  10.918   4.921  -2.818
 1067    HB   ILE 153           HB       ILE 153   9.089   7.041  -3.984
 1068   HG12  ILE 153          HG12      ILE 153   8.042   5.026  -5.251
 1069   HG13  ILE 153          HG13      ILE 153   8.666   4.022  -3.952
 1070   HG21  ILE 153          HG21      ILE 153  10.872   4.946  -5.300
 1071   HG22  ILE 153          HG22      ILE 153   9.789   6.054  -6.162
 1072   HG23  ILE 153          HG23      ILE 153  11.147   6.703  -5.274
 1073   HD11  ILE 153          HD11      ILE 153   6.926   6.452  -3.416
 1074   HD12  ILE 153          HD12      ILE 153   6.198   4.906  -3.883
 1075   HD13  ILE 153          HD13      ILE 153   7.135   5.023  -2.385
 1076    H    LYS 154           H        LYS 154  12.790   6.123  -3.625
 1077    HA   LYS 154           HA       LYS 154  13.479   8.461  -2.008
 1078    HB2  LYS 154           HB2      LYS 154  14.911   7.366  -4.452
 1079    HB3  LYS 154           HB3      LYS 154  15.555   8.489  -3.261
 1080    HG2  LYS 154           HG2      LYS 154  15.129   5.517  -3.004
 1081    HG3  LYS 154           HG3      LYS 154  16.585   6.451  -2.856
 1082    HD2  LYS 154           HD2      LYS 154  16.147   5.781  -0.683
 1083    HD3  LYS 154           HD3      LYS 154  15.626   7.459  -0.713
 1084    HE2  LYS 154           HE2      LYS 154  14.072   6.018   0.557
 1085    HE3  LYS 154           HE3      LYS 154  13.264   6.751  -0.828
 1086    HZ1  LYS 154           HZ1      LYS 154  14.279   3.977  -0.650
 1087    HZ2  LYS 154           HZ2      LYS 154  12.698   4.438  -0.678
 1088    HZ3  LYS 154           HZ3      LYS 154  13.599   4.614  -2.027
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1  12.707   0.292 -15.994
    2    H2   ALA   1           H2       ALA   1  13.545   1.559 -16.635
    3    H3   ALA   1           H3       ALA   1  12.112   1.829 -15.871
    4    HA   ALA   1           HA       ALA   1  14.689   1.075 -14.722
    5    HB1  ALA   1           HB1      ALA   1  12.752   3.270 -13.892
    6    HB2  ALA   1           HB2      ALA   1  14.412   3.022 -13.323
    7    HB3  ALA   1           HB3      ALA   1  14.121   3.504 -15.002
    8    H    SER   2           H        SER   2  14.487   1.053 -12.148
    9    HA   SER   2           HA       SER   2  12.125  -0.345 -11.116
   10    HB2  SER   2           HB2      SER   2  14.710  -1.826 -10.826
   11    HB3  SER   2           HB3      SER   2  13.057  -2.436 -10.735
   12    HG   SER   2           HG       SER   2  12.984  -2.482 -12.999
   13    H    GLU   3           H        GLU   3  12.066  -0.350  -8.848
   14    HA   GLU   3           HA       GLU   3  14.425   0.624  -7.405
   15    HB2  GLU   3           HB2      GLU   3  13.350   2.695  -8.227
   16    HB3  GLU   3           HB3      GLU   3  11.839   2.225  -7.413
   17    HG2  GLU   3           HG2      GLU   3  13.146   3.879  -6.119
   18    HG3  GLU   3           HG3      GLU   3  12.912   2.348  -5.253
   19    H    LYS   4           H        LYS   4  14.602  -0.293  -5.572
   20    HA   LYS   4           HA       LYS   4  12.541  -2.184  -4.661
   21    HB2  LYS   4           HB2      LYS   4  14.647  -2.986  -5.577
   22    HB3  LYS   4           HB3      LYS   4  15.574  -1.959  -4.472
   23    HG2  LYS   4           HG2      LYS   4  14.902  -3.233  -2.581
   24    HG3  LYS   4           HG3      LYS   4  13.686  -4.113  -3.530
   25    HD2  LYS   4           HD2      LYS   4  15.737  -5.458  -2.988
   26    HD3  LYS   4           HD3      LYS   4  15.361  -5.351  -4.711
   27    HE2  LYS   4           HE2      LYS   4  17.084  -3.606  -5.008
   28    HE3  LYS   4           HE3      LYS   4  17.465  -3.656  -3.276
   29    HZ1  LYS   4           HZ1      LYS   4  17.693  -6.068  -4.975
   30    HZ2  LYS   4           HZ2      LYS   4  18.916  -5.012  -4.855
   31    HZ3  LYS   4           HZ3      LYS   4  18.416  -5.754  -3.498
   32    H    VAL   5           H        VAL   5  11.193  -1.056  -3.132
   33    HA   VAL   5           HA       VAL   5  12.653   0.488  -1.031
   34    HB   VAL   5           HB       VAL   5  10.311   0.905  -0.099
   35   HG11  VAL   5          HG11      VAL   5  11.026   1.832  -2.879
   36   HG12  VAL   5          HG12      VAL   5   9.991   2.671  -1.669
   37   HG13  VAL   5          HG13      VAL   5  11.727   2.473  -1.359
   38   HG21  VAL   5          HG21      VAL   5   8.899  -0.705  -1.250
   39   HG22  VAL   5          HG22      VAL   5   8.563   0.936  -1.878
   40   HG23  VAL   5          HG23      VAL   5   9.532  -0.186  -2.834
   41    H    GLY   6           H        GLY   6  13.124  -0.045   0.961
   42    HA2  GLY   6           HA2      GLY   6  12.366  -2.578   2.216
   43    HA3  GLY   6           HA3      GLY   6  13.228  -1.207   2.960
   44    H    MET   7           H        MET   7  10.224  -2.819   2.583
   45    HA   MET   7           HA       MET   7   8.580  -0.610   3.677
   46    HB2  MET   7           HB2      MET   7   7.773  -3.495   3.127
   47    HB3  MET   7           HB3      MET   7   6.723  -2.105   3.491
   48    HG2  MET   7           HG2      MET   7   7.848  -1.014   1.397
   49    HG3  MET   7           HG3      MET   7   8.358  -2.648   1.000
   50    HE1  MET   7           HE1      MET   7   5.600  -0.043   1.193
   51    HE2  MET   7           HE2      MET   7   4.088  -0.929   0.937
   52    HE3  MET   7           HE3      MET   7   4.949  -1.076   2.479
   53    H    ASN   8           H        ASN   8   8.096  -0.336   5.778
   54    HA   ASN   8           HA       ASN   8   9.255  -2.230   7.738
   55    HB2  ASN   8           HB2      ASN   8  10.116   0.126   7.368
   56    HB3  ASN   8           HB3      ASN   8   8.613   0.715   8.124
   57   HD21  ASN   8          HD21      ASN   8  11.798  -0.397   8.602
   58   HD22  ASN   8          HD22      ASN   8  11.686  -0.708  10.333
   59    H    LEU   9           H        LEU   9   8.251  -2.761   9.641
   60    HA   LEU   9           HA       LEU   9   5.393  -3.129   9.342
   61    HB2  LEU   9           HB2      LEU   9   7.306  -4.015  11.537
   62    HB3  LEU   9           HB3      LEU   9   5.663  -4.602  11.308
   63    HG   LEU   9           HG       LEU   9   7.972  -5.031   9.352
   64   HD11  LEU   9          HD11      LEU   9   6.618  -6.957  11.281
   65   HD12  LEU   9          HD12      LEU   9   7.887  -7.367  10.105
   66   HD13  LEU   9          HD13      LEU   9   8.251  -6.274  11.451
   67   HD21  LEU   9          HD21      LEU   9   5.866  -4.998   8.125
   68   HD22  LEU   9          HD22      LEU   9   6.433  -6.667   8.265
   69   HD23  LEU   9          HD23      LEU   9   5.117  -6.090   9.313
   70    H    VAL  10           H        VAL  10   5.282  -0.653   9.443
   71    HA   VAL  10           HA       VAL  10   5.398   0.825  11.798
   72    HB   VAL  10           HB       VAL  10   3.641   2.322  10.829
   73   HG11  VAL  10          HG11      VAL  10   5.895   1.500   8.941
   74   HG12  VAL  10          HG12      VAL  10   4.993   3.030   8.897
   75   HG13  VAL  10          HG13      VAL  10   5.997   2.654  10.291
   76   HG21  VAL  10          HG21      VAL  10   2.240   0.716   9.580
   77   HG22  VAL  10          HG22      VAL  10   2.868   1.959   8.512
   78   HG23  VAL  10          HG23      VAL  10   3.597   0.342   8.498
   79    H    THR  11           H        THR  11   4.282   0.966  13.672
   80    HA   THR  11           HA       THR  11   1.496   0.089  13.836
   81    HB   THR  11           HB       THR  11   2.479  -2.059  13.816
   82    HG1  THR  11           HG1      THR  11   1.874  -1.400  16.472
   83   HG21  THR  11          HG21      THR  11   4.108  -1.363  16.306
   84   HG22  THR  11          HG22      THR  11   4.004  -2.922  15.468
   85   HG23  THR  11          HG23      THR  11   4.777  -1.546  14.676
   86    H    ALA  12           H        ALA  12   1.440   2.341  14.384
   87    HA   ALA  12           HA       ALA  12   0.743   3.932  15.808
   88    HB1  ALA  12           HB1      ALA  12   0.795   1.747  17.939
   89    HB2  ALA  12           HB2      ALA  12  -0.033   3.305  18.039
   90    HB3  ALA  12           HB3      ALA  12  -0.555   2.125  16.835
   91    H    GLN  13           H        GLN  13   3.434   2.120  17.285
   92    HA   GLN  13           HA       GLN  13   4.668   4.489  18.483
   93    HB2  GLN  13           HB2      GLN  13   5.577   1.640  17.865
   94    HB3  GLN  13           HB3      GLN  13   6.592   2.875  18.646
   95    HG2  GLN  13           HG2      GLN  13   5.648   1.120  20.138
   96    HG3  GLN  13           HG3      GLN  13   5.567   2.825  20.641
   97   HE21  GLN  13          HE21      GLN  13   3.519   3.929  20.558
   98   HE22  GLN  13          HE22      GLN  13   2.049   2.966  20.378
   99    H    GLY  14           H        GLY  14   4.062   3.996  15.353
  100    HA2  GLY  14           HA2      GLY  14   4.908   5.083  13.449
  101    HA3  GLY  14           HA3      GLY  14   6.424   5.433  14.328
  102    H    VAL  15           H        VAL  15   7.282   4.797  12.209
  103    HA   VAL  15           HA       VAL  15   7.857   2.210  11.306
  104    HB   VAL  15           HB       VAL  15   9.709   4.538  11.936
  105   HG11  VAL  15          HG11      VAL  15  10.420   2.076  10.292
  106   HG12  VAL  15          HG12      VAL  15  11.405   3.535  10.466
  107   HG13  VAL  15          HG13      VAL  15  11.133   2.498  11.867
  108   HG21  VAL  15          HG21      VAL  15   8.003   4.919  10.168
  109   HG22  VAL  15          HG22      VAL  15   9.634   4.894   9.492
  110   HG23  VAL  15          HG23      VAL  15   8.573   3.480   9.303
  111    H    GLY  16           H        GLY  16   8.568   0.379  12.131
  112    HA2  GLY  16           HA2      GLY  16   9.420   0.274  15.020
  113    HA3  GLY  16           HA3      GLY  16   8.375  -0.903  14.189
  114    H    GLN  17           H        GLN  17   9.569  -1.784  12.050
  115    HA   GLN  17           HA       GLN  17  12.320  -2.520  12.217
  116    HB2  GLN  17           HB2      GLN  17  12.011  -4.875  12.964
  117    HB3  GLN  17           HB3      GLN  17  11.840  -3.700  14.256
  118    HG2  GLN  17           HG2      GLN  17   9.491  -3.986  14.407
  119    HG3  GLN  17           HG3      GLN  17   9.383  -4.739  12.800
  120   HE21  GLN  17          HE21      GLN  17  10.370  -6.944  12.534
  121   HE22  GLN  17          HE22      GLN  17  10.375  -7.978  13.970
  122    H    SER  18           H        SER  18  12.855  -4.252  10.543
  123    HA   SER  18           HA       SER  18  10.591  -5.161   8.912
  124    HB2  SER  18           HB2      SER  18  11.077  -2.936   7.986
  125    HB3  SER  18           HB3      SER  18  12.791  -3.350   7.823
  126    HG   SER  18           HG       SER  18  10.761  -3.862   6.088
  127    H    ILE  19           H        ILE  19  10.931  -6.974   7.649
  128    HA   ILE  19           HA       ILE  19  13.538  -7.983   7.004
  129    HB   ILE  19           HB       ILE  19  13.112  -9.073   8.883
  130   HG12  ILE  19          HG12      ILE  19  11.572 -10.991   7.210
  131   HG13  ILE  19          HG13      ILE  19  13.131 -10.355   6.647
  132   HG21  ILE  19          HG21      ILE  19  10.124  -9.284   8.272
  133   HG22  ILE  19          HG22      ILE  19  10.910 -10.177   9.593
  134   HG23  ILE  19          HG23      ILE  19  10.878  -8.419   9.635
  135   HD11  ILE  19          HD11      ILE  19  12.706 -11.684   9.341
  136   HD12  ILE  19          HD12      ILE  19  13.420 -12.490   7.916
  137   HD13  ILE  19          HD13      ILE  19  14.243 -11.096   8.657
  138    H    GLY  20           H        GLY  20  12.325  -6.397   5.419
  139    HA2  GLY  20           HA2      GLY  20  13.220  -7.746   3.456
  140    HA3  GLY  20           HA3      GLY  20  11.524  -8.132   3.134
  141    H    THR  21           H        THR  21  12.386  -6.986   0.999
  142    HA   THR  21           HA       THR  21  11.458  -4.140   1.103
  143    HB   THR  21           HB       THR  21  12.807  -3.579  -0.750
  144    HG1  THR  21           HG1      THR  21  13.469  -6.323  -0.946
  145   HG21  THR  21          HG21      THR  21  14.649  -5.357   0.892
  146   HG22  THR  21          HG22      THR  21  15.080  -3.948  -0.091
  147   HG23  THR  21          HG23      THR  21  14.124  -3.731   1.381
  148    H    VAL  22           H        VAL  22  10.465  -3.453  -1.152
  149    HA   VAL  22           HA       VAL  22   9.489  -5.881  -2.609
  150    HB   VAL  22           HB       VAL  22   7.846  -3.321  -2.353
  151   HG11  VAL  22          HG11      VAL  22   7.432  -5.961  -3.823
  152   HG12  VAL  22          HG12      VAL  22   6.162  -4.805  -3.575
  153   HG13  VAL  22          HG13      VAL  22   7.557  -4.347  -4.559
  154   HG21  VAL  22          HG21      VAL  22   7.660  -4.647  -0.283
  155   HG22  VAL  22          HG22      VAL  22   6.166  -4.780  -1.219
  156   HG23  VAL  22          HG23      VAL  22   7.334  -6.115  -1.230
  157    H    VAL  23           H        VAL  23  10.008  -5.865  -4.726
  158    HA   VAL  23           HA       VAL  23  11.465  -3.471  -5.709
  159    HB   VAL  23           HB       VAL  23  12.523  -5.626  -5.932
  160   HG11  VAL  23          HG11      VAL  23  10.513  -6.396  -7.988
  161   HG12  VAL  23          HG12      VAL  23  12.122  -7.118  -7.798
  162   HG13  VAL  23          HG13      VAL  23  11.003  -7.226  -6.461
  163   HG21  VAL  23          HG21      VAL  23  13.097  -3.616  -7.326
  164   HG22  VAL  23          HG22      VAL  23  13.461  -5.139  -8.151
  165   HG23  VAL  23          HG23      VAL  23  12.006  -4.221  -8.590
  166    H    ILE  24           H        ILE  24  10.519  -1.961  -6.816
  167    HA   ILE  24           HA       ILE  24   7.934  -2.538  -8.212
  168    HB   ILE  24           HB       ILE  24   9.160   0.148  -7.526
  169   HG12  ILE  24          HG12      ILE  24   6.819  -0.683  -5.901
  170   HG13  ILE  24          HG13      ILE  24   8.173  -1.533  -5.449
  171   HG21  ILE  24          HG21      ILE  24   6.345  -0.728  -8.381
  172   HG22  ILE  24          HG22      ILE  24   6.812   0.937  -7.936
  173   HG23  ILE  24          HG23      ILE  24   7.525   0.172  -9.355
  174   HD11  ILE  24          HD11      ILE  24   7.799   1.480  -5.623
  175   HD12  ILE  24          HD12      ILE  24   7.833   0.446  -4.185
  176   HD13  ILE  24          HD13      ILE  24   9.335   0.700  -5.120
  177    H    ASP  25           H        ASP  25   8.159  -2.907 -10.304
  178    HA   ASP  25           HA       ASP  25  10.420  -1.684 -11.840
  179    HB2  ASP  25           HB2      ASP  25  10.633  -4.051 -11.356
  180    HB3  ASP  25           HB3      ASP  25   9.065  -4.400 -12.123
  181    H    GLU  26           H        GLU  26   9.851  -0.482 -13.537
  182    HA   GLU  26           HA       GLU  26   6.928  -0.011 -13.981
  183    HB2  GLU  26           HB2      GLU  26   7.732   1.933 -15.394
  184    HB3  GLU  26           HB3      GLU  26   7.990   2.055 -13.637
  185    HG2  GLU  26           HG2      GLU  26  10.290   1.523 -13.873
  186    HG3  GLU  26           HG3      GLU  26  10.139   1.151 -15.586
  187    H    THR  27           H        THR  27   5.845  -0.764 -15.797
  188    HA   THR  27           HA       THR  27   7.479  -1.265 -18.178
  189    HB   THR  27           HB       THR  27   7.864  -3.295 -17.042
  190    HG1  THR  27           HG1      THR  27   7.265  -4.621 -18.596
  191   HG21  THR  27          HG21      THR  27   4.864  -3.633 -16.672
  192   HG22  THR  27          HG22      THR  27   6.068  -4.927 -16.437
  193   HG23  THR  27          HG23      THR  27   6.110  -3.505 -15.411
  194    H    GLU  28           H        GLU  28   5.764  -2.420 -19.861
  195    HA   GLU  28           HA       GLU  28   3.785  -0.282 -20.208
  196    HB2  GLU  28           HB2      GLU  28   3.340  -1.210 -22.381
  197    HB3  GLU  28           HB3      GLU  28   5.062  -0.894 -22.090
  198    HG2  GLU  28           HG2      GLU  28   5.366  -3.376 -21.664
  199    HG3  GLU  28           HG3      GLU  28   3.693  -3.609 -22.205
  200    H    GLY  29           H        GLY  29   3.649  -3.152 -18.531
  201    HA2  GLY  29           HA2      GLY  29   0.677  -2.981 -18.472
  202    HA3  GLY  29           HA3      GLY  29   1.625  -4.301 -17.708
  203    H    GLY  30           H        GLY  30   2.935  -1.249 -17.375
  204    HA2  GLY  30           HA2      GLY  30   2.975   0.431 -15.822
  205    HA3  GLY  30           HA3      GLY  30   1.623  -0.271 -14.964
  206    H    LEU  31           H        LEU  31   2.310  -0.081 -12.954
  207    HA   LEU  31           HA       LEU  31   5.080  -0.734 -12.203
  208    HB2  LEU  31           HB2      LEU  31   2.675   0.013 -10.489
  209    HB3  LEU  31           HB3      LEU  31   4.347  -0.152  -9.910
  210    HG   LEU  31           HG       LEU  31   3.278   1.933 -11.866
  211   HD11  LEU  31          HD11      LEU  31   4.423   2.207  -9.053
  212   HD12  LEU  31          HD12      LEU  31   3.784   3.513 -10.075
  213   HD13  LEU  31          HD13      LEU  31   2.694   2.255  -9.467
  214   HD21  LEU  31          HD21      LEU  31   5.560   1.433 -12.564
  215   HD22  LEU  31          HD22      LEU  31   5.551   2.971 -11.697
  216   HD23  LEU  31          HD23      LEU  31   6.132   1.508 -10.880
  217    H    LYS  32           H        LYS  32   5.648  -2.807 -12.327
  218    HA   LYS  32           HA       LYS  32   4.048  -4.997 -11.287
  219    HB2  LYS  32           HB2      LYS  32   5.404  -5.034 -13.397
  220    HB3  LYS  32           HB3      LYS  32   6.856  -4.703 -12.443
  221    HG2  LYS  32           HG2      LYS  32   6.252  -6.825 -11.107
  222    HG3  LYS  32           HG3      LYS  32   5.099  -7.157 -12.410
  223    HD2  LYS  32           HD2      LYS  32   6.947  -7.162 -14.066
  224    HD3  LYS  32           HD3      LYS  32   8.088  -6.783 -12.742
  225    HE2  LYS  32           HE2      LYS  32   8.203  -9.096 -12.691
  226    HE3  LYS  32           HE3      LYS  32   6.911  -8.703 -11.503
  227    HZ1  LYS  32           HZ1      LYS  32   6.632  -9.669 -14.302
  228    HZ2  LYS  32           HZ2      LYS  32   6.143 -10.510 -12.988
  229    HZ3  LYS  32           HZ3      LYS  32   5.330  -9.150 -13.452
  230    H    PHE  33           H        PHE  33   3.989  -5.292  -9.128
  231    HA   PHE  33           HA       PHE  33   6.177  -4.383  -7.375
  232    HB2  PHE  33           HB2      PHE  33   3.580  -3.810  -7.363
  233    HB3  PHE  33           HB3      PHE  33   3.399  -5.400  -6.636
  234    HD1  PHE  33           HD1      PHE  33   5.494  -2.365  -6.231
  235    HD2  PHE  33           HD2      PHE  33   2.984  -5.285  -4.374
  236    HE1  PHE  33           HE1      PHE  33   5.793  -1.210  -3.997
  237    HE2  PHE  33           HE2      PHE  33   3.209  -4.110  -2.182
  238    HZ   PHE  33           HZ       PHE  33   4.692  -2.130  -1.985
  239    H    THR  34           H        THR  34   7.764  -6.041  -7.023
  240    HA   THR  34           HA       THR  34   6.657  -8.814  -6.719
  241    HB   THR  34           HB       THR  34   9.488  -8.218  -7.492
  242    HG1  THR  34           HG1      THR  34   8.189  -7.498  -9.120
  243   HG21  THR  34          HG21      THR  34   7.724 -10.703  -7.584
  244   HG22  THR  34          HG22      THR  34   9.374 -10.578  -8.230
  245   HG23  THR  34          HG23      THR  34   9.093 -10.424  -6.487
  246    HA   PRO  35           HA       PRO  35   8.102  -7.807  -2.542
  247    HB2  PRO  35           HB2      PRO  35   6.579  -9.606  -1.163
  248    HB3  PRO  35           HB3      PRO  35   5.863  -8.127  -1.903
  249    HG2  PRO  35           HG2      PRO  35   5.990 -10.934  -3.040
  250    HG3  PRO  35           HG3      PRO  35   4.543  -9.881  -2.913
  251    HD2  PRO  35           HD2      PRO  35   5.998 -10.136  -5.184
  252    HD3  PRO  35           HD3      PRO  35   5.284  -8.559  -4.705
  253    H    HIS  36           H        HIS  36   9.427  -8.838  -0.964
  254    HA   HIS  36           HA       HIS  36   9.899 -11.740  -1.247
  255    HB2  HIS  36           HB2      HIS  36  12.175 -11.696  -1.730
  256    HB3  HIS  36           HB3      HIS  36  11.539 -10.407  -2.741
  257    HD1  HIS  36           HD1      HIS  36  14.318 -10.953  -0.407
  258    HD2  HIS  36           HD2      HIS  36  11.748  -7.820  -1.464
  259    HE1  HIS  36           HE1      HIS  36  15.431  -8.836   0.484
  260    H    LEU  37           H        LEU  37   8.549 -10.117   0.750
  261    HA   LEU  37           HA       LEU  37  10.326 -10.057   3.119
  262    HB2  LEU  37           HB2      LEU  37   7.352  -9.423   3.053
  263    HB3  LEU  37           HB3      LEU  37   8.552  -9.029   4.296
  264    HG   LEU  37           HG       LEU  37   9.609  -7.733   2.089
  265   HD11  LEU  37          HD11      LEU  37   6.569  -7.524   1.911
  266   HD12  LEU  37          HD12      LEU  37   7.730  -6.492   1.067
  267   HD13  LEU  37          HD13      LEU  37   7.648  -8.223   0.680
  268   HD21  LEU  37          HD21      LEU  37   9.336  -6.808   4.364
  269   HD22  LEU  37          HD22      LEU  37   8.792  -5.667   3.118
  270   HD23  LEU  37          HD23      LEU  37   7.598  -6.588   4.067
  271    H    LYS  38           H        LYS  38  10.123 -11.370   4.909
  272    HA   LYS  38           HA       LYS  38   8.463 -13.843   4.529
  273    HB2  LYS  38           HB2      LYS  38  10.284 -15.239   5.209
  274    HB3  LYS  38           HB3      LYS  38  10.740 -14.298   3.814
  275    HG2  LYS  38           HG2      LYS  38  11.500 -12.900   6.275
  276    HG3  LYS  38           HG3      LYS  38  12.061 -14.576   6.341
  277    HD2  LYS  38           HD2      LYS  38  13.801 -13.124   5.386
  278    HD3  LYS  38           HD3      LYS  38  13.219 -14.298   4.195
  279    HE2  LYS  38           HE2      LYS  38  11.616 -12.497   3.364
  280    HE3  LYS  38           HE3      LYS  38  12.471 -11.333   4.394
  281    HZ1  LYS  38           HZ1      LYS  38  13.808 -13.003   2.348
  282    HZ2  LYS  38           HZ2      LYS  38  13.142 -11.551   1.996
  283    HZ3  LYS  38           HZ3      LYS  38  14.415 -11.647   3.060
  284    H    ALA  39           H        ALA  39   7.871 -11.576   6.257
  285    HA   ALA  39           HA       ALA  39   6.918 -13.284   8.416
  286    HB1  ALA  39           HB1      ALA  39   8.522 -10.797   9.135
  287    HB2  ALA  39           HB2      ALA  39   7.645 -11.849  10.260
  288    HB3  ALA  39           HB3      ALA  39   9.051 -12.482   9.386
  289    H    LEU  40           H        LEU  40   5.023 -12.909   7.116
  290    HA   LEU  40           HA       LEU  40   3.507 -10.705   8.308
  291    HB2  LEU  40           HB2      LEU  40   2.536 -11.139   5.539
  292    HB3  LEU  40           HB3      LEU  40   2.678  -9.739   6.524
  293    HG   LEU  40           HG       LEU  40   5.262  -9.797   5.835
  294   HD11  LEU  40          HD11      LEU  40   4.054 -11.652   3.763
  295   HD12  LEU  40          HD12      LEU  40   5.648 -10.876   3.650
  296   HD13  LEU  40          HD13      LEU  40   5.331 -12.058   4.910
  297   HD21  LEU  40          HD21      LEU  40   3.607  -8.136   5.006
  298   HD22  LEU  40          HD22      LEU  40   4.731  -8.626   3.726
  299   HD23  LEU  40          HD23      LEU  40   3.082  -9.295   3.759
  300    HA   PRO  41           HA       PRO  41   0.563 -13.871   8.661
  301    HB2  PRO  41           HB2      PRO  41  -1.923 -12.671   8.157
  302    HB3  PRO  41           HB3      PRO  41  -1.021 -12.571   9.697
  303    HG2  PRO  41           HG2      PRO  41  -1.010 -10.643   7.407
  304    HG3  PRO  41           HG3      PRO  41  -1.213 -10.284   9.156
  305    HD2  PRO  41           HD2      PRO  41   1.206  -9.989   8.061
  306    HD3  PRO  41           HD3      PRO  41   1.002 -10.881   9.611
  307    HA   PRO  42           HA       PRO  42   0.810 -15.227   4.524
  308    HB2  PRO  42           HB2      PRO  42   0.391 -17.868   4.754
  309    HB3  PRO  42           HB3      PRO  42   1.557 -17.051   5.826
  310    HG2  PRO  42           HG2      PRO  42  -1.366 -17.543   6.471
  311    HG3  PRO  42           HG3      PRO  42   0.055 -18.143   7.385
  312    HD2  PRO  42           HD2      PRO  42  -1.130 -15.755   8.032
  313    HD3  PRO  42           HD3      PRO  42   0.655 -15.964   8.100
  314    H    GLY  43           H        GLY  43  -1.784 -14.032   5.231
  315    HA2  GLY  43           HA2      GLY  43  -3.875 -15.412   3.661
  316    HA3  GLY  43           HA3      GLY  43  -4.037 -13.914   4.591
  317    H    GLU  44           H        GLU  44  -4.618 -12.456   3.353
  318    HA   GLU  44           HA       GLU  44  -3.154 -11.722   0.890
  319    HB2  GLU  44           HB2      GLU  44  -5.105 -11.810  -0.489
  320    HB3  GLU  44           HB3      GLU  44  -4.976 -13.362   0.339
  321    HG2  GLU  44           HG2      GLU  44  -6.573 -12.092   2.128
  322    HG3  GLU  44           HG3      GLU  44  -6.913 -11.124   0.674
  323    H    HIS  45           H        HIS  45  -3.068  -9.596   0.487
  324    HA   HIS  45           HA       HIS  45  -4.356  -7.765   2.488
  325    HB2  HIS  45           HB2      HIS  45  -1.486  -8.221   1.593
  326    HB3  HIS  45           HB3      HIS  45  -1.961  -6.760   2.454
  327    HD1  HIS  45           HD1      HIS  45  -3.593  -7.723   4.856
  328    HD2  HIS  45           HD2      HIS  45  -0.997 -10.284   2.877
  329    HE1  HIS  45           HE1      HIS  45  -3.405  -9.825   6.340
  330    HE2  HIS  45           HE2      HIS  45  -1.684 -11.361   5.176
  331    H    GLY  46           H        GLY  46  -4.946  -5.715   1.890
  332    HA2  GLY  46           HA2      GLY  46  -5.024  -4.975  -0.857
  333    HA3  GLY  46           HA3      GLY  46  -5.271  -3.861   0.513
  334    H    PHE  47           H        PHE  47  -3.775  -3.328  -2.020
  335    HA   PHE  47           HA       PHE  47  -1.221  -2.400  -0.768
  336    HB2  PHE  47           HB2      PHE  47  -0.625  -4.256  -2.111
  337    HB3  PHE  47           HB3      PHE  47  -1.758  -3.785  -3.385
  338    HD1  PHE  47           HD1      PHE  47   0.891  -1.532  -1.854
  339    HD2  PHE  47           HD2      PHE  47  -0.299  -4.021  -5.156
  340    HE1  PHE  47           HE1      PHE  47   2.714  -0.527  -3.309
  341    HE2  PHE  47           HE2      PHE  47   1.411  -2.927  -6.609
  342    HZ   PHE  47           HZ       PHE  47   2.821  -1.121  -5.710
  343    H    HIS  48           H        HIS  48  -1.609  -0.236  -0.476
  344    HA   HIS  48           HA       HIS  48  -2.471   1.209  -2.987
  345    HB2  HIS  48           HB2      HIS  48  -2.429   2.357  -0.167
  346    HB3  HIS  48           HB3      HIS  48  -3.105   3.137  -1.588
  347    HD2  HIS  48           HD2      HIS  48  -4.844   0.343  -2.436
  348    HE1  HIS  48           HE1      HIS  48  -6.705   0.972   1.319
  349    HE2  HIS  48           HE2      HIS  48  -6.801  -0.297  -0.857
  350    H    ILE  49           H        ILE  49  -1.771   3.313  -3.380
  351    HA   ILE  49           HA       ILE  49   0.839   4.276  -2.294
  352    HB   ILE  49           HB       ILE  49  -0.412   4.657  -5.038
  353   HG12  ILE  49          HG12      ILE  49   2.481   4.048  -4.328
  354   HG13  ILE  49          HG13      ILE  49   1.259   2.764  -4.465
  355   HG21  ILE  49          HG21      ILE  49   1.813   6.357  -3.817
  356   HG22  ILE  49          HG22      ILE  49   1.331   6.379  -5.523
  357   HG23  ILE  49          HG23      ILE  49   0.196   6.924  -4.305
  358   HD11  ILE  49          HD11      ILE  49   2.019   4.651  -6.729
  359   HD12  ILE  49          HD12      ILE  49   2.526   2.965  -6.538
  360   HD13  ILE  49          HD13      ILE  49   0.813   3.345  -6.782
  361    H    HIS  50           H        HIS  50   0.789   6.457  -1.636
  362    HA   HIS  50           HA       HIS  50  -1.876   7.746  -1.386
  363    HB2  HIS  50           HB2      HIS  50   0.103   7.239   0.854
  364    HB3  HIS  50           HB3      HIS  50  -1.080   8.533   0.900
  365    HD1  HIS  50           HD1      HIS  50  -2.792   7.923   2.573
  366    HD2  HIS  50           HD2      HIS  50  -1.659   4.704   0.155
  367    HE1  HIS  50           HE1      HIS  50  -4.133   5.898   3.429
  368    H    ALA  51           H        ALA  51  -1.603  10.150  -0.813
  369    HA   ALA  51           HA       ALA  51  -0.303  11.112  -3.115
  370    HB1  ALA  51           HB1      ALA  51  -1.434  12.764  -0.823
  371    HB2  ALA  51           HB2      ALA  51  -1.235  13.266  -2.505
  372    HB3  ALA  51           HB3      ALA  51  -2.421  12.007  -2.102
  373    H    ASN  52           H        ASN  52   0.839  11.359   0.215
  374    HA   ASN  52           HA       ASN  52   3.471  12.299  -0.880
  375    HB2  ASN  52           HB2      ASN  52   2.169  13.200   1.713
  376    HB3  ASN  52           HB3      ASN  52   3.813  13.599   1.206
  377   HD21  ASN  52          HD21      ASN  52   0.570  14.662   1.061
  378   HD22  ASN  52          HD22      ASN  52   0.724  15.705  -0.344
  379    H    GLY  53           H        GLY  53   5.335  11.859   0.664
  380    HA2  GLY  53           HA2      GLY  53   5.266   9.002   1.464
  381    HA3  GLY  53           HA3      GLY  53   6.695  10.012   1.181
  382    H    SER  54           H        SER  54   4.300   8.997   3.545
  383    HA   SER  54           HA       SER  54   5.889  10.259   5.727
  384    HB2  SER  54           HB2      SER  54   2.934  10.741   5.557
  385    HB3  SER  54           HB3      SER  54   4.135  11.596   6.510
  386    HG   SER  54           HG       SER  54   3.261  12.731   4.630
  387    H    CYS  55           H        CYS  55   5.948   7.522   5.681
  388    HA   CYS  55           HA       CYS  55   3.930   6.133   6.988
  389    HB2  CYS  55           HB2      CYS  55   6.915   5.592   7.056
  390    HB3  CYS  55           HB3      CYS  55   5.644   4.447   7.359
  391    H    GLN  56           H        GLN  56   4.098   8.442   8.678
  392    HA   GLN  56           HA       GLN  56   4.840   7.204  11.264
  393    HB2  GLN  56           HB2      GLN  56   5.720   9.982  10.405
  394    HB3  GLN  56           HB3      GLN  56   5.871   9.350  12.039
  395    HG2  GLN  56           HG2      GLN  56   7.278   8.115   9.619
  396    HG3  GLN  56           HG3      GLN  56   7.963   9.348  10.652
  397   HE21  GLN  56          HE21      GLN  56   9.724   8.027  11.336
  398   HE22  GLN  56          HE22      GLN  56   9.444   6.695  12.448
  399    HA   PRO  57           HA       PRO  57   0.885   8.744  12.111
  400    HB2  PRO  57           HB2      PRO  57   0.600   8.229  14.773
  401    HB3  PRO  57           HB3      PRO  57   0.862   6.921  13.583
  402    HG2  PRO  57           HG2      PRO  57   2.939   8.285  15.319
  403    HG3  PRO  57           HG3      PRO  57   2.674   6.527  15.076
  404    HD2  PRO  57           HD2      PRO  57   4.559   7.872  13.651
  405    HD3  PRO  57           HD3      PRO  57   3.563   6.573  12.916
  406    H    ALA  58           H        ALA  58  -0.371  10.423  12.785
  407    HA   ALA  58           HA       ALA  58   0.743  12.670  14.325
  408    HB1  ALA  58           HB1      ALA  58  -2.094  12.057  13.354
  409    HB2  ALA  58           HB2      ALA  58  -1.554  13.573  14.093
  410    HB3  ALA  58           HB3      ALA  58  -0.911  13.082  12.514
  411    H    ILE  59           H        ILE  59   0.398  12.978  16.515
  412    HA   ILE  59           HA       ILE  59  -0.850  10.736  18.064
  413    HB   ILE  59           HB       ILE  59   0.962  12.953  19.081
  414   HG12  ILE  59          HG12      ILE  59   2.342  11.659  17.609
  415   HG13  ILE  59          HG13      ILE  59   2.748  11.269  19.268
  416   HG21  ILE  59          HG21      ILE  59  -0.055  10.372  20.357
  417   HG22  ILE  59          HG22      ILE  59   1.155  11.462  21.073
  418   HG23  ILE  59          HG23      ILE  59  -0.496  12.028  20.808
  419   HD11  ILE  59          HD11      ILE  59   1.093   9.530  17.382
  420   HD12  ILE  59          HD12      ILE  59   2.767   9.261  17.883
  421   HD13  ILE  59          HD13      ILE  59   1.468   9.132  19.078
  422    H    LYS  60           H        LYS  60  -2.955  11.090  18.298
  423    HA   LYS  60           HA       LYS  60  -3.992  13.825  18.854
  424    HB2  LYS  60           HB2      LYS  60  -3.613  13.507  16.420
  425    HB3  LYS  60           HB3      LYS  60  -4.695  12.114  16.422
  426    HG2  LYS  60           HG2      LYS  60  -6.605  13.483  16.883
  427    HG3  LYS  60           HG3      LYS  60  -5.595  14.876  17.328
  428    HD2  LYS  60           HD2      LYS  60  -4.748  15.005  15.001
  429    HD3  LYS  60           HD3      LYS  60  -5.806  13.685  14.512
  430    HE2  LYS  60           HE2      LYS  60  -7.008  16.092  15.916
  431    HE3  LYS  60           HE3      LYS  60  -6.449  16.288  14.246
  432    HZ1  LYS  60           HZ1      LYS  60  -8.409  14.231  15.066
  433    HZ2  LYS  60           HZ2      LYS  60  -8.781  15.674  14.352
  434    HZ3  LYS  60           HZ3      LYS  60  -7.889  14.573  13.528
  435    H    ASP  61           H        ASP  61  -5.841  13.861  20.034
  436    HA   ASP  61           HA       ASP  61  -7.394  13.163  21.539
  437    HB2  ASP  61           HB2      ASP  61  -8.637  12.870  19.531
  438    HB3  ASP  61           HB3      ASP  61  -7.982  11.283  19.230
  439    H    GLY  62           H        GLY  62  -4.661  11.871  21.663
  440    HA2  GLY  62           HA2      GLY  62  -3.673  10.696  23.413
  441    HA3  GLY  62           HA3      GLY  62  -5.246  10.032  23.881
  442    H    GLN  63           H        GLN  63  -4.496   9.565  20.533
  443    HA   GLN  63           HA       GLN  63  -2.904   7.136  21.006
  444    HB2  GLN  63           HB2      GLN  63  -4.235   5.703  19.616
  445    HB3  GLN  63           HB3      GLN  63  -5.207   6.271  20.954
  446    HG2  GLN  63           HG2      GLN  63  -5.405   7.823  18.363
  447    HG3  GLN  63           HG3      GLN  63  -6.067   6.194  18.395
  448   HE21  GLN  63          HE21      GLN  63  -6.665   9.497  19.389
  449   HE22  GLN  63          HE22      GLN  63  -8.172   9.118  20.223
  450    H    ALA  64           H        ALA  64  -2.483   6.161  18.549
  451    HA   ALA  64           HA       ALA  64  -1.189   8.464  17.164
  452    HB1  ALA  64           HB1      ALA  64   0.311   6.986  18.446
  453    HB2  ALA  64           HB2      ALA  64  -0.269   5.591  17.515
  454    HB3  ALA  64           HB3      ALA  64   0.625   6.893  16.711
  455    H    VAL  65           H        VAL  65  -2.012   8.906  15.249
  456    HA   VAL  65           HA       VAL  65  -3.665   6.954  13.810
  457    HB   VAL  65           HB       VAL  65  -3.114   9.828  12.998
  458   HG11  VAL  65          HG11      VAL  65  -5.441   7.903  12.440
  459   HG12  VAL  65          HG12      VAL  65  -5.306   9.566  11.833
  460   HG13  VAL  65          HG13      VAL  65  -4.179   8.324  11.270
  461   HG21  VAL  65          HG21      VAL  65  -4.007   9.904  15.280
  462   HG22  VAL  65          HG22      VAL  65  -5.268  10.381  14.143
  463   HG23  VAL  65          HG23      VAL  65  -5.289   8.750  14.850
  464    H    ALA  66           H        ALA  66  -1.991   5.543  13.337
  465    HA   ALA  66           HA       ALA  66  -0.098   4.700  12.259
  466    HB1  ALA  66           HB1      ALA  66  -2.362   4.994  10.248
  467    HB2  ALA  66           HB2      ALA  66  -1.006   3.850  10.101
  468    HB3  ALA  66           HB3      ALA  66  -2.144   3.715  11.452
  469    H    ALA  67           H        ALA  67  -1.238   6.724   9.586
  470    HA   ALA  67           HA       ALA  67   1.406   7.947   9.148
  471    HB1  ALA  67           HB1      ALA  67   0.139   6.020   7.145
  472    HB2  ALA  67           HB2      ALA  67   1.589   7.005   6.873
  473    HB3  ALA  67           HB3      ALA  67   1.620   5.728   8.094
  474    H    GLU  68           H        GLU  68  -0.971   9.177   9.945
  475    HA   GLU  68           HA       GLU  68  -2.849   9.837   8.019
  476    HB2  GLU  68           HB2      GLU  68  -3.046  10.227  10.442
  477    HB3  GLU  68           HB3      GLU  68  -1.933  11.596  10.336
  478    HG2  GLU  68           HG2      GLU  68  -3.500  12.848   8.969
  479    HG3  GLU  68           HG3      GLU  68  -4.519  11.423   8.738
  480    H    ALA  69           H        ALA  69   0.247  11.521   8.529
  481    HA   ALA  69           HA       ALA  69  -0.311  13.742   6.791
  482    HB1  ALA  69           HB1      ALA  69   2.317  12.555   7.807
  483    HB2  ALA  69           HB2      ALA  69   2.121  14.163   7.075
  484    HB3  ALA  69           HB3      ALA  69   1.341  13.799   8.622
  485    H    ALA  70           H        ALA  70   0.089  10.512   5.858
  486    HA   ALA  70           HA       ALA  70   1.746  10.977   3.493
  487    HB1  ALA  70           HB1      ALA  70   0.052   8.563   4.249
  488    HB2  ALA  70           HB2      ALA  70   1.385   8.637   3.072
  489    HB3  ALA  70           HB3      ALA  70   1.719   8.837   4.802
  490    H    GLY  71           H        GLY  71  -1.542  11.697   4.065
  491    HA2  GLY  71           HA2      GLY  71  -2.794  12.816   2.331
  492    HA3  GLY  71           HA3      GLY  71  -1.954  11.902   1.112
  493    H    GLY  72           H        GLY  72  -4.481  11.968   0.614
  494    HA2  GLY  72           HA2      GLY  72  -5.824   9.460   1.428
  495    HA3  GLY  72           HA3      GLY  72  -6.293  10.552   0.107
  496    H    HIS  73           H        HIS  73  -6.424   7.978  -0.599
  497    HA   HIS  73           HA       HIS  73  -3.870   6.858  -1.348
  498    HB2  HIS  73           HB2      HIS  73  -6.365   5.736  -2.492
  499    HB3  HIS  73           HB3      HIS  73  -4.902   4.927  -2.022
  500    HD2  HIS  73           HD2      HIS  73  -5.599   6.473   1.154
  501    HE1  HIS  73           HE1      HIS  73  -8.557   3.427   1.101
  502    HE2  HIS  73           HE2      HIS  73  -7.309   5.143   2.545
  503    H    LEU  74           H        LEU  74  -4.124   9.324  -2.603
  504    HA   LEU  74           HA       LEU  74  -3.791  10.462  -4.511
  505    HB2  LEU  74           HB2      LEU  74  -1.991   8.786  -4.526
  506    HB3  LEU  74           HB3      LEU  74  -2.946   7.724  -5.536
  507    HG   LEU  74           HG       LEU  74  -2.870   9.383  -7.378
  508   HD11  LEU  74          HD11      LEU  74  -1.151  11.017  -5.451
  509   HD12  LEU  74          HD12      LEU  74  -1.288  11.321  -7.197
  510   HD13  LEU  74          HD13      LEU  74  -2.706  11.503  -6.164
  511   HD21  LEU  74          HD21      LEU  74  -1.130   7.631  -7.163
  512   HD22  LEU  74          HD22      LEU  74  -0.451   9.112  -7.859
  513   HD23  LEU  74          HD23      LEU  74  -0.151   8.711  -6.155
  514    H    ASP  75           H        ASP  75  -6.011  10.980  -4.544
  515    HA   ASP  75           HA       ASP  75  -6.944  10.808  -7.280
  516    HB2  ASP  75           HB2      ASP  75  -8.243   8.991  -6.334
  517    HB3  ASP  75           HB3      ASP  75  -8.851  10.025  -5.046
  518    HA   PRO  76           HA       PRO  76  -8.166  14.917  -5.685
  519    HB2  PRO  76           HB2      PRO  76  -7.868  16.369  -7.920
  520    HB3  PRO  76           HB3      PRO  76  -6.449  15.676  -7.077
  521    HG2  PRO  76           HG2      PRO  76  -7.874  14.553  -9.514
  522    HG3  PRO  76           HG3      PRO  76  -6.117  14.819  -9.279
  523    HD2  PRO  76           HD2      PRO  76  -7.392  12.405  -8.803
  524    HD3  PRO  76           HD3      PRO  76  -5.917  12.924  -7.936
  525    H    GLN  77           H        GLN  77  -9.747  12.952  -8.224
  526    HA   GLN  77           HA       GLN  77 -12.075  14.857  -8.304
  527    HB2  GLN  77           HB2      GLN  77 -10.250  14.063 -10.606
  528    HB3  GLN  77           HB3      GLN  77 -11.888  14.667 -10.844
  529    HG2  GLN  77           HG2      GLN  77 -11.330  16.784  -9.708
  530    HG3  GLN  77           HG3      GLN  77  -9.684  16.215  -9.435
  531   HE21  GLN  77          HE21      GLN  77  -8.459  17.598 -10.760
  532   HE22  GLN  77          HE22      GLN  77  -8.737  17.727 -12.495
  533    H    ASN  78           H        ASN  78 -10.984  11.484  -8.969
  534    HA   ASN  78           HA       ASN  78 -13.156  10.843 -10.691
  535    HB2  ASN  78           HB2      ASN  78 -11.552   9.013  -8.863
  536    HB3  ASN  78           HB3      ASN  78 -12.683   8.462 -10.083
  537   HD21  ASN  78          HD21      ASN  78  -9.624  10.379  -9.711
  538   HD22  ASN  78          HD22      ASN  78  -9.034   9.903 -11.304
  539    H    THR  79           H        THR  79 -12.863  10.576  -7.194
  540    HA   THR  79           HA       THR  79 -15.511  11.162  -6.462
  541    HB   THR  79           HB       THR  79 -16.241   9.077  -7.487
  542    HG1  THR  79           HG1      THR  79 -17.410   8.425  -5.850
  543   HG21  THR  79          HG21      THR  79 -14.312   7.701  -5.591
  544   HG22  THR  79          HG22      THR  79 -15.619   6.894  -6.482
  545   HG23  THR  79          HG23      THR  79 -14.313   7.677  -7.371
  546    H    GLY  80           H        GLY  80 -12.356   9.925  -5.660
  547    HA2  GLY  80           HA2      GLY  80 -11.122  10.252  -3.768
  548    HA3  GLY  80           HA3      GLY  80 -12.483  11.134  -3.040
  549    H    LYS  81           H        LYS  81 -14.137   8.556  -3.611
  550    HA   LYS  81           HA       LYS  81 -14.110   7.413  -1.047
  551    HB2  LYS  81           HB2      LYS  81 -15.280   6.573  -3.713
  552    HB3  LYS  81           HB3      LYS  81 -15.396   5.515  -2.308
  553    HG2  LYS  81           HG2      LYS  81 -16.556   7.204  -1.014
  554    HG3  LYS  81           HG3      LYS  81 -16.447   8.374  -2.345
  555    HD2  LYS  81           HD2      LYS  81 -18.038   7.258  -3.646
  556    HD3  LYS  81           HD3      LYS  81 -17.640   5.682  -2.971
  557    HE2  LYS  81           HE2      LYS  81 -19.813   6.164  -2.219
  558    HE3  LYS  81           HE3      LYS  81 -18.744   6.303  -0.824
  559    HZ1  LYS  81           HZ1      LYS  81 -19.789   8.584  -2.408
  560    HZ2  LYS  81           HZ2      LYS  81 -20.383   8.067  -0.964
  561    HZ3  LYS  81           HZ3      LYS  81 -18.885   8.718  -1.031
  562    H    HIS  82           H        HIS  82 -13.413   5.274  -3.769
  563    HA   HIS  82           HA       HIS  82 -10.975   4.221  -3.580
  564    HB2  HIS  82           HB2      HIS  82 -11.051   3.875  -1.146
  565    HB3  HIS  82           HB3      HIS  82 -12.588   3.021  -1.292
  566    HD2  HIS  82           HD2      HIS  82 -12.437   0.447  -1.679
  567    HE1  HIS  82           HE1      HIS  82  -8.259   0.013  -2.215
  568    HE2  HIS  82           HE2      HIS  82 -10.449  -1.191  -1.789
  569    H    GLU  83           H        GLU  83 -10.906   2.857  -5.249
  570    HA   GLU  83           HA       GLU  83 -13.362   1.574  -6.181
  571    HB2  GLU  83           HB2      GLU  83 -12.350   1.332  -8.240
  572    HB3  GLU  83           HB3      GLU  83 -11.951   2.911  -7.666
  573    HG2  GLU  83           HG2      GLU  83  -9.794   2.616  -8.047
  574    HG3  GLU  83           HG3      GLU  83  -9.723   1.274  -6.916
  575    H    GLY  84           H        GLY  84 -11.162  -0.450  -7.423
  576    HA2  GLY  84           HA2      GLY  84 -10.096  -2.394  -6.264
  577    HA3  GLY  84           HA3      GLY  84 -11.629  -2.560  -5.377
  578    HA   PRO  85           HA       PRO  85 -13.039  -4.609  -9.100
  579    HB2  PRO  85           HB2      PRO  85 -15.698  -4.328  -9.128
  580    HB3  PRO  85           HB3      PRO  85 -14.867  -4.886  -7.647
  581    HG2  PRO  85           HG2      PRO  85 -15.826  -2.073  -8.284
  582    HG3  PRO  85           HG3      PRO  85 -16.080  -3.020  -6.785
  583    HD2  PRO  85           HD2      PRO  85 -14.022  -1.179  -7.172
  584    HD3  PRO  85           HD3      PRO  85 -13.944  -2.539  -6.017
  585    H    GLU  86           H        GLU  86 -13.527  -1.108  -9.480
  586    HA   GLU  86           HA       GLU  86 -14.027  -1.339 -12.368
  587    HB2  GLU  86           HB2      GLU  86 -16.231  -0.340 -10.511
  588    HB3  GLU  86           HB3      GLU  86 -16.235  -0.224 -12.273
  589    HG2  GLU  86           HG2      GLU  86 -16.051  -2.756 -12.342
  590    HG3  GLU  86           HG3      GLU  86 -16.492  -2.730 -10.622
  591    H    GLY  87           H        GLY  87 -12.020   0.159 -10.655
  592    HA2  GLY  87           HA2      GLY  87 -10.788   2.018 -11.173
  593    HA3  GLY  87           HA3      GLY  87 -11.938   2.345 -12.478
  594    H    GLN  88           H        GLN  88 -14.008   2.487 -10.125
  595    HA   GLN  88           HA       GLN  88 -14.084   5.323 -10.188
  596    HB2  GLN  88           HB2      GLN  88 -15.915   3.194  -9.787
  597    HB3  GLN  88           HB3      GLN  88 -16.046   4.156  -8.334
  598    HG2  GLN  88           HG2      GLN  88 -16.378   5.144 -11.192
  599    HG3  GLN  88           HG3      GLN  88 -17.658   4.851 -10.026
  600   HE21  GLN  88          HE21      GLN  88 -15.131   7.143 -11.003
  601   HE22  GLN  88          HE22      GLN  88 -15.653   8.392  -9.871
  602    H    GLY  89           H        GLY  89 -12.132   5.950  -9.167
  603    HA2  GLY  89           HA2      GLY  89 -11.697   7.511  -7.325
  604    HA3  GLY  89           HA3      GLY  89 -12.492   6.388  -6.215
  605    H    HIS  90           H        HIS  90  -9.630   7.524  -7.271
  606    HA   HIS  90           HA       HIS  90  -7.514   7.178  -6.363
  607    HB2  HIS  90           HB2      HIS  90  -8.224   4.373  -5.636
  608    HB3  HIS  90           HB3      HIS  90  -6.807   5.269  -5.161
  609    HD2  HIS  90           HD2      HIS  90  -9.173   7.861  -4.573
  610    HE1  HIS  90           HE1      HIS  90  -9.558   5.666  -0.985
  611    HE2  HIS  90           HE2      HIS  90 -10.061   7.854  -2.151
  612    H    LEU  91           H        LEU  91  -5.992   7.172  -7.814
  613    HA   LEU  91           HA       LEU  91  -5.715   4.783  -9.608
  614    HB2  LEU  91           HB2      LEU  91  -4.312   6.051 -11.033
  615    HB3  LEU  91           HB3      LEU  91  -5.803   6.924 -10.757
  616    HG   LEU  91           HG       LEU  91  -4.346   8.193  -8.897
  617   HD11  LEU  91          HD11      LEU  91  -2.256   7.270 -10.924
  618   HD12  LEU  91          HD12      LEU  91  -2.017   8.529  -9.701
  619   HD13  LEU  91          HD13      LEU  91  -2.282   6.853  -9.199
  620   HD21  LEU  91          HD21      LEU  91  -5.449   9.261 -10.816
  621   HD22  LEU  91          HD22      LEU  91  -3.818   9.908 -10.590
  622   HD23  LEU  91          HD23      LEU  91  -4.131   8.733 -11.888
  623    H    GLY  92           H        GLY  92  -4.577   6.158  -6.700
  624    HA2  GLY  92           HA2      GLY  92  -2.230   4.368  -6.550
  625    HA3  GLY  92           HA3      GLY  92  -2.826   5.481  -5.288
  626    H    ASP  93           H        ASP  93  -5.113   3.291  -6.831
  627    HA   ASP  93           HA       ASP  93  -4.925   1.429  -4.501
  628    HB2  ASP  93           HB2      ASP  93  -7.298   2.134  -6.262
  629    HB3  ASP  93           HB3      ASP  93  -7.226   0.663  -5.306
  630    H    LEU  94           H        LEU  94  -4.078  -0.458  -4.876
  631    HA   LEU  94           HA       LEU  94  -3.588  -1.365  -7.673
  632    HB2  LEU  94           HB2      LEU  94  -1.876  -1.798  -5.204
  633    HB3  LEU  94           HB3      LEU  94  -1.446  -2.190  -6.820
  634    HG   LEU  94           HG       LEU  94  -0.141  -0.419  -6.463
  635   HD11  LEU  94          HD11      LEU  94  -2.382   1.399  -7.333
  636   HD12  LEU  94          HD12      LEU  94  -0.688   1.381  -7.836
  637   HD13  LEU  94          HD13      LEU  94  -1.807   0.140  -8.423
  638   HD21  LEU  94          HD21      LEU  94  -0.767   0.114  -4.295
  639   HD22  LEU  94          HD22      LEU  94  -0.452   1.546  -5.279
  640   HD23  LEU  94          HD23      LEU  94  -2.136   1.096  -4.946
  641    HA   PRO  95           HA       PRO  95  -5.616  -5.100  -6.506
  642    HB2  PRO  95           HB2      PRO  95  -4.396  -7.116  -7.865
  643    HB3  PRO  95           HB3      PRO  95  -5.249  -5.774  -8.688
  644    HG2  PRO  95           HG2      PRO  95  -2.284  -6.093  -8.214
  645    HG3  PRO  95           HG3      PRO  95  -3.118  -5.569  -9.707
  646    HD2  PRO  95           HD2      PRO  95  -2.004  -3.890  -7.793
  647    HD3  PRO  95           HD3      PRO  95  -3.327  -3.385  -8.907
  648    H    VAL  96           H        VAL  96  -5.485  -7.224  -5.402
  649    HA   VAL  96           HA       VAL  96  -4.109  -6.648  -2.996
  650    HB   VAL  96           HB       VAL  96  -5.156  -8.662  -2.031
  651   HG11  VAL  96          HG11      VAL  96  -7.043  -6.876  -3.629
  652   HG12  VAL  96          HG12      VAL  96  -7.430  -7.796  -2.161
  653   HG13  VAL  96          HG13      VAL  96  -6.277  -6.455  -2.082
  654   HG21  VAL  96          HG21      VAL  96  -5.255 -10.182  -3.970
  655   HG22  VAL  96          HG22      VAL  96  -6.866  -9.896  -3.307
  656   HG23  VAL  96          HG23      VAL  96  -6.373  -9.075  -4.802
  657    H    LEU  97           H        LEU  97  -2.486  -7.367  -1.983
  658    HA   LEU  97           HA       LEU  97  -0.400  -8.980  -3.217
  659    HB2  LEU  97           HB2      LEU  97  -0.228  -6.757  -1.981
  660    HB3  LEU  97           HB3      LEU  97  -0.679  -7.568  -0.523
  661    HG   LEU  97           HG       LEU  97   1.436  -7.861  -0.059
  662   HD11  LEU  97          HD11      LEU  97   1.747  -9.518  -2.609
  663   HD12  LEU  97          HD12      LEU  97   2.940  -9.396  -1.317
  664   HD13  LEU  97          HD13      LEU  97   1.377 -10.127  -0.973
  665   HD21  LEU  97          HD21      LEU  97   1.869  -5.906  -1.391
  666   HD22  LEU  97          HD22      LEU  97   3.252  -7.019  -1.427
  667   HD23  LEU  97          HD23      LEU  97   2.160  -6.913  -2.831
  668    H    VAL  98           H        VAL  98  -1.535 -11.032  -3.301
  669    HA   VAL  98           HA       VAL  98  -2.421 -12.432  -0.933
  670    HB   VAL  98           HB       VAL  98  -1.390 -13.652  -3.512
  671   HG11  VAL  98          HG11      VAL  98  -3.210 -14.746  -1.330
  672   HG12  VAL  98          HG12      VAL  98  -2.913 -15.542  -2.892
  673   HG13  VAL  98          HG13      VAL  98  -1.585 -15.333  -1.756
  674   HG21  VAL  98          HG21      VAL  98  -3.231 -12.090  -4.050
  675   HG22  VAL  98          HG22      VAL  98  -3.807 -13.750  -4.190
  676   HG23  VAL  98          HG23      VAL  98  -4.228 -12.791  -2.755
  677    H    VAL  99           H        VAL  99  -1.257 -13.911   0.357
  678    HA   VAL  99           HA       VAL  99   1.742 -13.878   0.242
  679    HB   VAL  99           HB       VAL  99   0.001 -13.949   2.744
  680   HG11  VAL  99          HG11      VAL  99   2.864 -13.024   2.431
  681   HG12  VAL  99          HG12      VAL  99   1.969 -13.117   3.940
  682   HG13  VAL  99          HG13      VAL  99   2.412 -14.622   3.087
  683   HG21  VAL  99          HG21      VAL  99  -0.475 -11.842   1.691
  684   HG22  VAL  99          HG22      VAL  99   0.591 -11.584   3.088
  685   HG23  VAL  99          HG23      VAL  99   1.258 -11.512   1.435
  686    H    ASN 100           H        ASN 100   2.743 -15.895   1.009
  687    HA   ASN 100           HA       ASN 100   0.898 -18.208   0.700
  688    HB2  ASN 100           HB2      ASN 100   2.619 -19.529   0.000
  689    HB3  ASN 100           HB3      ASN 100   2.877 -17.992  -0.797
  690   HD21  ASN 100          HD21      ASN 100   5.093 -18.012  -1.126
  691   HD22  ASN 100          HD22      ASN 100   6.264 -18.455   0.104
  692    H    ASN 101           H        ASN 101   0.841 -19.891   2.001
  693    HA   ASN 101           HA       ASN 101   0.444 -19.901   4.666
  694    HB2  ASN 101           HB2      ASN 101   0.706 -22.397   4.411
  695    HB3  ASN 101           HB3      ASN 101  -0.305 -21.603   3.204
  696   HD21  ASN 101          HD21      ASN 101   3.173 -22.441   3.727
  697   HD22  ASN 101          HD22      ASN 101   3.529 -22.340   2.032
  698    H    ASP 102           H        ASP 102   3.679 -19.406   3.684
  699    HA   ASP 102           HA       ASP 102   4.817 -20.719   6.121
  700    HB2  ASP 102           HB2      ASP 102   5.748 -20.697   3.527
  701    HB3  ASP 102           HB3      ASP 102   6.603 -19.314   4.203
  702    H    GLY 103           H        GLY 103   3.699 -17.733   4.971
  703    HA2  GLY 103           HA2      GLY 103   3.483 -15.770   6.321
  704    HA3  GLY 103           HA3      GLY 103   4.988 -16.178   7.185
  705    H    ILE 104           H        ILE 104   4.630 -16.358   3.653
  706    HA   ILE 104           HA       ILE 104   6.623 -14.136   3.390
  707    HB   ILE 104           HB       ILE 104   6.433 -16.773   1.857
  708   HG12  ILE 104          HG12      ILE 104   8.700 -15.886   3.666
  709   HG13  ILE 104          HG13      ILE 104   7.408 -16.934   4.214
  710   HG21  ILE 104          HG21      ILE 104   8.498 -14.544   1.555
  711   HG22  ILE 104          HG22      ILE 104   8.518 -16.098   0.699
  712   HG23  ILE 104          HG23      ILE 104   7.236 -14.957   0.373
  713   HD11  ILE 104          HD11      ILE 104   9.479 -17.570   2.086
  714   HD12  ILE 104          HD12      ILE 104   9.246 -18.329   3.666
  715   HD13  ILE 104          HD13      ILE 104   8.038 -18.569   2.390
  716    H    ALA 105           H        ALA 105   6.208 -12.577   2.042
  717    HA   ALA 105           HA       ALA 105   3.790 -12.637   0.318
  718    HB1  ALA 105           HB1      ALA 105   5.794 -10.472   1.108
  719    HB2  ALA 105           HB2      ALA 105   4.485 -10.224  -0.051
  720    HB3  ALA 105           HB3      ALA 105   4.093 -10.621   1.623
  721    H    THR 106           H        THR 106   3.945 -13.265  -1.747
  722    HA   THR 106           HA       THR 106   6.616 -13.219  -3.106
  723    HB   THR 106           HB       THR 106   6.303 -15.315  -1.955
  724    HG1  THR 106           HG1      THR 106   6.358 -15.054  -4.706
  725   HG21  THR 106          HG21      THR 106   3.823 -15.684  -3.709
  726   HG22  THR 106          HG22      THR 106   4.618 -16.968  -2.788
  727   HG23  THR 106          HG23      THR 106   3.867 -15.610  -1.930
  728    H    GLU 107           H        GLU 107   3.212 -12.580  -3.708
  729    HA   GLU 107           HA       GLU 107   3.418 -13.437  -6.460
  730    HB2  GLU 107           HB2      GLU 107   1.244 -11.862  -5.066
  731    HB3  GLU 107           HB3      GLU 107   1.228 -12.341  -6.771
  732    HG2  GLU 107           HG2      GLU 107   1.745 -14.760  -5.729
  733    HG3  GLU 107           HG3      GLU 107   0.948 -14.060  -4.318
  734    HA   PRO 108           HA       PRO 108   4.961  -9.461  -8.069
  735    HB2  PRO 108           HB2      PRO 108   5.086 -10.109 -10.710
  736    HB3  PRO 108           HB3      PRO 108   6.277 -10.683  -9.508
  737    HG2  PRO 108           HG2      PRO 108   3.854 -12.166 -10.570
  738    HG3  PRO 108           HG3      PRO 108   5.537 -12.763 -10.401
  739    HD2  PRO 108           HD2      PRO 108   3.611 -13.265  -8.534
  740    HD3  PRO 108           HD3      PRO 108   5.316 -13.011  -8.075
  741    H    VAL 109           H        VAL 109   3.038  -8.408  -7.395
  742    HA   VAL 109           HA       VAL 109   0.618  -8.634  -9.106
  743    HB   VAL 109           HB       VAL 109  -0.534  -7.291  -7.421
  744   HG11  VAL 109          HG11      VAL 109   0.890  -9.736  -6.299
  745   HG12  VAL 109          HG12      VAL 109  -0.635  -9.055  -5.722
  746   HG13  VAL 109          HG13      VAL 109  -0.545  -9.754  -7.347
  747   HG21  VAL 109          HG21      VAL 109   1.195  -5.956  -6.372
  748   HG22  VAL 109          HG22      VAL 109   0.462  -6.988  -5.153
  749   HG23  VAL 109          HG23      VAL 109   2.054  -7.414  -5.810
  750    H    THR 110           H        THR 110   0.161  -7.285 -10.678
  751    HA   THR 110           HA       THR 110   1.895  -4.858 -10.997
  752    HB   THR 110           HB       THR 110   0.769  -6.800 -13.061
  753    HG1  THR 110           HG1      THR 110   2.956  -7.422 -13.109
  754   HG21  THR 110          HG21      THR 110   2.695  -4.437 -13.350
  755   HG22  THR 110          HG22      THR 110   2.391  -5.668 -14.597
  756   HG23  THR 110          HG23      THR 110   1.084  -4.599 -14.082
  757    H    ALA 111           H        ALA 111   1.004  -2.970 -11.189
  758    HA   ALA 111           HA       ALA 111  -1.930  -2.794 -11.723
  759    HB1  ALA 111           HB1      ALA 111  -0.070  -0.976 -10.161
  760    HB2  ALA 111           HB2      ALA 111  -1.823  -0.757 -10.399
  761    HB3  ALA 111           HB3      ALA 111  -1.206  -2.156  -9.486
  762    HA   PRO 112           HA       PRO 112  -0.520  -0.308 -15.339
  763    HB2  PRO 112           HB2      PRO 112  -2.754  -0.484 -16.868
  764    HB3  PRO 112           HB3      PRO 112  -1.657  -1.878 -16.657
  765    HG2  PRO 112           HG2      PRO 112  -4.198  -1.269 -15.101
  766    HG3  PRO 112           HG3      PRO 112  -3.767  -2.780 -15.961
  767    HD2  PRO 112           HD2      PRO 112  -3.331  -2.457 -13.288
  768    HD3  PRO 112           HD3      PRO 112  -2.173  -3.369 -14.304
  769    H    ARG 113           H        ARG 113  -2.235   0.517 -12.723
  770    HA   ARG 113           HA       ARG 113  -3.852   2.764 -13.694
  771    HB2  ARG 113           HB2      ARG 113  -2.880   2.125 -10.875
  772    HB3  ARG 113           HB3      ARG 113  -4.065   3.343 -11.307
  773    HG2  ARG 113           HG2      ARG 113  -4.389   0.328 -11.443
  774    HG3  ARG 113           HG3      ARG 113  -5.203   1.465 -10.381
  775    HD2  ARG 113           HD2      ARG 113  -5.680   0.969 -13.324
  776    HD3  ARG 113           HD3      ARG 113  -6.818   0.807 -11.988
  777    HE   ARG 113           HE       ARG 113  -6.105   3.208 -13.475
  778   HH11  ARG 113          HH11      ARG 113  -7.863   2.122 -10.510
  779   HH12  ARG 113          HH12      ARG 113  -8.206   3.756 -10.089
  780   HH21  ARG 113          HH21      ARG 113  -6.978   5.195 -12.988
  781   HH22  ARG 113          HH22      ARG 113  -8.065   5.355 -11.632
  782    H    LEU 114           H        LEU 114  -0.575   2.220 -12.969
  783    HA   LEU 114           HA       LEU 114   0.328   4.994 -13.453
  784    HB2  LEU 114           HB2      LEU 114   1.079   3.173 -11.125
  785    HB3  LEU 114           HB3      LEU 114   2.079   4.526 -11.625
  786    HG   LEU 114           HG       LEU 114  -0.796   5.188 -11.015
  787   HD11  LEU 114          HD11      LEU 114   1.230   4.458  -8.889
  788   HD12  LEU 114          HD12      LEU 114  -0.329   5.262  -8.583
  789   HD13  LEU 114          HD13      LEU 114  -0.297   3.608  -9.219
  790   HD21  LEU 114          HD21      LEU 114   0.861   6.936 -11.654
  791   HD22  LEU 114          HD22      LEU 114   0.265   7.175  -9.998
  792   HD23  LEU 114          HD23      LEU 114   1.863   6.468 -10.254
  793    H    LYS 115           H        LYS 115   2.678   4.833 -14.183
  794    HA   LYS 115           HA       LYS 115   3.561   2.157 -14.957
  795    HB2  LYS 115           HB2      LYS 115   3.421   2.247 -17.254
  796    HB3  LYS 115           HB3      LYS 115   1.835   2.727 -16.709
  797    HG2  LYS 115           HG2      LYS 115   3.955   4.769 -17.578
  798    HG3  LYS 115           HG3      LYS 115   2.959   3.892 -18.714
  799    HD2  LYS 115           HD2      LYS 115   1.825   5.868 -18.522
  800    HD3  LYS 115           HD3      LYS 115   0.909   4.758 -17.512
  801    HE2  LYS 115           HE2      LYS 115   1.089   6.993 -16.504
  802    HE3  LYS 115           HE3      LYS 115   1.842   5.787 -15.480
  803    HZ1  LYS 115           HZ1      LYS 115   3.301   7.637 -17.280
  804    HZ2  LYS 115           HZ2      LYS 115   3.135   7.753 -15.636
  805    HZ3  LYS 115           HZ3      LYS 115   4.014   6.548 -16.250
  806    H    SER 116           H        SER 116   4.612   4.855 -13.727
  807    HA   SER 116           HA       SER 116   7.354   4.109 -14.431
  808    HB2  SER 116           HB2      SER 116   7.937   6.518 -15.015
  809    HB3  SER 116           HB3      SER 116   7.125   5.542 -16.236
  810    HG   SER 116           HG       SER 116   6.294   7.815 -14.945
  811    H    LEU 117           H        LEU 117   8.974   5.050 -12.947
  812    HA   LEU 117           HA       LEU 117   7.770   5.534 -10.293
  813    HB2  LEU 117           HB2      LEU 117  10.657   5.375 -11.260
  814    HB3  LEU 117           HB3      LEU 117  10.234   5.945  -9.659
  815    HG   LEU 117           HG       LEU 117  10.876   3.833  -9.264
  816   HD11  LEU 117          HD11      LEU 117   7.862   3.475  -9.435
  817   HD12  LEU 117          HD12      LEU 117   8.997   2.658  -8.346
  818   HD13  LEU 117          HD13      LEU 117   8.706   4.397  -8.165
  819   HD21  LEU 117          HD21      LEU 117  10.933   2.932 -11.534
  820   HD22  LEU 117          HD22      LEU 117  10.247   1.806 -10.355
  821   HD23  LEU 117          HD23      LEU 117   9.169   2.679 -11.481
  822    H    ASP 118           H        ASP 118   8.833   7.633 -12.840
  823    HA   ASP 118           HA       ASP 118   9.692   9.896 -11.412
  824    HB2  ASP 118           HB2      ASP 118   9.264  11.157 -13.422
  825    HB3  ASP 118           HB3      ASP 118  10.003   9.611 -13.806
  826    H    GLU 119           H        GLU 119   6.402   9.010 -12.270
  827    HA   GLU 119           HA       GLU 119   5.109  11.268 -11.035
  828    HB2  GLU 119           HB2      GLU 119   3.042   9.972 -11.526
  829    HB3  GLU 119           HB3      GLU 119   4.146  10.179 -12.889
  830    HG2  GLU 119           HG2      GLU 119   5.004   7.852 -12.494
  831    HG3  GLU 119           HG3      GLU 119   3.727   7.633 -11.291
  832    H    VAL 120           H        VAL 120   6.633   8.702  -9.497
  833    HA   VAL 120           HA       VAL 120   4.838   8.871  -7.108
  834    HB   VAL 120           HB       VAL 120   6.419   6.373  -7.501
  835   HG11  VAL 120          HG11      VAL 120   3.473   6.860  -6.804
  836   HG12  VAL 120          HG12      VAL 120   4.375   5.346  -6.592
  837   HG13  VAL 120          HG13      VAL 120   4.771   6.756  -5.611
  838   HG21  VAL 120          HG21      VAL 120   5.603   6.619  -9.797
  839   HG22  VAL 120          HG22      VAL 120   4.808   5.287  -8.960
  840   HG23  VAL 120          HG23      VAL 120   3.942   6.821  -9.191
  841    H    LYS 121           H        LYS 121   7.783   9.860  -8.057
  842    HA   LYS 121           HA       LYS 121   9.630   8.934  -6.139
  843    HB2  LYS 121           HB2      LYS 121  11.056  10.677  -7.029
  844    HB3  LYS 121           HB3      LYS 121  10.131   9.954  -8.345
  845    HG2  LYS 121           HG2      LYS 121   8.545  11.888  -8.274
  846    HG3  LYS 121           HG3      LYS 121   9.482  12.608  -6.965
  847    HD2  LYS 121           HD2      LYS 121  11.442  12.827  -8.392
  848    HD3  LYS 121           HD3      LYS 121  10.620  12.021  -9.739
  849    HE2  LYS 121           HE2      LYS 121   9.518  14.535  -8.415
  850    HE3  LYS 121           HE3      LYS 121  10.696  14.632  -9.731
  851    HZ1  LYS 121           HZ1      LYS 121   8.259  13.035 -10.137
  852    HZ2  LYS 121           HZ2      LYS 121   8.205  14.675 -10.320
  853    HZ3  LYS 121           HZ3      LYS 121   9.202  13.779 -11.243
  854    H    ASP 122           H        ASP 122   7.073  10.408  -5.080
  855    HA   ASP 122           HA       ASP 122   8.317  12.168  -2.999
  856    HB2  ASP 122           HB2      ASP 122   7.478  13.346  -5.101
  857    HB3  ASP 122           HB3      ASP 122   5.866  12.765  -4.715
  858    H    LYS 123           H        LYS 123   6.957   9.335  -3.161
  859    HA   LYS 123           HA       LYS 123   4.560   9.789  -1.429
  860    HB2  LYS 123           HB2      LYS 123   4.760   8.104  -3.937
  861    HB3  LYS 123           HB3      LYS 123   3.344   8.247  -2.896
  862    HG2  LYS 123           HG2      LYS 123   3.404  10.755  -3.358
  863    HG3  LYS 123           HG3      LYS 123   4.588  10.417  -4.634
  864    HD2  LYS 123           HD2      LYS 123   2.979   8.962  -5.794
  865    HD3  LYS 123           HD3      LYS 123   1.838   9.125  -4.460
  866    HE2  LYS 123           HE2      LYS 123   1.053  10.569  -6.096
  867    HE3  LYS 123           HE3      LYS 123   1.773  11.605  -4.855
  868    HZ1  LYS 123           HZ1      LYS 123   3.119  10.877  -7.421
  869    HZ2  LYS 123           HZ2      LYS 123   2.454  12.334  -7.079
  870    HZ3  LYS 123           HZ3      LYS 123   3.749  11.822  -6.234
  871    H    ALA 124           H        ALA 124   3.621   7.983  -0.406
  872    HA   ALA 124           HA       ALA 124   5.484   5.761   0.290
  873    HB1  ALA 124           HB1      ALA 124   3.051   6.908   1.713
  874    HB2  ALA 124           HB2      ALA 124   3.937   5.458   2.238
  875    HB3  ALA 124           HB3      ALA 124   4.754   7.013   2.228
  876    H    LEU 125           H        LEU 125   4.708   3.698   0.520
  877    HA   LEU 125           HA       LEU 125   2.353   2.781  -1.096
  878    HB2  LEU 125           HB2      LEU 125   5.006   1.431  -0.534
  879    HB3  LEU 125           HB3      LEU 125   3.686   0.711  -1.433
  880    HG   LEU 125           HG       LEU 125   4.685   3.331  -2.527
  881   HD11  LEU 125          HD11      LEU 125   6.330   0.779  -2.472
  882   HD12  LEU 125          HD12      LEU 125   6.647   2.169  -3.529
  883   HD13  LEU 125          HD13      LEU 125   6.766   2.357  -1.768
  884   HD21  LEU 125          HD21      LEU 125   2.996   1.708  -3.633
  885   HD22  LEU 125          HD22      LEU 125   4.329   2.318  -4.638
  886   HD23  LEU 125          HD23      LEU 125   4.403   0.682  -3.978
  887    H    MET 126           H        MET 126   0.957   1.493   0.140
  888    HA   MET 126           HA       MET 126   1.920   0.562   2.834
  889    HB2  MET 126           HB2      MET 126  -0.817   1.688   2.141
  890    HB3  MET 126           HB3      MET 126  -0.367   0.915   3.666
  891    HG2  MET 126           HG2      MET 126  -0.117   3.132   4.203
  892    HG3  MET 126           HG3      MET 126   1.537   2.694   3.787
  893    HE1  MET 126           HE1      MET 126   1.953   5.311   3.813
  894    HE2  MET 126           HE2      MET 126   1.050   6.459   2.811
  895    HE3  MET 126           HE3      MET 126   0.228   5.595   4.127
  896    H    ILE 127           H        ILE 127   1.712  -1.461   3.290
  897    HA   ILE 127           HA       ILE 127  -0.073  -3.261   1.686
  898    HB   ILE 127           HB       ILE 127   2.224  -3.969   3.553
  899   HG12  ILE 127          HG12      ILE 127   1.890  -4.253   0.524
  900   HG13  ILE 127          HG13      ILE 127   2.939  -3.096   1.339
  901   HG21  ILE 127          HG21      ILE 127   0.385  -5.803   1.939
  902   HG22  ILE 127          HG22      ILE 127   1.763  -6.322   2.935
  903   HG23  ILE 127          HG23      ILE 127   0.356  -5.622   3.707
  904   HD11  ILE 127          HD11      ILE 127   3.295  -6.117   1.308
  905   HD12  ILE 127          HD12      ILE 127   4.296  -4.897   0.521
  906   HD13  ILE 127          HD13      ILE 127   4.268  -4.992   2.293
  907    H    HIS 128           H        HIS 128  -1.880  -3.759   2.501
  908    HA   HIS 128           HA       HIS 128  -2.612  -2.712   5.171
  909    HB2  HIS 128           HB2      HIS 128  -3.648  -2.621   2.355
  910    HB3  HIS 128           HB3      HIS 128  -4.847  -2.562   3.567
  911    HD1  HIS 128           HD1      HIS 128  -4.102  -0.590   5.622
  912    HD2  HIS 128           HD2      HIS 128  -3.194  -0.209   1.568
  913    HE1  HIS 128           HE1      HIS 128  -4.025   1.921   5.171
  914    H    VAL 129           H        VAL 129  -4.169  -3.775   6.497
  915    HA   VAL 129           HA       VAL 129  -3.246  -6.433   6.756
  916    HB   VAL 129           HB       VAL 129  -4.595  -6.699   8.777
  917   HG11  VAL 129          HG11      VAL 129  -3.253  -3.999   8.619
  918   HG12  VAL 129          HG12      VAL 129  -3.595  -4.919  10.093
  919   HG13  VAL 129          HG13      VAL 129  -2.451  -5.553   8.899
  920   HG21  VAL 129          HG21      VAL 129  -6.673  -5.553   8.090
  921   HG22  VAL 129          HG22      VAL 129  -6.051  -4.945   9.624
  922   HG23  VAL 129          HG23      VAL 129  -5.821  -3.996   8.138
  923    H    GLY 130           H        GLY 130  -6.112  -5.536   5.079
  924    HA2  GLY 130           HA2      GLY 130  -6.458  -8.434   4.495
  925    HA3  GLY 130           HA3      GLY 130  -7.903  -7.476   4.840
  926    H    GLY 131           H        GLY 131  -7.241  -8.749   2.310
  927    HA2  GLY 131           HA2      GLY 131  -6.796  -6.863   0.238
  928    HA3  GLY 131           HA3      GLY 131  -7.910  -8.232   0.156
  929    H    ASP 132           H        ASP 132  -7.740  -5.037  -0.190
  930    HA   ASP 132           HA       ASP 132 -10.056  -4.261   1.469
  931    HB2  ASP 132           HB2      ASP 132  -8.777  -2.557   2.127
  932    HB3  ASP 132           HB3      ASP 132  -7.437  -3.431   1.457
  933    H    ASN 133           H        ASN 133  -9.664  -5.030  -1.614
  934    HA   ASN 133           HA       ASN 133 -10.484  -2.889  -3.245
  935    HB2  ASN 133           HB2      ASN 133 -10.559  -4.667  -4.969
  936    HB3  ASN 133           HB3      ASN 133  -9.133  -4.796  -3.954
  937   HD21  ASN 133          HD21      ASN 133 -12.242  -6.298  -4.769
  938   HD22  ASN 133          HD22      ASN 133 -11.889  -7.812  -3.933
  939    H    MET 134           H        MET 134 -12.456  -3.233  -1.122
  940    HA   MET 134           HA       MET 134 -14.981  -3.845  -2.627
  941    HB2  MET 134           HB2      MET 134 -14.203  -4.164   0.288
  942    HB3  MET 134           HB3      MET 134 -15.884  -4.176  -0.257
  943    HG2  MET 134           HG2      MET 134 -15.577  -6.139  -1.564
  944    HG3  MET 134           HG3      MET 134 -13.822  -6.044  -1.484
  945    HE1  MET 134           HE1      MET 134 -12.513  -6.073   0.828
  946    HE2  MET 134           HE2      MET 134 -12.742  -7.584   1.729
  947    HE3  MET 134           HE3      MET 134 -12.472  -7.624  -0.021
  948    H    SER 135           H        SER 135 -15.588  -1.911  -3.392
  949    HA   SER 135           HA       SER 135 -15.459   0.605  -1.990
  950    HB2  SER 135           HB2      SER 135 -16.774   1.284  -4.065
  951    HB3  SER 135           HB3      SER 135 -15.197   0.538  -4.356
  952    HG   SER 135           HG       SER 135 -17.106  -0.250  -5.621
  953    H    ASP 136           H        ASP 136 -17.233  -1.770  -0.917
  954    HA   ASP 136           HA       ASP 136 -19.866  -0.379  -0.791
  955    HB2  ASP 136           HB2      ASP 136 -19.374  -1.898  -2.840
  956    HB3  ASP 136           HB3      ASP 136 -19.470  -3.244  -1.705
  957    H    GLN 137           H        GLN 137 -17.712  -1.608   1.227
  958    HA   GLN 137           HA       GLN 137 -19.660  -3.040   2.970
  959    HB2  GLN 137           HB2      GLN 137 -16.682  -3.161   2.642
  960    HB3  GLN 137           HB3      GLN 137 -17.267  -3.211   4.298
  961    HG2  GLN 137           HG2      GLN 137 -16.930  -5.466   3.270
  962    HG3  GLN 137           HG3      GLN 137 -18.515  -5.183   3.982
  963   HE21  GLN 137          HE21      GLN 137 -16.822  -5.842   0.917
  964   HE22  GLN 137          HE22      GLN 137 -18.297  -5.906  -0.034
  965    HA   PRO 138           HA       PRO 138 -20.231   0.672   5.191
  966    HB2  PRO 138           HB2      PRO 138 -21.085  -0.184   7.658
  967    HB3  PRO 138           HB3      PRO 138 -22.042  -0.350   6.155
  968    HG2  PRO 138           HG2      PRO 138 -20.265  -2.436   7.460
  969    HG3  PRO 138           HG3      PRO 138 -21.955  -2.622   6.888
  970    HD2  PRO 138           HD2      PRO 138 -19.864  -3.387   5.342
  971    HD3  PRO 138           HD3      PRO 138 -21.289  -2.580   4.616
  972    H    LYS 139           H        LYS 139 -18.017  -1.663   6.693
  973    HA   LYS 139           HA       LYS 139 -16.333   0.646   7.528
  974    HB2  LYS 139           HB2      LYS 139 -15.742  -2.333   7.749
  975    HB3  LYS 139           HB3      LYS 139 -14.678  -1.002   8.215
  976    HG2  LYS 139           HG2      LYS 139 -16.621  -0.249   9.784
  977    HG3  LYS 139           HG3      LYS 139 -17.288  -1.869   9.505
  978    HD2  LYS 139           HD2      LYS 139 -15.064  -2.822  10.314
  979    HD3  LYS 139           HD3      LYS 139 -14.565  -1.159  10.680
  980    HE2  LYS 139           HE2      LYS 139 -16.883  -1.130  12.021
  981    HE3  LYS 139           HE3      LYS 139 -16.648  -2.888  12.030
  982    HZ1  LYS 139           HZ1      LYS 139 -14.829  -0.818  13.102
  983    HZ2  LYS 139           HZ2      LYS 139 -15.661  -1.880  13.988
  984    HZ3  LYS 139           HZ3      LYS 139 -14.419  -2.425  13.052
  985    HA   PRO 140           HA       PRO 140 -15.328   0.184   3.092
  986    HB2  PRO 140           HB2      PRO 140 -13.963   2.520   2.697
  987    HB3  PRO 140           HB3      PRO 140 -15.741   2.450   2.875
  988    HG2  PRO 140           HG2      PRO 140 -13.685   3.052   5.030
  989    HG3  PRO 140           HG3      PRO 140 -15.151   3.998   4.609
  990    HD2  PRO 140           HD2      PRO 140 -15.156   2.203   6.640
  991    HD3  PRO 140           HD3      PRO 140 -16.584   2.383   5.573
  992    H    LEU 141           H        LEU 141 -13.122   0.404   1.845
  993    HA   LEU 141           HA       LEU 141 -11.110  -0.642   1.466
  994    HB2  LEU 141           HB2      LEU 141 -10.470   0.115   4.356
  995    HB3  LEU 141           HB3      LEU 141  -9.361  -0.602   3.217
  996    HG   LEU 141           HG       LEU 141  -9.489   1.377   1.754
  997   HD11  LEU 141          HD11      LEU 141 -11.236   2.553   3.949
  998   HD12  LEU 141          HD12      LEU 141 -10.355   3.531   2.756
  999   HD13  LEU 141          HD13      LEU 141 -11.603   2.419   2.209
 1000   HD21  LEU 141          HD21      LEU 141  -7.732   1.099   3.480
 1001   HD22  LEU 141          HD22      LEU 141  -8.134   2.806   3.263
 1002   HD23  LEU 141          HD23      LEU 141  -8.762   1.935   4.666
 1003    H    GLY 142           H        GLY 142 -13.417  -2.120   2.094
 1004    HA2  GLY 142           HA2      GLY 142 -14.137  -4.270   2.560
 1005    HA3  GLY 142           HA3      GLY 142 -12.419  -4.736   2.559
 1006    H    GLY 143           H        GLY 143 -12.961  -2.419   4.990
 1007    HA2  GLY 143           HA2      GLY 143 -12.988  -2.632   7.320
 1008    HA3  GLY 143           HA3      GLY 143 -13.386  -4.363   7.170
 1009    H    GLY 144           H        GLY 144 -10.817  -3.965   5.152
 1010    HA2  GLY 144           HA2      GLY 144  -8.838  -4.979   7.132
 1011    HA3  GLY 144           HA3      GLY 144  -8.815  -5.189   5.361
 1012    H    GLY 145           H        GLY 145  -9.554  -2.014   6.322
 1013    HA2  GLY 145           HA2      GLY 145  -7.388  -0.931   4.877
 1014    HA3  GLY 145           HA3      GLY 145  -8.547  -0.016   5.866
 1015    H    THR 146           H        THR 146  -7.159  -1.921   8.129
 1016    HA   THR 146           HA       THR 146  -5.241   0.045   9.067
 1017    HB   THR 146           HB       THR 146  -5.989  -2.746   9.982
 1018    HG1  THR 146           HG1      THR 146  -7.094  -1.596  11.461
 1019   HG21  THR 146          HG21      THR 146  -4.081  -0.795  11.340
 1020   HG22  THR 146          HG22      THR 146  -4.859  -2.183  12.128
 1021   HG23  THR 146          HG23      THR 146  -3.714  -2.467  10.821
 1022    H    ARG 147           H        ARG 147  -2.978  -0.521   9.519
 1023    HA   ARG 147           HA       ARG 147  -1.589  -1.311   7.054
 1024    HB2  ARG 147           HB2      ARG 147   0.393  -0.408   8.524
 1025    HB3  ARG 147           HB3      ARG 147  -0.758   0.677   7.779
 1026    HG2  ARG 147           HG2      ARG 147  -0.158   1.363  10.076
 1027    HG3  ARG 147           HG3      ARG 147  -1.887   1.120   9.867
 1028    HD2  ARG 147           HD2      ARG 147  -1.713  -1.090  10.979
 1029    HD3  ARG 147           HD3      ARG 147   0.031  -0.853  11.161
 1030    HE   ARG 147           HE       ARG 147  -1.699   1.201  12.404
 1031   HH11  ARG 147          HH11      ARG 147  -0.425  -2.058  12.852
 1032   HH12  ARG 147          HH12      ARG 147  -0.246  -1.868  14.571
 1033   HH21  ARG 147          HH21      ARG 147  -1.505   1.379  14.647
 1034   HH22  ARG 147          HH22      ARG 147  -1.106  -0.042  15.587
 1035    H    TYR 148           H        TYR 148  -0.253  -3.076   6.738
 1036    HA   TYR 148           HA       TYR 148   0.879  -4.322   9.213
 1037    HB2  TYR 148           HB2      TYR 148  -0.471  -5.916   7.602
 1038    HB3  TYR 148           HB3      TYR 148   1.021  -5.955   6.660
 1039    HD1  TYR 148           HD1      TYR 148  -0.485  -6.708   9.977
 1040    HD2  TYR 148           HD2      TYR 148   3.043  -6.993   7.512
 1041    HE1  TYR 148           HE1      TYR 148   0.533  -8.272  11.620
 1042    HE2  TYR 148           HE2      TYR 148   4.061  -8.556   9.155
 1043    HH   TYR 148           HH       TYR 148   2.424  -9.494  12.201
 1044    H    ALA 149           H        ALA 149   1.611  -2.769   6.088
 1045    HA   ALA 149           HA       ALA 149   4.146  -2.028   7.293
 1046    HB1  ALA 149           HB1      ALA 149   4.245  -3.513   4.631
 1047    HB2  ALA 149           HB2      ALA 149   5.616  -2.848   5.538
 1048    HB3  ALA 149           HB3      ALA 149   4.713  -4.221   6.193
 1049    H    CYS 150           H        CYS 150   5.266  -0.309   6.252
 1050    HA   CYS 150           HA       CYS 150   3.927   1.089   4.013
 1051    HB2  CYS 150           HB2      CYS 150   3.210   2.073   6.175
 1052    HB3  CYS 150           HB3      CYS 150   4.896   2.426   6.561
 1053    H    GLY 151           H        GLY 151   5.380   2.286   2.722
 1054    HA2  GLY 151           HA2      GLY 151   8.241   2.430   3.381
 1055    HA3  GLY 151           HA3      GLY 151   7.870   1.416   1.988
 1056    H    VAL 152           H        VAL 152   9.134   4.196   2.477
 1057    HA   VAL 152           HA       VAL 152   7.556   5.897   0.628
 1058    HB   VAL 152           HB       VAL 152  10.045   6.543   2.252
 1059   HG11  VAL 152          HG11      VAL 152   8.301   8.341   0.498
 1060   HG12  VAL 152          HG12      VAL 152   9.551   8.919   1.619
 1061   HG13  VAL 152          HG13      VAL 152  10.012   7.938   0.229
 1062   HG21  VAL 152          HG21      VAL 152   8.077   6.295   3.692
 1063   HG22  VAL 152          HG22      VAL 152   8.497   8.003   3.559
 1064   HG23  VAL 152          HG23      VAL 152   7.127   7.358   2.630
 1065    H    ILE 153           H        ILE 153   8.175   6.294  -1.429
 1066    HA   ILE 153           HA       ILE 153  10.108   4.497  -2.651
 1067    HB   ILE 153           HB       ILE 153   8.296   6.662  -3.683
 1068   HG12  ILE 153          HG12      ILE 153   8.431   3.736  -4.508
 1069   HG13  ILE 153          HG13      ILE 153   7.733   4.123  -2.947
 1070   HG21  ILE 153          HG21      ILE 153  10.305   5.042  -5.331
 1071   HG22  ILE 153          HG22      ILE 153   8.961   5.986  -6.007
 1072   HG23  ILE 153          HG23      ILE 153  10.261   6.810  -5.156
 1073   HD11  ILE 153          HD11      ILE 153   6.813   5.273  -5.605
 1074   HD12  ILE 153          HD12      ILE 153   5.994   3.998  -4.708
 1075   HD13  ILE 153          HD13      ILE 153   6.088   5.628  -4.014
 1076    H    LYS 154           H        LYS 154  12.159   4.679  -2.678
 1077    HA   LYS 154           HA       LYS 154  13.646   6.899  -1.792
 1078    HB2  LYS 154           HB2      LYS 154  14.416   4.532  -3.552
 1079    HB3  LYS 154           HB3      LYS 154  15.574   5.659  -2.825
 1080    HG2  LYS 154           HG2      LYS 154  15.064   4.963  -0.607
 1081    HG3  LYS 154           HG3      LYS 154  13.608   4.109  -1.111
 1082    HD2  LYS 154           HD2      LYS 154  15.333   2.526  -0.565
 1083    HD3  LYS 154           HD3      LYS 154  14.922   2.398  -2.267
 1084    HE2  LYS 154           HE2      LYS 154  17.359   3.935  -1.226
 1085    HE3  LYS 154           HE3      LYS 154  17.378   2.219  -1.648
 1086    HZ1  LYS 154           HZ1      LYS 154  16.970   4.500  -3.462
 1087    HZ2  LYS 154           HZ2      LYS 154  18.088   3.347  -3.564
 1088    HZ3  LYS 154           HZ3      LYS 154  16.521   2.966  -3.905
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1  13.122   2.013 -15.330
    2    H2   ALA   1           H2       ALA   1  13.432   3.612 -15.579
    3    H3   ALA   1           H3       ALA   1  12.022   3.177 -14.891
    4    HA   ALA   1           HA       ALA   1  14.709   2.923 -13.755
    5    HB1  ALA   1           HB1      ALA   1  12.316   4.598 -12.911
    6    HB2  ALA   1           HB2      ALA   1  13.824   4.439 -11.977
    7    HB3  ALA   1           HB3      ALA   1  13.842   5.180 -13.582
    8    H    SER   2           H        SER   2  14.082   2.517 -11.040
    9    HA   SER   2           HA       SER   2  12.639   0.018 -10.816
   10    HB2  SER   2           HB2      SER   2  15.666  -0.191 -10.903
   11    HB3  SER   2           HB3      SER   2  14.506  -1.499 -10.665
   12    HG   SER   2           HG       SER   2  13.932  -1.355 -12.856
   13    H    GLU   3           H        GLU   3  12.283  -0.191  -8.603
   14    HA   GLU   3           HA       GLU   3  14.438   0.702  -6.801
   15    HB2  GLU   3           HB2      GLU   3  12.903   2.669  -7.172
   16    HB3  GLU   3           HB3      GLU   3  11.621   1.734  -6.351
   17    HG2  GLU   3           HG2      GLU   3  13.167   1.430  -4.418
   18    HG3  GLU   3           HG3      GLU   3  14.384   2.447  -5.229
   19    H    LYS   4           H        LYS   4  14.885  -0.828  -5.454
   20    HA   LYS   4           HA       LYS   4  13.053  -2.913  -4.650
   21    HB2  LYS   4           HB2      LYS   4  15.584  -3.004  -5.247
   22    HB3  LYS   4           HB3      LYS   4  15.867  -2.271  -3.668
   23    HG2  LYS   4           HG2      LYS   4  14.340  -4.259  -2.828
   24    HG3  LYS   4           HG3      LYS   4  14.686  -4.948  -4.412
   25    HD2  LYS   4           HD2      LYS   4  16.341  -5.898  -2.983
   26    HD3  LYS   4           HD3      LYS   4  17.185  -4.612  -3.859
   27    HE2  LYS   4           HE2      LYS   4  16.608  -3.097  -1.830
   28    HE3  LYS   4           HE3      LYS   4  16.133  -4.575  -0.990
   29    HZ1  LYS   4           HZ1      LYS   4  18.816  -3.934  -2.073
   30    HZ2  LYS   4           HZ2      LYS   4  18.416  -4.011  -0.492
   31    HZ3  LYS   4           HZ3      LYS   4  18.452  -5.386  -1.364
   32    H    VAL   5           H        VAL   5  11.385  -1.530  -3.606
   33    HA   VAL   5           HA       VAL   5  12.260   0.571  -1.902
   34    HB   VAL   5           HB       VAL   5   9.404  -0.434  -1.994
   35   HG11  VAL   5          HG11      VAL   5  10.659   2.273  -1.327
   36   HG12  VAL   5          HG12      VAL   5   8.919   2.003  -1.520
   37   HG13  VAL   5          HG13      VAL   5   9.789   1.197  -0.213
   38   HG21  VAL   5          HG21      VAL   5   9.922  -0.118  -4.270
   39   HG22  VAL   5          HG22      VAL   5   9.174   1.422  -3.785
   40   HG23  VAL   5          HG23      VAL   5  10.921   1.298  -3.957
   41    H    GLY   6           H        GLY   6  12.834   0.601  -0.010
   42    HA2  GLY   6           HA2      GLY   6  12.721  -1.396   2.032
   43    HA3  GLY   6           HA3      GLY   6  13.288   0.281   2.209
   44    H    MET   7           H        MET   7  10.624  -1.921   2.385
   45    HA   MET   7           HA       MET   7   8.751  -0.018   3.641
   46    HB2  MET   7           HB2      MET   7   8.663  -3.049   3.249
   47    HB3  MET   7           HB3      MET   7   7.377  -2.059   3.983
   48    HG2  MET   7           HG2      MET   7   7.240  -0.757   1.863
   49    HG3  MET   7           HG3      MET   7   8.351  -1.899   1.108
   50    HE1  MET   7           HE1      MET   7   5.933  -1.525  -0.398
   51    HE2  MET   7           HE2      MET   7   4.419  -2.351   0.030
   52    HE3  MET   7           HE3      MET   7   4.958  -0.939   0.975
   53    H    ASN   8           H        ASN   8   8.170  -0.063   5.793
   54    HA   ASN   8           HA       ASN   8   9.593  -1.953   7.630
   55    HB2  ASN   8           HB2      ASN   8   8.989   0.982   7.991
   56    HB3  ASN   8           HB3      ASN   8   8.957  -0.106   9.388
   57   HD21  ASN   8          HD21      ASN   8  10.823  -0.163  10.472
   58   HD22  ASN   8          HD22      ASN   8  12.424  -0.020   9.742
   59    H    LEU   9           H        LEU   9   8.379  -2.646   9.422
   60    HA   LEU   9           HA       LEU   9   5.490  -3.047   9.055
   61    HB2  LEU   9           HB2      LEU   9   7.371  -3.697  11.371
   62    HB3  LEU   9           HB3      LEU   9   5.722  -4.279  11.184
   63    HG   LEU   9           HG       LEU   9   8.038  -4.964   9.299
   64   HD11  LEU   9          HD11      LEU   9   6.778  -6.548  11.567
   65   HD12  LEU   9          HD12      LEU   9   7.886  -7.215  10.356
   66   HD13  LEU   9          HD13      LEU   9   8.454  -5.943  11.450
   67   HD21  LEU   9          HD21      LEU   9   5.901  -5.083   8.124
   68   HD22  LEU   9          HD22      LEU   9   6.473  -6.717   8.466
   69   HD23  LEU   9          HD23      LEU   9   5.183  -6.005   9.463
   70    H    VAL  10           H        VAL  10   4.015  -1.640   9.839
   71    HA   VAL  10           HA       VAL  10   4.722   0.315  11.935
   72    HB   VAL  10           HB       VAL  10   4.149   2.255  10.785
   73   HG11  VAL  10          HG11      VAL  10   5.663   0.803   8.587
   74   HG12  VAL  10          HG12      VAL  10   5.743   2.516   9.030
   75   HG13  VAL  10          HG13      VAL  10   6.420   1.289  10.110
   76   HG21  VAL  10          HG21      VAL  10   2.169   1.644   9.533
   77   HG22  VAL  10          HG22      VAL  10   3.322   2.388   8.443
   78   HG23  VAL  10          HG23      VAL  10   3.126   0.618   8.432
   79    H    THR  11           H        THR  11   3.021   1.166  13.007
   80    HA   THR  11           HA       THR  11   0.488   1.699  12.213
   81    HB   THR  11           HB       THR  11  -0.184  -0.548  11.874
   82    HG1  THR  11           HG1      THR  11  -1.400  -0.081  14.274
   83   HG21  THR  11          HG21      THR  11   0.404  -1.163  14.810
   84   HG22  THR  11          HG22      THR  11  -0.344  -2.235  13.608
   85   HG23  THR  11          HG23      THR  11   1.350  -1.769  13.437
   86    H    ALA  12           H        ALA  12   0.001   3.270  13.495
   87    HA   ALA  12           HA       ALA  12  -0.504   4.592  15.224
   88    HB1  ALA  12           HB1      ALA  12  -0.686   1.943  16.716
   89    HB2  ALA  12           HB2      ALA  12  -1.417   3.479  17.216
   90    HB3  ALA  12           HB3      ALA  12  -1.955   2.702  15.718
   91    H    GLN  13           H        GLN  13   2.104   2.398  16.292
   92    HA   GLN  13           HA       GLN  13   3.245   4.532  18.046
   93    HB2  GLN  13           HB2      GLN  13   3.612   1.556  17.642
   94    HB3  GLN  13           HB3      GLN  13   5.018   2.522  18.090
   95    HG2  GLN  13           HG2      GLN  13   4.173   1.601  20.051
   96    HG3  GLN  13           HG3      GLN  13   3.980   3.368  20.075
   97   HE21  GLN  13          HE21      GLN  13   1.684   4.142  19.300
   98   HE22  GLN  13          HE22      GLN  13   0.386   2.977  19.531
   99    H    GLY  14           H        GLY  14   3.370   3.658  14.771
  100    HA2  GLY  14           HA2      GLY  14   4.450   5.030  13.156
  101    HA3  GLY  14           HA3      GLY  14   5.711   5.439  14.355
  102    H    VAL  15           H        VAL  15   7.171   5.013  12.715
  103    HA   VAL  15           HA       VAL  15   7.524   2.522  11.373
  104    HB   VAL  15           HB       VAL  15   9.534   4.712  11.994
  105   HG11  VAL  15          HG11      VAL  15   9.771   2.336  10.093
  106   HG12  VAL  15          HG12      VAL  15  10.887   3.719  10.137
  107   HG13  VAL  15          HG13      VAL  15  10.784   2.631  11.523
  108   HG21  VAL  15          HG21      VAL  15   7.637   5.395  10.518
  109   HG22  VAL  15          HG22      VAL  15   9.164   5.346   9.635
  110   HG23  VAL  15          HG23      VAL  15   7.991   4.027   9.445
  111    H    GLY  16           H        GLY  16   7.714   0.653  12.332
  112    HA2  GLY  16           HA2      GLY  16   8.929   0.273  14.968
  113    HA3  GLY  16           HA3      GLY  16   8.129  -0.939  13.920
  114    H    GLN  17           H        GLN  17   9.281  -1.981  12.301
  115    HA   GLN  17           HA       GLN  17  12.135  -1.591  11.941
  116    HB2  GLN  17           HB2      GLN  17  12.873  -3.773  12.563
  117    HB3  GLN  17           HB3      GLN  17  12.188  -3.002  13.980
  118    HG2  GLN  17           HG2      GLN  17  10.407  -4.495  14.111
  119    HG3  GLN  17           HG3      GLN  17  10.373  -4.808  12.364
  120   HE21  GLN  17          HE21      GLN  17  12.284  -6.110  11.411
  121   HE22  GLN  17          HE22      GLN  17  12.878  -7.366  12.483
  122    H    SER  18           H        SER  18  12.931  -3.067  10.205
  123    HA   SER  18           HA       SER  18  10.745  -3.904   8.357
  124    HB2  SER  18           HB2      SER  18  12.154  -2.116   7.511
  125    HB3  SER  18           HB3      SER  18  13.608  -3.084   7.795
  126    HG   SER  18           HG       SER  18  11.765  -3.118   5.749
  127    H    ILE  19           H        ILE  19  11.535  -5.565   6.774
  128    HA   ILE  19           HA       ILE  19  12.742  -7.982   7.956
  129    HB   ILE  19           HB       ILE  19  10.639  -9.307   7.649
  130   HG12  ILE  19          HG12      ILE  19   8.995  -6.769   7.769
  131   HG13  ILE  19          HG13      ILE  19   9.623  -7.298   6.197
  132   HG21  ILE  19          HG21      ILE  19  10.306  -7.165   9.767
  133   HG22  ILE  19          HG22      ILE  19   9.608  -8.792   9.754
  134   HG23  ILE  19          HG23      ILE  19  11.362  -8.587   9.896
  135   HD11  ILE  19          HD11      ILE  19   7.876  -8.957   8.014
  136   HD12  ILE  19          HD12      ILE  19   7.403  -8.175   6.487
  137   HD13  ILE  19          HD13      ILE  19   8.590  -9.499   6.469
  138    H    GLY  20           H        GLY  20  12.582  -6.093   5.385
  139    HA2  GLY  20           HA2      GLY  20  13.329  -7.561   3.259
  140    HA3  GLY  20           HA3      GLY  20  11.616  -7.954   3.327
  141    H    THR  21           H        THR  21  12.395  -6.894   1.104
  142    HA   THR  21           HA       THR  21  11.210  -4.141   0.973
  143    HB   THR  21           HB       THR  21  12.875  -3.432  -0.639
  144    HG1  THR  21           HG1      THR  21  13.494  -5.821  -1.165
  145   HG21  THR  21          HG21      THR  21  14.552  -4.492   1.637
  146   HG22  THR  21          HG22      THR  21  14.561  -2.906   0.837
  147   HG23  THR  21          HG23      THR  21  13.269  -3.344   1.980
  148    H    VAL  22           H        VAL  22  10.619  -3.700  -1.348
  149    HA   VAL  22           HA       VAL  22   9.697  -6.197  -2.753
  150    HB   VAL  22           HB       VAL  22   8.247  -3.507  -2.788
  151   HG11  VAL  22          HG11      VAL  22   7.476  -6.233  -3.931
  152   HG12  VAL  22          HG12      VAL  22   6.548  -4.768  -4.051
  153   HG13  VAL  22          HG13      VAL  22   8.064  -4.859  -4.903
  154   HG21  VAL  22          HG21      VAL  22   7.868  -4.589  -0.602
  155   HG22  VAL  22          HG22      VAL  22   6.405  -4.619  -1.590
  156   HG23  VAL  22          HG23      VAL  22   7.379  -6.092  -1.430
  157    H    VAL  23           H        VAL  23  10.446  -6.333  -4.841
  158    HA   VAL  23           HA       VAL  23  11.919  -3.989  -5.901
  159    HB   VAL  23           HB       VAL  23  12.887  -6.155  -6.147
  160   HG11  VAL  23          HG11      VAL  23  12.370  -7.713  -7.904
  161   HG12  VAL  23          HG12      VAL  23  11.266  -7.706  -6.543
  162   HG13  VAL  23          HG13      VAL  23  10.786  -6.942  -8.102
  163   HG21  VAL  23          HG21      VAL  23  13.470  -4.221  -7.612
  164   HG22  VAL  23          HG22      VAL  23  13.713  -5.767  -8.439
  165   HG23  VAL  23          HG23      VAL  23  12.278  -4.787  -8.801
  166    H    ILE  24           H        ILE  24  10.796  -2.389  -6.663
  167    HA   ILE  24           HA       ILE  24   8.499  -2.938  -8.494
  168    HB   ILE  24           HB       ILE  24   9.642  -0.247  -7.685
  169   HG12  ILE  24          HG12      ILE  24   7.181  -1.630  -6.575
  170   HG13  ILE  24          HG13      ILE  24   8.518  -1.258  -5.617
  171   HG21  ILE  24          HG21      ILE  24   6.997  -1.032  -9.030
  172   HG22  ILE  24          HG22      ILE  24   7.633   0.617  -8.815
  173   HG23  ILE  24          HG23      ILE  24   8.418  -0.475  -9.927
  174   HD11  ILE  24          HD11      ILE  24   6.572   0.667  -6.828
  175   HD12  ILE  24          HD12      ILE  24   7.170   0.527  -5.171
  176   HD13  ILE  24          HD13      ILE  24   8.232   1.206  -6.440
  177    H    ASP  25           H        ASP  25   9.047  -3.251 -10.573
  178    HA   ASP  25           HA       ASP  25  11.286  -1.585 -11.638
  179    HB2  ASP  25           HB2      ASP  25  11.974  -3.901 -11.480
  180    HB3  ASP  25           HB3      ASP  25  10.597  -4.406 -12.502
  181    H    GLU  26           H        GLU  26  10.782  -0.256 -13.256
  182    HA   GLU  26           HA       GLU  26   8.069   0.093 -14.109
  183    HB2  GLU  26           HB2      GLU  26   9.874   1.797 -13.467
  184    HB3  GLU  26           HB3      GLU  26  10.756   1.264 -14.924
  185    HG2  GLU  26           HG2      GLU  26   8.584   1.824 -16.067
  186    HG3  GLU  26           HG3      GLU  26   8.239   2.857 -14.693
  187    H    THR  27           H        THR  27   7.192  -0.790 -16.005
  188    HA   THR  27           HA       THR  27   8.986  -1.287 -18.291
  189    HB   THR  27           HB       THR  27   9.263  -3.336 -17.145
  190    HG1  THR  27           HG1      THR  27   8.510  -4.717 -18.719
  191   HG21  THR  27          HG21      THR  27   6.237  -3.599 -16.996
  192   HG22  THR  27          HG22      THR  27   7.397  -4.923 -16.698
  193   HG23  THR  27          HG23      THR  27   7.393  -3.516 -15.644
  194    H    GLU  28           H        GLU  28   7.447  -2.377 -20.044
  195    HA   GLU  28           HA       GLU  28   5.627  -0.291 -20.849
  196    HB2  GLU  28           HB2      GLU  28   6.937  -1.654 -22.394
  197    HB3  GLU  28           HB3      GLU  28   6.061  -3.123 -21.895
  198    HG2  GLU  28           HG2      GLU  28   4.039  -2.375 -22.929
  199    HG3  GLU  28           HG3      GLU  28   4.628  -0.708 -23.051
  200    H    GLY  29           H        GLY  29   5.200  -3.321 -19.121
  201    HA2  GLY  29           HA2      GLY  29   2.272  -2.968 -18.942
  202    HA3  GLY  29           HA3      GLY  29   3.212  -4.324 -18.231
  203    H    GLY  30           H        GLY  30   4.495  -1.296 -17.669
  204    HA2  GLY  30           HA2      GLY  30   4.333   0.378 -16.047
  205    HA3  GLY  30           HA3      GLY  30   2.931  -0.405 -15.371
  206    H    LEU  31           H        LEU  31   3.318  -0.425 -13.339
  207    HA   LEU  31           HA       LEU  31   6.025  -0.880 -12.255
  208    HB2  LEU  31           HB2      LEU  31   3.338  -0.248 -10.962
  209    HB3  LEU  31           HB3      LEU  31   4.861  -0.339 -10.068
  210    HG   LEU  31           HG       LEU  31   4.136   1.629 -12.302
  211   HD11  LEU  31          HD11      LEU  31   4.598   2.111  -9.328
  212   HD12  LEU  31          HD12      LEU  31   4.183   3.338 -10.549
  213   HD13  LEU  31          HD13      LEU  31   3.016   2.074 -10.138
  214   HD21  LEU  31          HD21      LEU  31   6.528   1.242 -12.469
  215   HD22  LEU  31          HD22      LEU  31   6.235   2.825 -11.753
  216   HD23  LEU  31          HD23      LEU  31   6.710   1.465 -10.716
  217    H    LYS  32           H        LYS  32   6.609  -2.984 -12.636
  218    HA   LYS  32           HA       LYS  32   4.995  -5.265 -11.822
  219    HB2  LYS  32           HB2      LYS  32   6.552  -5.227 -13.764
  220    HB3  LYS  32           HB3      LYS  32   7.872  -4.812 -12.667
  221    HG2  LYS  32           HG2      LYS  32   7.275  -7.057 -11.456
  222    HG3  LYS  32           HG3      LYS  32   6.407  -7.453 -12.956
  223    HD2  LYS  32           HD2      LYS  32   8.474  -7.192 -14.261
  224    HD3  LYS  32           HD3      LYS  32   9.285  -6.458 -12.862
  225    HE2  LYS  32           HE2      LYS  32  10.142  -8.539 -12.694
  226    HE3  LYS  32           HE3      LYS  32   8.721  -8.592 -11.605
  227    HZ1  LYS  32           HZ1      LYS  32   8.933  -9.691 -14.385
  228    HZ2  LYS  32           HZ2      LYS  32   8.828 -10.595 -13.052
  229    HZ3  LYS  32           HZ3      LYS  32   7.540  -9.710 -13.514
  230    H    PHE  33           H        PHE  33   4.680  -5.542  -9.744
  231    HA   PHE  33           HA       PHE  33   6.529  -4.658  -7.614
  232    HB2  PHE  33           HB2      PHE  33   3.943  -4.154  -7.975
  233    HB3  PHE  33           HB3      PHE  33   3.710  -5.777  -7.321
  234    HD1  PHE  33           HD1      PHE  33   5.354  -2.542  -6.719
  235    HD2  PHE  33           HD2      PHE  33   3.487  -5.953  -4.921
  236    HE1  PHE  33           HE1      PHE  33   5.674  -1.505  -4.473
  237    HE2  PHE  33           HE2      PHE  33   3.665  -4.863  -2.684
  238    HZ   PHE  33           HZ       PHE  33   4.791  -2.669  -2.447
  239    H    THR  34           H        THR  34   8.074  -6.339  -7.042
  240    HA   THR  34           HA       THR  34   6.846  -9.071  -6.706
  241    HB   THR  34           HB       THR  34   9.722  -8.726  -7.467
  242    HG1  THR  34           HG1      THR  34   8.462  -7.964  -9.110
  243   HG21  THR  34          HG21      THR  34   7.792 -11.075  -7.395
  244   HG22  THR  34          HG22      THR  34   9.418 -11.114  -8.112
  245   HG23  THR  34          HG23      THR  34   9.219 -10.829  -6.376
  246    HA   PRO  35           HA       PRO  35   8.246  -7.929  -2.599
  247    HB2  PRO  35           HB2      PRO  35   6.902  -9.809  -1.150
  248    HB3  PRO  35           HB3      PRO  35   6.066  -8.421  -1.929
  249    HG2  PRO  35           HG2      PRO  35   6.356 -11.262  -2.930
  250    HG3  PRO  35           HG3      PRO  35   4.872 -10.263  -2.889
  251    HD2  PRO  35           HD2      PRO  35   6.424 -10.580  -5.121
  252    HD3  PRO  35           HD3      PRO  35   5.545  -9.056  -4.776
  253    H    HIS  36           H        HIS  36   9.741  -8.669  -1.053
  254    HA   HIS  36           HA       HIS  36  10.324 -11.528  -0.903
  255    HB2  HIS  36           HB2      HIS  36  12.704 -11.360  -1.233
  256    HB3  HIS  36           HB3      HIS  36  11.824 -10.858  -2.684
  257    HD1  HIS  36           HD1      HIS  36  14.704  -9.849  -0.745
  258    HD2  HIS  36           HD2      HIS  36  11.657  -7.987  -2.943
  259    HE1  HIS  36           HE1      HIS  36  15.630  -7.555  -1.397
  260    H    LEU  37           H        LEU  37   8.898 -10.452   0.856
  261    HA   LEU  37           HA       LEU  37  10.606  -9.711   3.193
  262    HB2  LEU  37           HB2      LEU  37   7.599  -9.341   2.905
  263    HB3  LEU  37           HB3      LEU  37   8.661  -8.760   4.196
  264    HG   LEU  37           HG       LEU  37   9.806  -7.606   1.930
  265   HD11  LEU  37          HD11      LEU  37   6.763  -7.487   1.628
  266   HD12  LEU  37          HD12      LEU  37   7.959  -6.533   0.727
  267   HD13  LEU  37          HD13      LEU  37   7.899  -8.286   0.512
  268   HD21  LEU  37          HD21      LEU  37   9.467  -6.529   4.074
  269   HD22  LEU  37          HD22      LEU  37   8.824  -5.515   2.778
  270   HD23  LEU  37          HD23      LEU  37   7.705  -6.449   3.804
  271    H    LYS  38           H        LYS  38  10.660 -10.939   4.950
  272    HA   LYS  38           HA       LYS  38   9.548 -13.651   4.480
  273    HB2  LYS  38           HB2      LYS  38  11.575 -14.501   5.366
  274    HB3  LYS  38           HB3      LYS  38  11.932 -13.238   4.208
  275    HG2  LYS  38           HG2      LYS  38  12.011 -11.715   6.467
  276    HG3  LYS  38           HG3      LYS  38  12.329 -13.307   7.192
  277    HD2  LYS  38           HD2      LYS  38  14.484 -12.469   6.677
  278    HD3  LYS  38           HD3      LYS  38  14.133 -13.589   5.351
  279    HE2  LYS  38           HE2      LYS  38  13.204 -11.481   4.098
  280    HE3  LYS  38           HE3      LYS  38  13.983 -10.540   5.372
  281    HZ1  LYS  38           HZ1      LYS  38  15.168 -12.143   3.239
  282    HZ2  LYS  38           HZ2      LYS  38  15.704 -10.690   3.861
  283    HZ3  LYS  38           HZ3      LYS  38  16.001 -12.101   4.639
  284    H    ALA  39           H        ALA  39   8.088 -11.664   6.146
  285    HA   ALA  39           HA       ALA  39   7.288 -13.456   8.294
  286    HB1  ALA  39           HB1      ALA  39   8.863 -10.942   8.996
  287    HB2  ALA  39           HB2      ALA  39   7.980 -11.950  10.161
  288    HB3  ALA  39           HB3      ALA  39   9.367 -12.614   9.284
  289    H    LEU  40           H        LEU  40   5.409 -12.929   6.723
  290    HA   LEU  40           HA       LEU  40   3.804 -10.770   7.994
  291    HB2  LEU  40           HB2      LEU  40   2.943 -11.370   5.210
  292    HB3  LEU  40           HB3      LEU  40   2.941  -9.917   6.136
  293    HG   LEU  40           HG       LEU  40   5.526  -9.810   5.635
  294   HD11  LEU  40          HD11      LEU  40   4.603 -11.927   3.639
  295   HD12  LEU  40          HD12      LEU  40   6.049 -10.930   3.409
  296   HD13  LEU  40          HD13      LEU  40   5.962 -12.034   4.771
  297   HD21  LEU  40          HD21      LEU  40   3.817  -8.320   4.613
  298   HD22  LEU  40          HD22      LEU  40   5.071  -8.755   3.446
  299   HD23  LEU  40          HD23      LEU  40   3.484  -9.551   3.376
  300    HA   PRO  41           HA       PRO  41   0.778 -13.869   8.519
  301    HB2  PRO  41           HB2      PRO  41  -1.656 -12.584   8.094
  302    HB3  PRO  41           HB3      PRO  41  -0.677 -12.443   9.577
  303    HG2  PRO  41           HG2      PRO  41  -0.713 -10.616   7.208
  304    HG3  PRO  41           HG3      PRO  41  -0.833 -10.181   8.944
  305    HD2  PRO  41           HD2      PRO  41   1.535 -10.012   7.729
  306    HD3  PRO  41           HD3      PRO  41   1.378 -10.805   9.338
  307    HA   PRO  42           HA       PRO  42   1.007 -15.214   4.411
  308    HB2  PRO  42           HB2      PRO  42   0.675 -17.843   4.719
  309    HB3  PRO  42           HB3      PRO  42   1.768 -16.952   5.799
  310    HG2  PRO  42           HG2      PRO  42  -1.153 -17.566   6.361
  311    HG3  PRO  42           HG3      PRO  42   0.265 -18.094   7.324
  312    HD2  PRO  42           HD2      PRO  42  -1.022 -15.746   7.891
  313    HD3  PRO  42           HD3      PRO  42   0.764 -15.902   8.019
  314    H    GLY  43           H        GLY  43  -1.341 -13.849   4.595
  315    HA2  GLY  43           HA2      GLY  43  -3.569 -15.454   3.431
  316    HA3  GLY  43           HA3      GLY  43  -3.697 -13.869   4.212
  317    H    GLU  44           H        GLU  44  -4.529 -12.658   2.785
  318    HA   GLU  44           HA       GLU  44  -2.993 -11.910   0.424
  319    HB2  GLU  44           HB2      GLU  44  -4.824 -11.825  -1.061
  320    HB3  GLU  44           HB3      GLU  44  -4.730 -13.461  -0.491
  321    HG2  GLU  44           HG2      GLU  44  -6.589 -12.863   1.178
  322    HG3  GLU  44           HG3      GLU  44  -6.696 -11.316   0.298
  323    H    HIS  45           H        HIS  45  -2.823  -9.808   0.190
  324    HA   HIS  45           HA       HIS  45  -4.327  -7.994   2.059
  325    HB2  HIS  45           HB2      HIS  45  -1.380  -8.467   1.434
  326    HB3  HIS  45           HB3      HIS  45  -1.898  -7.016   2.271
  327    HD1  HIS  45           HD1      HIS  45  -3.895  -8.227   4.424
  328    HD2  HIS  45           HD2      HIS  45  -0.625 -10.334   2.898
  329    HE1  HIS  45           HE1      HIS  45  -3.452 -10.154   6.062
  330    HE2  HIS  45           HE2      HIS  45  -1.399 -11.432   5.135
  331    H    GLY  46           H        GLY  46  -5.321  -6.389   0.900
  332    HA2  GLY  46           HA2      GLY  46  -4.809  -5.529  -1.668
  333    HA3  GLY  46           HA3      GLY  46  -5.464  -4.475  -0.399
  334    H    PHE  47           H        PHE  47  -3.115  -4.329  -2.630
  335    HA   PHE  47           HA       PHE  47  -1.131  -2.946  -0.843
  336    HB2  PHE  47           HB2      PHE  47   0.257  -4.370  -1.896
  337    HB3  PHE  47           HB3      PHE  47  -0.914  -4.773  -3.153
  338    HD1  PHE  47           HD1      PHE  47   1.564  -2.144  -2.176
  339    HD2  PHE  47           HD2      PHE  47  -0.534  -4.160  -5.336
  340    HE1  PHE  47           HE1      PHE  47   3.001  -0.972  -3.918
  341    HE2  PHE  47           HE2      PHE  47   0.898  -2.980  -7.044
  342    HZ   PHE  47           HZ       PHE  47   2.533  -1.314  -6.308
  343    H    HIS  48           H        HIS  48  -1.391  -0.724  -0.883
  344    HA   HIS  48           HA       HIS  48  -2.410   0.468  -3.483
  345    HB2  HIS  48           HB2      HIS  48  -2.658   1.801  -0.749
  346    HB3  HIS  48           HB3      HIS  48  -3.526   2.208  -2.218
  347    HD2  HIS  48           HD2      HIS  48  -4.608  -0.879  -2.712
  348    HE1  HIS  48           HE1      HIS  48  -6.634  -0.295   0.970
  349    HE2  HIS  48           HE2      HIS  48  -6.479  -1.717  -1.173
  350    H    ILE  49           H        ILE  49  -1.980   2.767  -3.779
  351    HA   ILE  49           HA       ILE  49   0.539   3.832  -2.525
  352    HB   ILE  49           HB       ILE  49  -0.732   4.542  -5.195
  353   HG12  ILE  49          HG12      ILE  49   2.135   3.617  -4.762
  354   HG13  ILE  49          HG13      ILE  49   0.835   2.425  -4.936
  355   HG21  ILE  49          HG21      ILE  49   1.667   5.809  -3.778
  356   HG22  ILE  49          HG22      ILE  49   1.169   6.160  -5.445
  357   HG23  ILE  49          HG23      ILE  49   0.111   6.592  -4.107
  358   HD11  ILE  49          HD11      ILE  49   1.497   4.556  -7.004
  359   HD12  ILE  49          HD12      ILE  49   1.914   2.835  -7.088
  360   HD13  ILE  49          HD13      ILE  49   0.213   3.337  -7.126
  361    H    HIS  50           H        HIS  50   0.366   5.647  -1.377
  362    HA   HIS  50           HA       HIS  50  -2.312   6.938  -1.015
  363    HB2  HIS  50           HB2      HIS  50  -0.134   6.143   0.906
  364    HB3  HIS  50           HB3      HIS  50  -1.098   7.570   1.262
  365    HD1  HIS  50           HD1      HIS  50  -3.119   7.094   2.646
  366    HD2  HIS  50           HD2      HIS  50  -2.089   3.941   0.096
  367    HE1  HIS  50           HE1      HIS  50  -4.890   5.253   3.054
  368    H    ALA  51           H        ALA  51  -1.971   9.218   0.070
  369    HA   ALA  51           HA       ALA  51  -1.276  10.723  -2.224
  370    HB1  ALA  51           HB1      ALA  51  -2.113  11.649   0.560
  371    HB2  ALA  51           HB2      ALA  51  -2.193  12.613  -0.926
  372    HB3  ALA  51           HB3      ALA  51  -3.218  11.179  -0.750
  373    H    ASN  52           H        ASN  52   0.365  10.635   0.910
  374    HA   ASN  52           HA       ASN  52   2.609  12.251  -0.266
  375    HB2  ASN  52           HB2      ASN  52   1.522  12.284   2.577
  376    HB3  ASN  52           HB3      ASN  52   3.013  13.083   2.065
  377   HD21  ASN  52          HD21      ASN  52  -0.313  13.618   2.497
  378   HD22  ASN  52          HD22      ASN  52  -0.501  14.931   1.353
  379    H    GLY  53           H        GLY  53   4.503  11.800   1.771
  380    HA2  GLY  53           HA2      GLY  53   4.992   8.846   1.702
  381    HA3  GLY  53           HA3      GLY  53   6.115   9.937   0.905
  382    H    SER  54           H        SER  54   4.757   9.067   4.047
  383    HA   SER  54           HA       SER  54   7.250   8.956   5.400
  384    HB2  SER  54           HB2      SER  54   5.729  11.529   5.746
  385    HB3  SER  54           HB3      SER  54   6.674  10.852   7.083
  386    HG   SER  54           HG       SER  54   7.708  11.316   4.487
  387    H    CYS  55           H        CYS  55   6.452   6.982   6.096
  388    HA   CYS  55           HA       CYS  55   3.957   6.378   7.001
  389    HB2  CYS  55           HB2      CYS  55   6.602   5.012   7.535
  390    HB3  CYS  55           HB3      CYS  55   5.020   4.255   7.575
  391    H    GLN  56           H        GLN  56   4.600   8.605   8.705
  392    HA   GLN  56           HA       GLN  56   4.885   7.392  11.426
  393    HB2  GLN  56           HB2      GLN  56   5.831  10.037  10.290
  394    HB3  GLN  56           HB3      GLN  56   5.674   9.783  12.028
  395    HG2  GLN  56           HG2      GLN  56   7.353   7.928  10.279
  396    HG3  GLN  56           HG3      GLN  56   7.989   9.399  11.011
  397   HE21  GLN  56          HE21      GLN  56   8.666   9.325  13.194
  398   HE22  GLN  56          HE22      GLN  56   8.250   8.010  14.271
  399    HA   PRO  57           HA       PRO  57   0.852   9.303  12.095
  400    HB2  PRO  57           HB2      PRO  57   0.297   8.344  14.590
  401    HB3  PRO  57           HB3      PRO  57   0.333   7.269  13.169
  402    HG2  PRO  57           HG2      PRO  57   2.535   7.747  15.196
  403    HG3  PRO  57           HG3      PRO  57   1.929   6.184  14.556
  404    HD2  PRO  57           HD2      PRO  57   4.158   7.429  13.553
  405    HD3  PRO  57           HD3      PRO  57   3.049   6.453  12.530
  406    H    ALA  58           H        ALA  58  -0.100  10.936  13.291
  407    HA   ALA  58           HA       ALA  58   1.471  12.331  15.405
  408    HB1  ALA  58           HB1      ALA  58  -1.124  13.076  13.966
  409    HB2  ALA  58           HB2      ALA  58  -0.319  14.043  15.219
  410    HB3  ALA  58           HB3      ALA  58   0.475  13.779  13.655
  411    H    ILE  59           H        ILE  59   0.804  12.166  17.539
  412    HA   ILE  59           HA       ILE  59  -1.518  10.410  18.198
  413    HB   ILE  59           HB       ILE  59   0.375  11.769  20.138
  414   HG12  ILE  59          HG12      ILE  59   1.769  10.267  18.856
  415   HG13  ILE  59          HG13      ILE  59   1.477   9.589  20.443
  416   HG21  ILE  59          HG21      ILE  59  -1.694   9.546  20.426
  417   HG22  ILE  59          HG22      ILE  59  -0.543  10.011  21.683
  418   HG23  ILE  59          HG23      ILE  59  -1.755  11.172  21.131
  419   HD11  ILE  59          HD11      ILE  59   0.120   8.711  17.853
  420   HD12  ILE  59          HD12      ILE  59   1.404   7.856  18.719
  421   HD13  ILE  59          HD13      ILE  59  -0.193   8.017  19.466
  422    H    LYS  60           H        LYS  60  -3.431  11.257  18.396
  423    HA   LYS  60           HA       LYS  60  -4.051  14.102  18.689
  424    HB2  LYS  60           HB2      LYS  60  -2.701  14.144  16.707
  425    HB3  LYS  60           HB3      LYS  60  -3.506  12.744  16.027
  426    HG2  LYS  60           HG2      LYS  60  -5.476  14.028  15.496
  427    HG3  LYS  60           HG3      LYS  60  -4.877  15.435  16.410
  428    HD2  LYS  60           HD2      LYS  60  -3.019  15.745  14.875
  429    HD3  LYS  60           HD3      LYS  60  -3.358  14.217  14.051
  430    HE2  LYS  60           HE2      LYS  60  -5.435  15.066  13.151
  431    HE3  LYS  60           HE3      LYS  60  -5.264  16.595  14.037
  432    HZ1  LYS  60           HZ1      LYS  60  -3.211  15.676  12.099
  433    HZ2  LYS  60           HZ2      LYS  60  -4.520  16.487  11.603
  434    HZ3  LYS  60           HZ3      LYS  60  -3.475  17.224  12.637
  435    H    ASP  61           H        ASP  61  -6.256  14.402  18.828
  436    HA   ASP  61           HA       ASP  61  -8.307  13.839  19.557
  437    HB2  ASP  61           HB2      ASP  61  -8.516  13.769  17.041
  438    HB3  ASP  61           HB3      ASP  61  -8.491  12.004  17.150
  439    H    GLY  62           H        GLY  62  -6.474  12.431  21.037
  440    HA2  GLY  62           HA2      GLY  62  -6.532  10.848  22.734
  441    HA3  GLY  62           HA3      GLY  62  -8.170  10.403  22.196
  442    H    GLN  63           H        GLN  63  -5.903  10.102  19.658
  443    HA   GLN  63           HA       GLN  63  -5.188   7.299  20.167
  444    HB2  GLN  63           HB2      GLN  63  -6.471   6.435  18.285
  445    HB3  GLN  63           HB3      GLN  63  -7.530   7.192  19.458
  446    HG2  GLN  63           HG2      GLN  63  -7.322   9.321  17.876
  447    HG3  GLN  63           HG3      GLN  63  -6.813   8.140  16.675
  448   HE21  GLN  63          HE21      GLN  63  -9.518   9.586  18.294
  449   HE22  GLN  63          HE22      GLN  63 -10.725   8.493  17.624
  450    H    ALA  64           H        ALA  64  -4.551   6.676  17.439
  451    HA   ALA  64           HA       ALA  64  -2.371   8.664  16.916
  452    HB1  ALA  64           HB1      ALA  64  -2.287   5.633  16.679
  453    HB2  ALA  64           HB2      ALA  64  -0.962   6.765  16.318
  454    HB3  ALA  64           HB3      ALA  64  -1.544   6.583  17.983
  455    H    VAL  65           H        VAL  65  -2.548   9.597  14.980
  456    HA   VAL  65           HA       VAL  65  -4.382   8.515  12.959
  457    HB   VAL  65           HB       VAL  65  -2.600  10.975  12.773
  458   HG11  VAL  65          HG11      VAL  65  -5.001  10.034  11.104
  459   HG12  VAL  65          HG12      VAL  65  -4.244  11.631  10.969
  460   HG13  VAL  65          HG13      VAL  65  -3.333  10.189  10.523
  461   HG21  VAL  65          HG21      VAL  65  -4.251  11.157  14.621
  462   HG22  VAL  65          HG22      VAL  65  -4.675  12.232  13.283
  463   HG23  VAL  65          HG23      VAL  65  -5.556  10.707  13.510
  464    H    ALA  66           H        ALA  66  -3.307   6.556  12.790
  465    HA   ALA  66           HA       ALA  66  -1.616   5.054  12.099
  466    HB1  ALA  66           HB1      ALA  66  -3.215   5.994   9.689
  467    HB2  ALA  66           HB2      ALA  66  -2.392   4.423   9.844
  468    HB3  ALA  66           HB3      ALA  66  -3.736   4.833  10.925
  469    H    ALA  67           H        ALA  67  -1.478   7.463   9.473
  470    HA   ALA  67           HA       ALA  67   1.350   7.872   9.794
  471    HB1  ALA  67           HB1      ALA  67   0.405   6.382   7.310
  472    HB2  ALA  67           HB2      ALA  67   1.997   7.137   7.518
  473    HB3  ALA  67           HB3      ALA  67   1.528   5.783   8.559
  474    H    GLU  68           H        GLU  68   0.226   9.939  10.210
  475    HA   GLU  68           HA       GLU  68  -1.495  11.206   8.366
  476    HB2  GLU  68           HB2      GLU  68  -1.355  11.830  10.715
  477    HB3  GLU  68           HB3      GLU  68   0.279  12.466  10.504
  478    HG2  GLU  68           HG2      GLU  68  -0.472  14.326   9.243
  479    HG3  GLU  68           HG3      GLU  68  -1.994  13.542   8.815
  480    H    ALA  69           H        ALA  69   2.080  11.368   8.550
  481    HA   ALA  69           HA       ALA  69   2.217  13.315   6.371
  482    HB1  ALA  69           HB1      ALA  69   4.389  11.743   7.808
  483    HB2  ALA  69           HB2      ALA  69   4.617  13.155   6.740
  484    HB3  ALA  69           HB3      ALA  69   3.771  13.340   8.279
  485    H    ALA  70           H        ALA  70   1.600  10.005   6.289
  486    HA   ALA  70           HA       ALA  70   2.628   9.761   3.493
  487    HB1  ALA  70           HB1      ALA  70   1.329   7.669   5.270
  488    HB2  ALA  70           HB2      ALA  70   2.072   7.416   3.677
  489    HB3  ALA  70           HB3      ALA  70   3.083   7.860   5.060
  490    H    GLY  71           H        GLY  71  -0.272  10.368   5.337
  491    HA2  GLY  71           HA2      GLY  71  -2.033  11.584   4.512
  492    HA3  GLY  71           HA3      GLY  71  -1.425  11.363   2.874
  493    H    GLY  72           H        GLY  72  -3.863  11.487   2.818
  494    HA2  GLY  72           HA2      GLY  72  -5.426   9.084   3.326
  495    HA3  GLY  72           HA3      GLY  72  -5.911  10.508   2.387
  496    H    HIS  73           H        HIS  73  -6.947   8.881   1.049
  497    HA   HIS  73           HA       HIS  73  -5.428   7.121  -0.700
  498    HB2  HIS  73           HB2      HIS  73  -8.185   8.366  -0.995
  499    HB3  HIS  73           HB3      HIS  73  -7.506   7.161  -2.062
  500    HD2  HIS  73           HD2      HIS  73  -8.117   7.330   1.777
  501    HE1  HIS  73           HE1      HIS  73  -9.968   3.773   0.441
  502    HE2  HIS  73           HE2      HIS  73  -9.527   5.323   2.441
  503    H    LEU  74           H        LEU  74  -4.755   7.595  -2.865
  504    HA   LEU  74           HA       LEU  74  -3.785  10.324  -3.213
  505    HB2  LEU  74           HB2      LEU  74  -2.304   8.488  -3.674
  506    HB3  LEU  74           HB3      LEU  74  -3.426   7.768  -4.811
  507    HG   LEU  74           HG       LEU  74  -3.094   9.633  -6.393
  508   HD11  LEU  74          HD11      LEU  74  -1.037  10.678  -4.400
  509   HD12  LEU  74          HD12      LEU  74  -1.305  11.287  -6.043
  510   HD13  LEU  74          HD13      LEU  74  -2.568  11.479  -4.821
  511   HD21  LEU  74          HD21      LEU  74  -1.676   7.612  -6.481
  512   HD22  LEU  74          HD22      LEU  74  -0.804   9.057  -7.027
  513   HD23  LEU  74          HD23      LEU  74  -0.501   8.394  -5.408
  514    H    ASP  75           H        ASP  75  -5.690  11.460  -3.332
  515    HA   ASP  75           HA       ASP  75  -6.801  11.826  -6.023
  516    HB2  ASP  75           HB2      ASP  75  -9.164  11.666  -4.916
  517    HB3  ASP  75           HB3      ASP  75  -8.319  10.262  -5.555
  518    HA   PRO  76           HA       PRO  76  -7.085  15.939  -4.043
  519    HB2  PRO  76           HB2      PRO  76  -6.713  17.470  -6.264
  520    HB3  PRO  76           HB3      PRO  76  -5.369  16.691  -5.380
  521    HG2  PRO  76           HG2      PRO  76  -6.700  15.761  -7.930
  522    HG3  PRO  76           HG3      PRO  76  -4.963  15.783  -7.518
  523    HD2  PRO  76           HD2      PRO  76  -6.606  13.552  -7.312
  524    HD3  PRO  76           HD3      PRO  76  -5.134  13.793  -6.323
  525    H    GLN  77           H        GLN  77  -8.535  15.210  -7.289
  526    HA   GLN  77           HA       GLN  77 -11.207  15.782  -6.150
  527    HB2  GLN  77           HB2      GLN  77 -11.986  16.750  -8.169
  528    HB3  GLN  77           HB3      GLN  77 -10.676  17.708  -7.526
  529    HG2  GLN  77           HG2      GLN  77 -10.369  15.769  -9.881
  530    HG3  GLN  77           HG3      GLN  77 -10.834  17.435 -10.049
  531   HE21  GLN  77          HE21      GLN  77  -8.564  16.448 -11.363
  532   HE22  GLN  77          HE22      GLN  77  -7.185  17.301 -10.699
  533    H    ASN  78           H        ASN  78 -12.497  14.181  -6.301
  534    HA   ASN  78           HA       ASN  78 -13.503  12.740  -8.149
  535    HB2  ASN  78           HB2      ASN  78 -12.628  10.484  -8.347
  536    HB3  ASN  78           HB3      ASN  78 -11.644  11.701  -9.101
  537   HD21  ASN  78          HD21      ASN  78  -9.494  11.985  -8.367
  538   HD22  ASN  78          HD22      ASN  78  -8.758  10.832  -7.236
  539    H    THR  79           H        THR  79 -12.429  10.399  -5.771
  540    HA   THR  79           HA       THR  79 -14.758  10.848  -4.010
  541    HB   THR  79           HB       THR  79 -15.773   9.896  -5.989
  542    HG1  THR  79           HG1      THR  79 -16.720   8.157  -4.962
  543   HG21  THR  79          HG21      THR  79 -14.101   7.394  -5.565
  544   HG22  THR  79          HG22      THR  79 -15.289   7.714  -6.844
  545   HG23  THR  79          HG23      THR  79 -13.759   8.582  -6.842
  546    H    GLY  80           H        GLY  80 -12.064   8.634  -4.931
  547    HA2  GLY  80           HA2      GLY  80 -10.338   8.030  -3.499
  548    HA3  GLY  80           HA3      GLY  80 -11.234   8.656  -2.128
  549    H    LYS  81           H        LYS  81 -13.540   7.256  -2.217
  550    HA   LYS  81           HA       LYS  81 -12.777   5.719  -0.211
  551    HB2  LYS  81           HB2      LYS  81 -15.011   4.904   0.077
  552    HB3  LYS  81           HB3      LYS  81 -14.980   6.594  -0.413
  553    HG2  LYS  81           HG2      LYS  81 -15.567   5.870  -2.759
  554    HG3  LYS  81           HG3      LYS  81 -15.781   4.222  -2.145
  555    HD2  LYS  81           HD2      LYS  81 -17.343   6.709  -1.318
  556    HD3  LYS  81           HD3      LYS  81 -17.929   5.401  -2.347
  557    HE2  LYS  81           HE2      LYS  81 -17.738   3.805  -0.436
  558    HE3  LYS  81           HE3      LYS  81 -17.134   5.118   0.584
  559    HZ1  LYS  81           HZ1      LYS  81 -19.881   4.866  -0.507
  560    HZ2  LYS  81           HZ2      LYS  81 -19.416   4.869   1.035
  561    HZ3  LYS  81           HZ3      LYS  81 -19.304   6.264   0.161
  562    H    HIS  82           H        HIS  82 -13.696   4.005  -3.213
  563    HA   HIS  82           HA       HIS  82 -11.514   2.832  -3.778
  564    HB2  HIS  82           HB2      HIS  82 -12.261   1.271  -1.404
  565    HB3  HIS  82           HB3      HIS  82 -12.124   0.295  -2.806
  566    HD2  HIS  82           HD2      HIS  82 -10.054  -0.927  -2.571
  567    HE1  HIS  82           HE1      HIS  82  -7.168   2.133  -2.389
  568    HE2  HIS  82           HE2      HIS  82  -7.590  -0.308  -2.786
  569    H    GLU  83           H        GLU  83 -11.576   1.682  -5.642
  570    HA   GLU  83           HA       GLU  83 -14.025   1.978  -6.983
  571    HB2  GLU  83           HB2      GLU  83 -12.828   1.248  -8.993
  572    HB3  GLU  83           HB3      GLU  83 -11.991   2.486  -8.084
  573    HG2  GLU  83           HG2      GLU  83 -10.480   0.637  -7.169
  574    HG3  GLU  83           HG3      GLU  83 -11.267  -0.462  -8.308
  575    H    GLY  84           H        GLY  84 -12.242  -1.102  -6.592
  576    HA2  GLY  84           HA2      GLY  84 -12.912  -3.294  -6.751
  577    HA3  GLY  84           HA3      GLY  84 -14.151  -2.741  -5.652
  578    HA   PRO  85           HA       PRO  85 -16.754  -4.479  -8.760
  579    HB2  PRO  85           HB2      PRO  85 -19.234  -3.968  -7.786
  580    HB3  PRO  85           HB3      PRO  85 -18.087  -5.078  -6.984
  581    HG2  PRO  85           HG2      PRO  85 -18.586  -2.153  -6.323
  582    HG3  PRO  85           HG3      PRO  85 -18.570  -3.553  -5.201
  583    HD2  PRO  85           HD2      PRO  85 -16.368  -1.982  -5.562
  584    HD3  PRO  85           HD3      PRO  85 -16.224  -3.749  -5.323
  585    H    GLU  86           H        GLU  86 -17.180  -0.979  -8.009
  586    HA   GLU  86           HA       GLU  86 -18.551  -0.615 -10.651
  587    HB2  GLU  86           HB2      GLU  86 -19.547   0.287  -7.923
  588    HB3  GLU  86           HB3      GLU  86 -20.207   0.854  -9.462
  589    HG2  GLU  86           HG2      GLU  86 -20.748  -1.496 -10.095
  590    HG3  GLU  86           HG3      GLU  86 -20.200  -2.029  -8.503
  591    H    GLY  87           H        GLY  87 -15.904   0.501  -8.959
  592    HA2  GLY  87           HA2      GLY  87 -14.465   1.990 -10.101
  593    HA3  GLY  87           HA3      GLY  87 -15.845   2.756 -10.884
  594    H    GLN  88           H        GLN  88 -16.589   2.747  -7.650
  595    HA   GLN  88           HA       GLN  88 -15.987   5.601  -7.360
  596    HB2  GLN  88           HB2      GLN  88 -17.491   3.526  -5.741
  597    HB3  GLN  88           HB3      GLN  88 -17.151   5.106  -5.053
  598    HG2  GLN  88           HG2      GLN  88 -18.576   4.770  -7.730
  599    HG3  GLN  88           HG3      GLN  88 -19.416   4.862  -6.185
  600   HE21  GLN  88          HE21      GLN  88 -20.006   6.861  -8.153
  601   HE22  GLN  88          HE22      GLN  88 -19.293   8.341  -7.556
  602    H    GLY  89           H        GLY  89 -13.568   5.036  -7.614
  603    HA2  GLY  89           HA2      GLY  89 -12.305   4.661  -4.908
  604    HA3  GLY  89           HA3      GLY  89 -11.773   3.795  -6.349
  605    H    HIS  90           H        HIS  90  -9.722   4.432  -6.335
  606    HA   HIS  90           HA       HIS  90  -9.175   7.155  -7.264
  607    HB2  HIS  90           HB2      HIS  90  -7.758   7.830  -5.607
  608    HB3  HIS  90           HB3      HIS  90  -9.052   7.092  -4.712
  609    HD2  HIS  90           HD2      HIS  90  -5.388   7.012  -5.249
  610    HE1  HIS  90           HE1      HIS  90  -6.051   4.121  -2.226
  611    HE2  HIS  90           HE2      HIS  90  -4.275   5.444  -3.479
  612    H    LEU  91           H        LEU  91  -7.042   7.396  -8.230
  613    HA   LEU  91           HA       LEU  91  -6.440   5.217  -9.897
  614    HB2  LEU  91           HB2      LEU  91  -4.770   6.616 -10.872
  615    HB3  LEU  91           HB3      LEU  91  -6.149   7.592 -10.425
  616    HG   LEU  91           HG       LEU  91  -4.665   8.027  -8.196
  617   HD11  LEU  91          HD11      LEU  91  -2.599   7.475 -10.386
  618   HD12  LEU  91          HD12      LEU  91  -2.268   8.302  -8.857
  619   HD13  LEU  91          HD13      LEU  91  -2.747   6.602  -8.849
  620   HD21  LEU  91          HD21      LEU  91  -5.530   9.764  -9.707
  621   HD22  LEU  91          HD22      LEU  91  -3.849  10.092  -9.264
  622   HD23  LEU  91          HD23      LEU  91  -4.226   9.425 -10.869
  623    H    GLY  92           H        GLY  92  -5.160   5.802  -6.783
  624    HA2  GLY  92           HA2      GLY  92  -2.926   3.862  -7.045
  625    HA3  GLY  92           HA3      GLY  92  -3.236   4.950  -5.671
  626    H    ASP  93           H        ASP  93  -6.200   3.519  -6.451
  627    HA   ASP  93           HA       ASP  93  -6.056   1.227  -4.649
  628    HB2  ASP  93           HB2      ASP  93  -7.961   1.774  -6.964
  629    HB3  ASP  93           HB3      ASP  93  -8.178   0.608  -5.678
  630    H    LEU  94           H        LEU  94  -5.731  -0.991  -5.453
  631    HA   LEU  94           HA       LEU  94  -4.199  -1.292  -7.989
  632    HB2  LEU  94           HB2      LEU  94  -3.157  -0.375  -5.408
  633    HB3  LEU  94           HB3      LEU  94  -2.415  -1.895  -5.837
  634    HG   LEU  94           HG       LEU  94  -1.203  -1.081  -7.501
  635   HD11  LEU  94          HD11      LEU  94  -2.744   1.528  -7.684
  636   HD12  LEU  94          HD12      LEU  94  -1.327   1.073  -8.637
  637   HD13  LEU  94          HD13      LEU  94  -2.844   0.201  -8.872
  638   HD21  LEU  94          HD21      LEU  94  -0.561  -0.267  -5.261
  639   HD22  LEU  94          HD22      LEU  94   0.051   0.725  -6.594
  640   HD23  LEU  94          HD23      LEU  94  -1.343   1.282  -5.645
  641    HA   PRO  95           HA       PRO  95  -5.065  -5.582  -7.177
  642    HB2  PRO  95           HB2      PRO  95  -2.881  -7.121  -7.701
  643    HB3  PRO  95           HB3      PRO  95  -3.674  -6.116  -8.953
  644    HG2  PRO  95           HG2      PRO  95  -1.231  -5.438  -7.290
  645    HG3  PRO  95           HG3      PRO  95  -1.426  -5.306  -9.067
  646    HD2  PRO  95           HD2      PRO  95  -1.756  -3.200  -7.381
  647    HD3  PRO  95           HD3      PRO  95  -2.738  -3.360  -8.866
  648    H    VAL  96           H        VAL  96  -4.647  -7.652  -5.931
  649    HA   VAL  96           HA       VAL  96  -3.963  -7.014  -3.147
  650    HB   VAL  96           HB       VAL  96  -4.824  -9.738  -4.140
  651   HG11  VAL  96          HG11      VAL  96  -5.112  -8.348  -1.470
  652   HG12  VAL  96          HG12      VAL  96  -5.702  -9.964  -1.856
  653   HG13  VAL  96          HG13      VAL  96  -3.958  -9.653  -1.854
  654   HG21  VAL  96          HG21      VAL  96  -6.598  -8.232  -4.903
  655   HG22  VAL  96          HG22      VAL  96  -7.128  -9.189  -3.504
  656   HG23  VAL  96          HG23      VAL  96  -6.662  -7.485  -3.287
  657    H    LEU  97           H        LEU  97  -2.102  -7.447  -2.205
  658    HA   LEU  97           HA       LEU  97   0.067  -9.074  -3.303
  659    HB2  LEU  97           HB2      LEU  97   0.210  -6.878  -1.995
  660    HB3  LEU  97           HB3      LEU  97  -0.333  -7.738  -0.591
  661    HG   LEU  97           HG       LEU  97   1.706  -8.092  -0.001
  662   HD11  LEU  97          HD11      LEU  97   2.212  -9.671  -2.563
  663   HD12  LEU  97          HD12      LEU  97   3.264  -9.626  -1.139
  664   HD13  LEU  97          HD13      LEU  97   1.658 -10.328  -1.004
  665   HD21  LEU  97          HD21      LEU  97   2.259  -6.110  -1.207
  666   HD22  LEU  97          HD22      LEU  97   3.624  -7.236  -1.216
  667   HD23  LEU  97          HD23      LEU  97   2.620  -7.053  -2.676
  668    H    VAL  98           H        VAL  98  -1.196 -11.015  -3.528
  669    HA   VAL  98           HA       VAL  98  -2.194 -12.575  -1.294
  670    HB   VAL  98           HB       VAL  98  -1.121 -13.481  -4.000
  671   HG11  VAL  98          HG11      VAL  98  -2.759 -14.982  -1.895
  672   HG12  VAL  98          HG12      VAL  98  -2.465 -15.557  -3.550
  673   HG13  VAL  98          HG13      VAL  98  -1.110 -15.378  -2.436
  674   HG21  VAL  98          HG21      VAL  98  -3.086 -12.009  -4.242
  675   HG22  VAL  98          HG22      VAL  98  -3.515 -13.677  -4.621
  676   HG23  VAL  98          HG23      VAL  98  -3.983 -12.983  -3.055
  677    H    VAL  99           H        VAL  99  -0.990 -14.092   0.005
  678    HA   VAL  99           HA       VAL  99   2.007 -13.884  -0.122
  679    HB   VAL  99           HB       VAL  99   0.278 -14.131   2.371
  680   HG11  VAL  99          HG11      VAL  99   3.167 -13.269   2.056
  681   HG12  VAL  99          HG12      VAL  99   2.246 -13.298   3.571
  682   HG13  VAL  99          HG13      VAL  99   2.613 -14.822   2.732
  683   HG21  VAL  99          HG21      VAL  99  -0.279 -11.975   1.472
  684   HG22  VAL  99          HG22      VAL  99   0.818 -11.779   2.844
  685   HG23  VAL  99          HG23      VAL  99   1.442 -11.591   1.185
  686    H    ASN 100           H        ASN 100   3.103 -15.834  -0.026
  687    HA   ASN 100           HA       ASN 100   1.796 -18.317  -0.109
  688    HB2  ASN 100           HB2      ASN 100   3.820 -18.871  -0.797
  689    HB3  ASN 100           HB3      ASN 100   4.486 -17.360  -0.234
  690   HD21  ASN 100          HD21      ASN 100   5.892 -17.399   1.461
  691   HD22  ASN 100          HD22      ASN 100   6.281 -18.871   2.387
  692    H    ASN 101           H        ASN 101   1.315 -19.901   1.271
  693    HA   ASN 101           HA       ASN 101   0.188 -19.503   3.665
  694    HB2  ASN 101           HB2      ASN 101  -0.232 -21.738   3.735
  695    HB3  ASN 101           HB3      ASN 101   0.106 -21.484   2.023
  696   HD21  ASN 101          HD21      ASN 101   2.957 -21.481   1.964
  697   HD22  ASN 101          HD22      ASN 101   3.557 -22.856   2.832
  698    H    ASP 102           H        ASP 102   3.656 -19.819   3.446
  699    HA   ASP 102           HA       ASP 102   4.013 -20.650   6.267
  700    HB2  ASP 102           HB2      ASP 102   5.334 -21.586   4.292
  701    HB3  ASP 102           HB3      ASP 102   6.156 -20.025   4.205
  702    H    GLY 103           H        GLY 103   3.707 -17.689   4.587
  703    HA2  GLY 103           HA2      GLY 103   3.593 -15.608   5.642
  704    HA3  GLY 103           HA3      GLY 103   4.625 -16.175   6.975
  705    H    ILE 104           H        ILE 104   5.598 -16.621   3.655
  706    HA   ILE 104           HA       ILE 104   7.394 -14.220   3.740
  707    HB   ILE 104           HB       ILE 104   7.954 -16.894   2.345
  708   HG12  ILE 104          HG12      ILE 104  10.118 -16.608   3.927
  709   HG13  ILE 104          HG13      ILE 104   8.957 -15.778   4.958
  710   HG21  ILE 104          HG21      ILE 104   9.642 -14.363   2.433
  711   HG22  ILE 104          HG22      ILE 104  10.121 -15.917   1.729
  712   HG23  ILE 104          HG23      ILE 104   8.784 -15.015   1.025
  713   HD11  ILE 104          HD11      ILE 104   8.674 -18.622   3.881
  714   HD12  ILE 104          HD12      ILE 104   9.205 -18.173   5.510
  715   HD13  ILE 104          HD13      ILE 104   7.546 -17.827   5.004
  716    H    ALA 105           H        ALA 105   6.913 -12.791   2.164
  717    HA   ALA 105           HA       ALA 105   4.934 -13.561   0.070
  718    HB1  ALA 105           HB1      ALA 105   6.122 -10.854   0.863
  719    HB2  ALA 105           HB2      ALA 105   4.888 -11.139  -0.388
  720    HB3  ALA 105           HB3      ALA 105   4.497 -11.474   1.300
  721    H    THR 106           H        THR 106   5.562 -14.145  -1.812
  722    HA   THR 106           HA       THR 106   8.088 -13.198  -3.109
  723    HB   THR 106           HB       THR 106   8.483 -15.298  -1.928
  724    HG1  THR 106           HG1      THR 106   9.498 -16.237  -3.577
  725   HG21  THR 106          HG21      THR 106   6.420 -16.518  -3.816
  726   HG22  THR 106          HG22      THR 106   7.534 -17.425  -2.774
  727   HG23  THR 106          HG23      THR 106   6.288 -16.401  -2.053
  728    H    GLU 107           H        GLU 107   4.794 -13.694  -3.283
  729    HA   GLU 107           HA       GLU 107   4.312 -14.459  -5.931
  730    HB2  GLU 107           HB2      GLU 107   2.684 -12.961  -3.856
  731    HB3  GLU 107           HB3      GLU 107   2.022 -13.568  -5.366
  732    HG2  GLU 107           HG2      GLU 107   1.455 -15.085  -3.582
  733    HG3  GLU 107           HG3      GLU 107   2.522 -15.872  -4.736
  734    HA   PRO 108           HA       PRO 108   5.155 -10.304  -7.707
  735    HB2  PRO 108           HB2      PRO 108   5.148 -10.961 -10.358
  736    HB3  PRO 108           HB3      PRO 108   6.517 -11.343  -9.275
  737    HG2  PRO 108           HG2      PRO 108   4.241 -13.168 -10.109
  738    HG3  PRO 108           HG3      PRO 108   5.999 -13.517 -10.113
  739    HD2  PRO 108           HD2      PRO 108   4.374 -14.288  -8.062
  740    HD3  PRO 108           HD3      PRO 108   6.053 -13.752  -7.773
  741    H    VAL 109           H        VAL 109   3.818  -8.722  -8.397
  742    HA   VAL 109           HA       VAL 109   1.425  -9.321 -10.031
  743    HB   VAL 109           HB       VAL 109  -0.029  -7.790  -8.810
  744   HG11  VAL 109          HG11      VAL 109   0.907  -9.994  -6.938
  745   HG12  VAL 109          HG12      VAL 109  -0.683  -9.209  -6.977
  746   HG13  VAL 109          HG13      VAL 109  -0.171 -10.218  -8.336
  747   HG21  VAL 109          HG21      VAL 109   1.521  -6.331  -7.662
  748   HG22  VAL 109          HG22      VAL 109   0.463  -7.094  -6.474
  749   HG23  VAL 109          HG23      VAL 109   2.128  -7.675  -6.662
  750    H    THR 110           H        THR 110   0.536  -7.130 -10.970
  751    HA   THR 110           HA       THR 110   2.708  -5.111 -11.271
  752    HB   THR 110           HB       THR 110   1.345  -6.541 -13.582
  753    HG1  THR 110           HG1      THR 110   3.352  -7.351 -13.941
  754   HG21  THR 110          HG21      THR 110   3.458  -4.323 -13.586
  755   HG22  THR 110          HG22      THR 110   2.938  -5.245 -15.006
  756   HG23  THR 110          HG23      THR 110   1.789  -4.199 -14.175
  757    H    ALA 111           H        ALA 111   2.016  -3.066 -11.544
  758    HA   ALA 111           HA       ALA 111  -0.930  -2.583 -11.805
  759    HB1  ALA 111           HB1      ALA 111   1.224  -0.859 -10.545
  760    HB2  ALA 111           HB2      ALA 111  -0.491  -0.430 -10.706
  761    HB3  ALA 111           HB3      ALA 111  -0.011  -1.812  -9.699
  762    HA   PRO 112           HA       PRO 112   0.713  -1.066 -15.844
  763    HB2  PRO 112           HB2      PRO 112  -1.394  -1.765 -17.433
  764    HB3  PRO 112           HB3      PRO 112  -0.243  -2.981 -16.815
  765    HG2  PRO 112           HG2      PRO 112  -2.928  -2.210 -15.627
  766    HG3  PRO 112           HG3      PRO 112  -2.331  -3.854 -16.035
  767    HD2  PRO 112           HD2      PRO 112  -2.143  -2.854 -13.521
  768    HD3  PRO 112           HD3      PRO 112  -0.841  -3.869 -14.210
  769    H    ARG 113           H        ARG 113  -1.272   0.297 -13.717
  770    HA   ARG 113           HA       ARG 113  -2.637   2.225 -15.513
  771    HB2  ARG 113           HB2      ARG 113  -3.846   1.151 -13.611
  772    HB3  ARG 113           HB3      ARG 113  -2.808   2.022 -12.475
  773    HG2  ARG 113           HG2      ARG 113  -3.780   4.115 -13.023
  774    HG3  ARG 113           HG3      ARG 113  -4.306   3.553 -14.613
  775    HD2  ARG 113           HD2      ARG 113  -6.260   3.835 -13.319
  776    HD3  ARG 113           HD3      ARG 113  -6.022   2.103 -13.541
  777    HE   ARG 113           HE       ARG 113  -4.863   2.956 -11.029
  778   HH11  ARG 113          HH11      ARG 113  -8.139   2.542 -12.463
  779   HH12  ARG 113          HH12      ARG 113  -8.789   2.267 -10.843
  780   HH21  ARG 113          HH21      ARG 113  -5.955   2.332  -9.078
  781   HH22  ARG 113          HH22      ARG 113  -7.717   2.342  -9.145
  782    H    LEU 114           H        LEU 114   0.333   1.849 -14.237
  783    HA   LEU 114           HA       LEU 114   1.110   4.710 -14.495
  784    HB2  LEU 114           HB2      LEU 114   2.160   2.577 -12.572
  785    HB3  LEU 114           HB3      LEU 114   3.028   4.058 -12.947
  786    HG   LEU 114           HG       LEU 114   2.084   4.303 -10.822
  787   HD11  LEU 114          HD11      LEU 114   0.334   5.938 -12.678
  788   HD12  LEU 114          HD12      LEU 114   0.823   6.324 -11.011
  789   HD13  LEU 114          HD13      LEU 114   2.041   6.262 -12.296
  790   HD21  LEU 114          HD21      LEU 114   0.256   2.590 -11.004
  791   HD22  LEU 114          HD22      LEU 114  -0.169   4.081 -10.144
  792   HD23  LEU 114          HD23      LEU 114  -0.745   3.834 -11.793
  793    H    LYS 115           H        LYS 115   3.341   4.815 -15.408
  794    HA   LYS 115           HA       LYS 115   4.446   2.338 -16.592
  795    HB2  LYS 115           HB2      LYS 115   3.295   4.561 -18.295
  796    HB3  LYS 115           HB3      LYS 115   4.764   3.752 -18.808
  797    HG2  LYS 115           HG2      LYS 115   3.424   2.311 -19.830
  798    HG3  LYS 115           HG3      LYS 115   3.347   1.529 -18.260
  799    HD2  LYS 115           HD2      LYS 115   1.247   3.046 -17.852
  800    HD3  LYS 115           HD3      LYS 115   1.307   3.359 -19.585
  801    HE2  LYS 115           HE2      LYS 115   1.033   0.656 -18.187
  802    HE3  LYS 115           HE3      LYS 115  -0.246   1.521 -19.033
  803    HZ1  LYS 115           HZ1      LYS 115   2.164   0.273 -20.239
  804    HZ2  LYS 115           HZ2      LYS 115   0.622  -0.160 -20.475
  805    HZ3  LYS 115           HZ3      LYS 115   1.166   1.269 -21.088
  806    H    SER 116           H        SER 116   5.045   5.279 -15.096
  807    HA   SER 116           HA       SER 116   7.988   4.972 -15.673
  808    HB2  SER 116           HB2      SER 116   6.301   7.465 -15.746
  809    HB3  SER 116           HB3      SER 116   8.056   7.511 -15.447
  810    HG   SER 116           HG       SER 116   7.243   7.611 -17.759
  811    H    LEU 117           H        LEU 117   9.264   4.841 -13.823
  812    HA   LEU 117           HA       LEU 117   7.867   4.679 -11.306
  813    HB2  LEU 117           HB2      LEU 117  10.279   3.709 -12.380
  814    HB3  LEU 117           HB3      LEU 117  10.814   4.780 -11.092
  815    HG   LEU 117           HG       LEU 117   8.601   2.755 -10.655
  816   HD11  LEU 117          HD11      LEU 117  11.507   2.047 -10.260
  817   HD12  LEU 117          HD12      LEU 117  10.140   1.125  -9.660
  818   HD13  LEU 117          HD13      LEU 117  10.385   1.271 -11.413
  819   HD21  LEU 117          HD21      LEU 117   9.343   4.482  -8.823
  820   HD22  LEU 117          HD22      LEU 117   9.581   2.787  -8.304
  821   HD23  LEU 117          HD23      LEU 117  10.964   3.706  -8.907
  822    H    ASP 118           H        ASP 118   9.571   7.300 -12.851
  823    HA   ASP 118           HA       ASP 118   9.614   9.224 -10.789
  824    HB2  ASP 118           HB2      ASP 118   9.099   9.419 -13.778
  825    HB3  ASP 118           HB3      ASP 118   9.122  10.845 -12.747
  826    H    GLU 119           H        GLU 119   6.729   7.758 -12.192
  827    HA   GLU 119           HA       GLU 119   4.964   9.973 -11.485
  828    HB2  GLU 119           HB2      GLU 119   4.328   7.062 -12.111
  829    HB3  GLU 119           HB3      GLU 119   3.151   8.368 -11.952
  830    HG2  GLU 119           HG2      GLU 119   4.098   9.565 -13.848
  831    HG3  GLU 119           HG3      GLU 119   5.384   8.382 -14.021
  832    H    VAL 120           H        VAL 120   6.569   7.558  -9.616
  833    HA   VAL 120           HA       VAL 120   4.676   8.043  -7.334
  834    HB   VAL 120           HB       VAL 120   5.047   5.757  -6.567
  835   HG11  VAL 120          HG11      VAL 120   3.976   5.841  -9.410
  836   HG12  VAL 120          HG12      VAL 120   3.628   4.624  -8.172
  837   HG13  VAL 120          HG13      VAL 120   3.084   6.296  -7.941
  838   HG21  VAL 120          HG21      VAL 120   7.267   5.326  -7.707
  839   HG22  VAL 120          HG22      VAL 120   6.072   4.038  -7.932
  840   HG23  VAL 120          HG23      VAL 120   6.390   5.181  -9.247
  841    H    LYS 121           H        LYS 121   7.709   8.803  -8.254
  842    HA   LYS 121           HA       LYS 121   9.444   8.033  -6.203
  843    HB2  LYS 121           HB2      LYS 121  10.936   9.677  -7.162
  844    HB3  LYS 121           HB3      LYS 121  10.019   8.907  -8.458
  845    HG2  LYS 121           HG2      LYS 121   8.457  10.863  -8.486
  846    HG3  LYS 121           HG3      LYS 121   9.394  11.653  -7.222
  847    HD2  LYS 121           HD2      LYS 121  11.263  12.008  -8.614
  848    HD3  LYS 121           HD3      LYS 121  10.726  10.803  -9.793
  849    HE2  LYS 121           HE2      LYS 121   8.701  12.228 -10.263
  850    HE3  LYS 121           HE3      LYS 121   9.383  13.495  -9.235
  851    HZ1  LYS 121           HZ1      LYS 121  10.822  12.347 -11.559
  852    HZ2  LYS 121           HZ2      LYS 121   9.865  13.678 -11.684
  853    HZ3  LYS 121           HZ3      LYS 121  11.191  13.730 -10.735
  854    H    ASP 122           H        ASP 122   6.902   9.649  -5.220
  855    HA   ASP 122           HA       ASP 122   8.270  11.403  -3.243
  856    HB2  ASP 122           HB2      ASP 122   7.880  12.638  -5.429
  857    HB3  ASP 122           HB3      ASP 122   6.149  12.404  -5.191
  858    H    LYS 123           H        LYS 123   6.543   8.900  -3.282
  859    HA   LYS 123           HA       LYS 123   4.401   9.680  -1.398
  860    HB2  LYS 123           HB2      LYS 123   3.924   8.215  -4.029
  861    HB3  LYS 123           HB3      LYS 123   2.725   8.420  -2.743
  862    HG2  LYS 123           HG2      LYS 123   2.899  10.889  -2.969
  863    HG3  LYS 123           HG3      LYS 123   3.982  10.693  -4.348
  864    HD2  LYS 123           HD2      LYS 123   1.174   9.560  -4.234
  865    HD3  LYS 123           HD3      LYS 123   1.555  11.139  -4.911
  866    HE2  LYS 123           HE2      LYS 123   2.833   8.549  -5.908
  867    HE3  LYS 123           HE3      LYS 123   1.344   9.215  -6.584
  868    HZ1  LYS 123           HZ1      LYS 123   3.910  10.681  -6.542
  869    HZ2  LYS 123           HZ2      LYS 123   3.290   9.897  -7.853
  870    HZ3  LYS 123           HZ3      LYS 123   2.517  11.196  -7.232
  871    H    ALA 124           H        ALA 124   3.255   7.711  -0.512
  872    HA   ALA 124           HA       ALA 124   5.221   5.579   0.110
  873    HB1  ALA 124           HB1      ALA 124   2.609   6.406   1.437
  874    HB2  ALA 124           HB2      ALA 124   3.690   5.115   2.007
  875    HB3  ALA 124           HB3      ALA 124   4.257   6.784   1.996
  876    H    LEU 125           H        LEU 125   4.974   3.521  -0.236
  877    HA   LEU 125           HA       LEU 125   2.641   2.247  -1.585
  878    HB2  LEU 125           HB2      LEU 125   5.092   1.036  -0.264
  879    HB3  LEU 125           HB3      LEU 125   3.979   0.215  -1.355
  880    HG   LEU 125           HG       LEU 125   5.891   2.451  -2.168
  881   HD11  LEU 125          HD11      LEU 125   6.158  -0.575  -2.419
  882   HD12  LEU 125          HD12      LEU 125   7.292   0.638  -3.026
  883   HD13  LEU 125          HD13      LEU 125   7.057   0.459  -1.290
  884   HD21  LEU 125          HD21      LEU 125   3.861   2.043  -3.691
  885   HD22  LEU 125          HD22      LEU 125   5.441   1.802  -4.454
  886   HD23  LEU 125          HD23      LEU 125   4.515   0.408  -3.960
  887    H    MET 126           H        MET 126   1.193   0.927  -0.331
  888    HA   MET 126           HA       MET 126   1.921   0.411   2.523
  889    HB2  MET 126           HB2      MET 126  -0.749   1.550   1.607
  890    HB3  MET 126           HB3      MET 126  -0.436   0.850   3.204
  891    HG2  MET 126           HG2      MET 126   1.371   2.542   3.572
  892    HG3  MET 126           HG3      MET 126   0.977   3.271   2.027
  893    HE1  MET 126           HE1      MET 126   0.832   5.528   3.111
  894    HE2  MET 126           HE2      MET 126  -0.213   5.984   4.469
  895    HE3  MET 126           HE3      MET 126   1.163   4.875   4.719
  896    H    ILE 127           H        ILE 127   1.690  -1.619   3.070
  897    HA   ILE 127           HA       ILE 127  -0.038  -3.481   1.465
  898    HB   ILE 127           HB       ILE 127   1.986  -4.135   3.646
  899   HG12  ILE 127          HG12      ILE 127   2.087  -4.460   0.610
  900   HG13  ILE 127          HG13      ILE 127   3.096  -3.403   1.596
  901   HG21  ILE 127          HG21      ILE 127   0.348  -5.982   1.840
  902   HG22  ILE 127          HG22      ILE 127   1.513  -6.488   3.085
  903   HG23  ILE 127          HG23      ILE 127   0.024  -5.700   3.565
  904   HD11  ILE 127          HD11      ILE 127   3.189  -6.444   1.552
  905   HD12  ILE 127          HD12      ILE 127   4.402  -5.312   0.950
  906   HD13  ILE 127          HD13      ILE 127   4.099  -5.421   2.695
  907    H    HIS 128           H        HIS 128  -1.983  -3.452   2.031
  908    HA   HIS 128           HA       HIS 128  -2.912  -2.635   4.709
  909    HB2  HIS 128           HB2      HIS 128  -3.706  -2.272   1.932
  910    HB3  HIS 128           HB3      HIS 128  -5.025  -2.953   2.785
  911    HD1  HIS 128           HD1      HIS 128  -6.244  -1.190   4.439
  912    HD2  HIS 128           HD2      HIS 128  -2.841   0.054   2.361
  913    HE1  HIS 128           HE1      HIS 128  -6.446   1.369   4.195
  914    H    VAL 129           H        VAL 129  -4.489  -3.834   5.882
  915    HA   VAL 129           HA       VAL 129  -4.031  -6.663   5.842
  916    HB   VAL 129           HB       VAL 129  -6.080  -4.989   7.302
  917   HG11  VAL 129          HG11      VAL 129  -5.525  -7.976   7.639
  918   HG12  VAL 129          HG12      VAL 129  -6.435  -6.976   8.795
  919   HG13  VAL 129          HG13      VAL 129  -7.070  -7.230   7.170
  920   HG21  VAL 129          HG21      VAL 129  -3.673  -4.699   7.934
  921   HG22  VAL 129          HG22      VAL 129  -4.572  -5.480   9.241
  922   HG23  VAL 129          HG23      VAL 129  -3.527  -6.445   8.183
  923    H    GLY 130           H        GLY 130  -6.904  -4.779   4.712
  924    HA2  GLY 130           HA2      GLY 130  -8.213  -7.233   3.722
  925    HA3  GLY 130           HA3      GLY 130  -8.847  -5.578   3.646
  926    H    GLY 131           H        GLY 131  -8.344  -7.896   1.666
  927    HA2  GLY 131           HA2      GLY 131  -6.802  -7.084  -0.524
  928    HA3  GLY 131           HA3      GLY 131  -8.254  -8.062  -0.596
  929    H    ASP 132           H        ASP 132  -7.173  -5.959  -2.355
  930    HA   ASP 132           HA       ASP 132  -8.835  -3.586  -2.057
  931    HB2  ASP 132           HB2      ASP 132  -6.438  -3.604  -2.735
  932    HB3  ASP 132           HB3      ASP 132  -6.887  -4.374  -4.243
  933    H    ASN 133           H        ASN 133 -10.840  -4.054  -2.306
  934    HA   ASN 133           HA       ASN 133 -12.142  -4.059  -4.775
  935    HB2  ASN 133           HB2      ASN 133 -11.432  -6.560  -4.720
  936    HB3  ASN 133           HB3      ASN 133 -12.562  -6.749  -3.395
  937   HD21  ASN 133          HD21      ASN 133 -12.969  -8.331  -5.557
  938   HD22  ASN 133          HD22      ASN 133 -14.290  -7.713  -6.542
  939    H    MET 134           H        MET 134 -12.278  -4.906  -1.326
  940    HA   MET 134           HA       MET 134 -15.041  -4.564  -0.870
  941    HB2  MET 134           HB2      MET 134 -12.660  -4.217   0.989
  942    HB3  MET 134           HB3      MET 134 -14.348  -4.236   1.530
  943    HG2  MET 134           HG2      MET 134 -14.655  -6.488   0.572
  944    HG3  MET 134           HG3      MET 134 -12.974  -6.522   0.047
  945    HE1  MET 134           HE1      MET 134 -11.206  -5.446   2.331
  946    HE2  MET 134           HE2      MET 134 -10.948  -6.941   3.257
  947    HE3  MET 134           HE3      MET 134 -10.969  -6.990   1.475
  948    H    SER 135           H        SER 135 -16.381  -2.927  -0.592
  949    HA   SER 135           HA       SER 135 -15.597  -0.192   0.051
  950    HB2  SER 135           HB2      SER 135 -15.111  -0.581  -2.443
  951    HB3  SER 135           HB3      SER 135 -16.863  -0.693  -2.660
  952    HG   SER 135           HG       SER 135 -15.723   1.420  -2.901
  953    H    ASP 136           H        ASP 136 -17.923   1.040  -0.757
  954    HA   ASP 136           HA       ASP 136 -20.020   1.598  -0.179
  955    HB2  ASP 136           HB2      ASP 136 -20.557  -0.221  -1.708
  956    HB3  ASP 136           HB3      ASP 136 -20.545  -1.382  -0.375
  957    H    GLN 137           H        GLN 137 -18.861  -0.940   1.895
  958    HA   GLN 137           HA       GLN 137 -20.598  -0.735   4.143
  959    HB2  GLN 137           HB2      GLN 137 -17.846  -1.781   3.510
  960    HB3  GLN 137           HB3      GLN 137 -18.130  -1.389   5.185
  961    HG2  GLN 137           HG2      GLN 137 -18.530  -3.716   4.837
  962    HG3  GLN 137           HG3      GLN 137 -20.007  -2.912   5.338
  963   HE21  GLN 137          HE21      GLN 137 -19.015  -2.869   1.785
  964   HE22  GLN 137          HE22      GLN 137 -20.316  -3.978   1.420
  965    HA   PRO 138           HA       PRO 138 -19.585   3.171   5.885
  966    HB2  PRO 138           HB2      PRO 138 -19.908   2.836   8.589
  967    HB3  PRO 138           HB3      PRO 138 -21.258   2.755   7.418
  968    HG2  PRO 138           HG2      PRO 138 -19.666   0.442   8.578
  969    HG3  PRO 138           HG3      PRO 138 -21.450   0.628   8.506
  970    HD2  PRO 138           HD2      PRO 138 -20.120  -0.807   6.636
  971    HD3  PRO 138           HD3      PRO 138 -21.487   0.247   6.170
  972    H    LYS 139           H        LYS 139 -17.355   0.641   6.351
  973    HA   LYS 139           HA       LYS 139 -15.340   2.621   7.274
  974    HB2  LYS 139           HB2      LYS 139 -15.372  -0.329   8.052
  975    HB3  LYS 139           HB3      LYS 139 -14.083   0.842   8.401
  976    HG2  LYS 139           HG2      LYS 139 -15.938   2.269   9.518
  977    HG3  LYS 139           HG3      LYS 139 -16.928   0.813   9.488
  978    HD2  LYS 139           HD2      LYS 139 -14.225   1.104  10.864
  979    HD3  LYS 139           HD3      LYS 139 -15.796   1.241  11.644
  980    HE2  LYS 139           HE2      LYS 139 -16.274  -1.150  10.854
  981    HE3  LYS 139           HE3      LYS 139 -14.559  -1.252  10.414
  982    HZ1  LYS 139           HZ1      LYS 139 -15.685  -0.717  13.102
  983    HZ2  LYS 139           HZ2      LYS 139 -14.879  -2.084  12.644
  984    HZ3  LYS 139           HZ3      LYS 139 -14.083  -0.626  12.779
  985    HA   PRO 140           HA       PRO 140 -13.709   1.830   3.293
  986    HB2  PRO 140           HB2      PRO 140 -11.084   2.627   3.514
  987    HB3  PRO 140           HB3      PRO 140 -12.471   3.758   3.519
  988    HG2  PRO 140           HG2      PRO 140 -10.999   2.608   5.911
  989    HG3  PRO 140           HG3      PRO 140 -11.435   4.320   5.598
  990    HD2  PRO 140           HD2      PRO 140 -12.955   2.736   7.192
  991    HD3  PRO 140           HD3      PRO 140 -13.718   3.918   6.088
  992    H    LEU 141           H        LEU 141 -12.651   0.276   2.079
  993    HA   LEU 141           HA       LEU 141 -12.079  -1.870   1.623
  994    HB2  LEU 141           HB2      LEU 141 -10.010  -1.235   3.758
  995    HB3  LEU 141           HB3      LEU 141 -10.052  -2.787   2.962
  996    HG   LEU 141           HG       LEU 141  -8.379  -1.343   2.032
  997   HD11  LEU 141          HD11      LEU 141 -10.553  -1.912  -0.022
  998   HD12  LEU 141          HD12      LEU 141  -8.807  -1.767  -0.309
  999   HD13  LEU 141          HD13      LEU 141  -9.430  -3.112   0.655
 1000   HD21  LEU 141          HD21      LEU 141  -9.512   0.864   2.284
 1001   HD22  LEU 141          HD22      LEU 141  -8.829   0.601   0.669
 1002   HD23  LEU 141          HD23      LEU 141 -10.571   0.446   0.913
 1003    H    GLY 142           H        GLY 142 -14.276  -1.394   3.491
 1004    HA2  GLY 142           HA2      GLY 142 -15.838  -2.735   4.557
 1005    HA3  GLY 142           HA3      GLY 142 -14.745  -4.132   4.385
 1006    H    GLY 143           H        GLY 143 -13.016  -1.674   5.823
 1007    HA2  GLY 143           HA2      GLY 143 -12.763  -1.327   8.297
 1008    HA3  GLY 143           HA3      GLY 143 -13.241  -3.034   8.492
 1009    H    GLY 144           H        GLY 144 -11.547  -3.387   5.810
 1010    HA2  GLY 144           HA2      GLY 144  -9.036  -4.157   7.000
 1011    HA3  GLY 144           HA3      GLY 144  -9.464  -4.154   5.271
 1012    H    GLY 145           H        GLY 145  -9.618  -1.276   7.269
 1013    HA2  GLY 145           HA2      GLY 145  -7.811   0.265   5.601
 1014    HA3  GLY 145           HA3      GLY 145  -8.601   0.789   7.106
 1015    H    THR 146           H        THR 146  -7.368  -1.741   8.426
 1016    HA   THR 146           HA       THR 146  -4.964  -0.618   9.500
 1017    HB   THR 146           HB       THR 146  -4.700  -3.071  10.331
 1018    HG1  THR 146           HG1      THR 146  -6.744  -4.163  10.180
 1019   HG21  THR 146          HG21      THR 146  -7.248  -1.517  10.999
 1020   HG22  THR 146          HG22      THR 146  -6.479  -2.764  12.003
 1021   HG23  THR 146          HG23      THR 146  -5.645  -1.232  11.713
 1022    H    ARG 147           H        ARG 147  -2.839  -1.543   9.395
 1023    HA   ARG 147           HA       ARG 147  -2.054  -2.263   6.595
 1024    HB2  ARG 147           HB2      ARG 147  -0.313  -0.882   8.657
 1025    HB3  ARG 147           HB3      ARG 147  -0.034  -1.043   6.930
 1026    HG2  ARG 147           HG2      ARG 147  -2.049   0.765   8.317
 1027    HG3  ARG 147           HG3      ARG 147  -0.573   1.219   7.474
 1028    HD2  ARG 147           HD2      ARG 147  -1.657   0.193   5.362
 1029    HD3  ARG 147           HD3      ARG 147  -3.181   0.230   6.260
 1030    HE   ARG 147           HE       ARG 147  -1.674   2.460   5.132
 1031   HH11  ARG 147          HH11      ARG 147  -4.296   1.778   7.403
 1032   HH12  ARG 147          HH12      ARG 147  -4.536   3.430   7.823
 1033   HH21  ARG 147          HH21      ARG 147  -2.109   4.570   5.527
 1034   HH22  ARG 147          HH22      ARG 147  -3.362   5.028   6.658
 1035    H    TYR 148           H        TYR 148  -0.220  -3.653   6.357
 1036    HA   TYR 148           HA       TYR 148   0.909  -4.753   8.901
 1037    HB2  TYR 148           HB2      TYR 148  -0.066  -6.514   7.334
 1038    HB3  TYR 148           HB3      TYR 148   1.282  -6.215   6.238
 1039    HD1  TYR 148           HD1      TYR 148   0.426  -7.157   9.757
 1040    HD2  TYR 148           HD2      TYR 148   3.450  -7.073   6.682
 1041    HE1  TYR 148           HE1      TYR 148   1.896  -8.600  11.160
 1042    HE2  TYR 148           HE2      TYR 148   4.902  -8.524   8.067
 1043    HH   TYR 148           HH       TYR 148   5.075  -9.764   9.984
 1044    H    ALA 149           H        ALA 149   1.602  -3.014   5.875
 1045    HA   ALA 149           HA       ALA 149   4.118  -2.099   7.075
 1046    HB1  ALA 149           HB1      ALA 149   4.159  -3.601   4.421
 1047    HB2  ALA 149           HB2      ALA 149   5.532  -2.824   5.218
 1048    HB3  ALA 149           HB3      ALA 149   4.773  -4.234   5.968
 1049    H    CYS 150           H        CYS 150   5.132  -0.377   6.009
 1050    HA   CYS 150           HA       CYS 150   3.727   1.045   3.837
 1051    HB2  CYS 150           HB2      CYS 150   2.934   1.995   5.965
 1052    HB3  CYS 150           HB3      CYS 150   4.600   2.260   6.479
 1053    H    GLY 151           H        GLY 151   5.206   2.424   2.666
 1054    HA2  GLY 151           HA2      GLY 151   8.082   2.336   3.275
 1055    HA3  GLY 151           HA3      GLY 151   7.633   1.415   1.848
 1056    H    VAL 152           H        VAL 152   8.843   4.237   2.735
 1057    HA   VAL 152           HA       VAL 152   7.523   6.023   0.795
 1058    HB   VAL 152           HB       VAL 152  10.020   6.511   2.477
 1059   HG11  VAL 152          HG11      VAL 152   8.209   8.435   0.931
 1060   HG12  VAL 152          HG12      VAL 152   9.524   8.920   2.024
 1061   HG13  VAL 152          HG13      VAL 152   9.899   8.042   0.540
 1062   HG21  VAL 152          HG21      VAL 152   8.124   6.150   3.968
 1063   HG22  VAL 152          HG22      VAL 152   8.515   7.867   3.920
 1064   HG23  VAL 152          HG23      VAL 152   7.112   7.254   3.011
 1065    H    ILE 153           H        ILE 153   8.157   6.290  -1.250
 1066    HA   ILE 153           HA       ILE 153  10.281   4.610  -2.366
 1067    HB   ILE 153           HB       ILE 153   8.309   6.563  -3.579
 1068   HG12  ILE 153          HG12      ILE 153   8.302   3.538  -3.930
 1069   HG13  ILE 153          HG13      ILE 153   7.597   4.213  -2.486
 1070   HG21  ILE 153          HG21      ILE 153  10.082   4.565  -5.057
 1071   HG22  ILE 153          HG22      ILE 153   8.873   5.636  -5.781
 1072   HG23  ILE 153          HG23      ILE 153  10.328   6.317  -5.056
 1073   HD11  ILE 153          HD11      ILE 153   6.749   4.780  -5.339
 1074   HD12  ILE 153          HD12      ILE 153   5.827   3.944  -4.085
 1075   HD13  ILE 153          HD13      ILE 153   6.116   5.668  -3.931
 1076    H    LYS 154           H        LYS 154  12.226   5.086  -2.843
 1077    HA   LYS 154           HA       LYS 154  13.446   7.742  -2.404
 1078    HB2  LYS 154           HB2      LYS 154  14.821   5.249  -3.449
 1079    HB3  LYS 154           HB3      LYS 154  15.525   6.587  -2.551
 1080    HG2  LYS 154           HG2      LYS 154  13.724   4.374  -1.472
 1081    HG3  LYS 154           HG3      LYS 154  15.453   4.536  -1.220
 1082    HD2  LYS 154           HD2      LYS 154  15.184   6.463   0.190
 1083    HD3  LYS 154           HD3      LYS 154  13.462   6.625  -0.234
 1084    HE2  LYS 154           HE2      LYS 154  12.908   4.515   0.780
 1085    HE3  LYS 154           HE3      LYS 154  14.608   4.136   1.095
 1086    HZ1  LYS 154           HZ1      LYS 154  13.275   6.501   2.267
 1087    HZ2  LYS 154           HZ2      LYS 154  13.320   5.010   3.015
 1088    HZ3  LYS 154           HZ3      LYS 154  14.703   5.845   2.709
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1  10.875   1.822 -15.711
    2    H2   ALA   1           H2       ALA   1  12.079   0.705 -15.881
    3    H3   ALA   1           H3       ALA   1  12.197   2.230 -16.549
    4    HA   ALA   1           HA       ALA   1  13.576   2.278 -14.676
    5    HB1  ALA   1           HB1      ALA   1  10.939   3.540 -13.873
    6    HB2  ALA   1           HB2      ALA   1  12.549   3.966 -13.268
    7    HB3  ALA   1           HB3      ALA   1  12.129   4.285 -14.958
    8    H    SER   2           H        SER   2  13.416   2.244 -12.019
    9    HA   SER   2           HA       SER   2  12.380  -0.393 -11.291
   10    HB2  SER   2           HB2      SER   2  15.371   0.054 -11.591
   11    HB3  SER   2           HB3      SER   2  14.570  -1.412 -11.013
   12    HG   SER   2           HG       SER   2  15.267  -1.489 -13.277
   13    H    GLU   3           H        GLU   3  12.206  -0.437  -9.045
   14    HA   GLU   3           HA       GLU   3  14.323   0.759  -7.542
   15    HB2  GLU   3           HB2      GLU   3  12.857   2.848  -7.818
   16    HB3  GLU   3           HB3      GLU   3  11.633   2.005  -6.843
   17    HG2  GLU   3           HG2      GLU   3  13.035   3.592  -5.552
   18    HG3  GLU   3           HG3      GLU   3  13.214   1.929  -4.953
   19    H    LYS   4           H        LYS   4  14.753  -0.309  -5.723
   20    HA   LYS   4           HA       LYS   4  12.898  -2.413  -4.843
   21    HB2  LYS   4           HB2      LYS   4  15.240  -2.978  -5.451
   22    HB3  LYS   4           HB3      LYS   4  15.845  -1.753  -4.324
   23    HG2  LYS   4           HG2      LYS   4  14.820  -2.943  -2.457
   24    HG3  LYS   4           HG3      LYS   4  14.205  -4.180  -3.563
   25    HD2  LYS   4           HD2      LYS   4  17.173  -3.567  -3.147
   26    HD3  LYS   4           HD3      LYS   4  16.280  -4.773  -2.206
   27    HE2  LYS   4           HE2      LYS   4  15.672  -5.963  -4.308
   28    HE3  LYS   4           HE3      LYS   4  16.663  -4.826  -5.232
   29    HZ1  LYS   4           HZ1      LYS   4  17.733  -6.580  -3.078
   30    HZ2  LYS   4           HZ2      LYS   4  17.796  -6.911  -4.684
   31    HZ3  LYS   4           HZ3      LYS   4  18.621  -5.642  -4.101
   32    H    VAL   5           H        VAL   5  11.261  -1.343  -3.648
   33    HA   VAL   5           HA       VAL   5  12.207   0.669  -1.692
   34    HB   VAL   5           HB       VAL   5   9.401  -0.184  -2.435
   35   HG11  VAL   5          HG11      VAL   5  10.425   2.049  -0.602
   36   HG12  VAL   5          HG12      VAL   5   8.754   1.891  -1.166
   37   HG13  VAL   5          HG13      VAL   5   9.437   0.653  -0.115
   38   HG21  VAL   5          HG21      VAL   5  10.673   0.969  -4.227
   39   HG22  VAL   5          HG22      VAL   5   9.410   2.040  -3.580
   40   HG23  VAL   5          HG23      VAL   5  11.100   2.274  -3.104
   41    H    GLY   6           H        GLY   6  12.681   0.272   0.280
   42    HA2  GLY   6           HA2      GLY   6  12.361  -2.269   1.633
   43    HA3  GLY   6           HA3      GLY   6  12.983  -0.749   2.329
   44    H    MET   7           H        MET   7  10.411  -2.909   2.154
   45    HA   MET   7           HA       MET   7   8.338  -1.161   3.325
   46    HB2  MET   7           HB2      MET   7   8.576  -4.078   2.548
   47    HB3  MET   7           HB3      MET   7   7.234  -3.527   3.579
   48    HG2  MET   7           HG2      MET   7   7.902  -2.212   0.925
   49    HG3  MET   7           HG3      MET   7   6.799  -3.585   1.069
   50    HE1  MET   7           HE1      MET   7   5.106  -2.100  -0.227
   51    HE2  MET   7           HE2      MET   7   4.478  -0.546   0.366
   52    HE3  MET   7           HE3      MET   7   6.167  -0.664  -0.165
   53    H    ASN   8           H        ASN   8   8.801  -0.437   5.297
   54    HA   ASN   8           HA       ASN   8   9.938  -2.256   7.363
   55    HB2  ASN   8           HB2      ASN   8   9.688   0.677   7.078
   56    HB3  ASN   8           HB3      ASN   8   9.215   0.056   8.667
   57   HD21  ASN   8          HD21      ASN   8  10.803  -0.389  10.109
   58   HD22  ASN   8          HD22      ASN   8  12.505  -0.630   9.702
   59    H    LEU   9           H        LEU   9   8.697  -3.102   8.967
   60    HA   LEU   9           HA       LEU   9   5.834  -3.380   8.556
   61    HB2  LEU   9           HB2      LEU   9   7.523  -4.052  11.000
   62    HB3  LEU   9           HB3      LEU   9   5.901  -4.633  10.665
   63    HG   LEU   9           HG       LEU   9   8.374  -5.324   8.992
   64   HD11  LEU   9          HD11      LEU   9   6.903  -6.811  11.194
   65   HD12  LEU   9          HD12      LEU   9   8.012  -7.584  10.055
   66   HD13  LEU   9          HD13      LEU   9   8.618  -6.314  11.134
   67   HD21  LEU   9          HD21      LEU   9   6.441  -5.441   7.579
   68   HD22  LEU   9          HD22      LEU   9   6.858  -7.093   8.044
   69   HD23  LEU   9          HD23      LEU   9   5.499  -6.265   8.837
   70    H    VAL  10           H        VAL  10   4.182  -2.346   9.713
   71    HA   VAL  10           HA       VAL  10   4.941  -0.116  11.524
   72    HB   VAL  10           HB       VAL  10   3.688   1.573  10.455
   73   HG11  VAL  10          HG11      VAL  10   5.136   0.364   8.102
   74   HG12  VAL  10          HG12      VAL  10   4.918   2.074   8.529
   75   HG13  VAL  10          HG13      VAL  10   5.995   1.050   9.490
   76   HG21  VAL  10          HG21      VAL  10   1.756   0.418   9.634
   77   HG22  VAL  10          HG22      VAL  10   2.489   1.350   8.329
   78   HG23  VAL  10          HG23      VAL  10   2.736  -0.413   8.383
   79    H    THR  11           H        THR  11   3.187   0.930  12.538
   80    HA   THR  11           HA       THR  11   0.542  -0.120  12.719
   81    HB   THR  11           HB       THR  11   1.668  -2.042  13.744
   82    HG1  THR  11           HG1      THR  11   0.410  -2.045  15.602
   83   HG21  THR  11          HG21      THR  11   2.558  -0.184  15.990
   84   HG22  THR  11          HG22      THR  11   2.742  -1.941  15.911
   85   HG23  THR  11          HG23      THR  11   3.634  -0.918  14.784
   86    H    ALA  12           H        ALA  12   0.435   0.609  15.512
   87    HA   ALA  12           HA       ALA  12  -0.150   3.389  15.642
   88    HB1  ALA  12           HB1      ALA  12   0.543   1.331  17.794
   89    HB2  ALA  12           HB2      ALA  12  -0.295   2.851  18.081
   90    HB3  ALA  12           HB3      ALA  12  -1.082   1.601  17.098
   91    H    GLN  13           H        GLN  13   2.795   2.674  14.887
   92    HA   GLN  13           HA       GLN  13   3.961   4.825  16.532
   93    HB2  GLN  13           HB2      GLN  13   6.220   3.552  16.132
   94    HB3  GLN  13           HB3      GLN  13   5.279   3.532  17.586
   95    HG2  GLN  13           HG2      GLN  13   4.728   1.412  15.470
   96    HG3  GLN  13           HG3      GLN  13   6.245   1.437  16.393
   97   HE21  GLN  13          HE21      GLN  13   3.429   2.719  18.044
   98   HE22  GLN  13          HE22      GLN  13   3.617   1.488  19.266
   99    H    GLY  14           H        GLY  14   3.049   3.733  13.456
  100    HA2  GLY  14           HA2      GLY  14   3.704   4.242  11.283
  101    HA3  GLY  14           HA3      GLY  14   4.964   5.336  11.934
  102    H    VAL  15           H        VAL  15   6.574   4.528  10.704
  103    HA   VAL  15           HA       VAL  15   7.663   2.065  10.262
  104    HB   VAL  15           HB       VAL  15   9.258   4.450  11.275
  105   HG11  VAL  15          HG11      VAL  15  10.121   1.995   9.680
  106   HG12  VAL  15          HG12      VAL  15  11.138   3.420   9.988
  107   HG13  VAL  15          HG13      VAL  15  10.639   2.387  11.331
  108   HG21  VAL  15          HG21      VAL  15   8.490   3.589   8.452
  109   HG22  VAL  15          HG22      VAL  15   7.927   5.035   9.317
  110   HG23  VAL  15          HG23      VAL  15   9.623   4.898   8.861
  111    H    GLY  16           H        GLY  16   7.721   0.328  11.476
  112    HA2  GLY  16           HA2      GLY  16   8.514   0.365  14.345
  113    HA3  GLY  16           HA3      GLY  16   7.733  -0.955  13.422
  114    H    GLN  17           H        GLN  17   9.036  -2.110  11.801
  115    HA   GLN  17           HA       GLN  17  11.918  -1.882  11.924
  116    HB2  GLN  17           HB2      GLN  17  12.482  -3.986  12.889
  117    HB3  GLN  17           HB3      GLN  17  11.594  -3.041  14.058
  118    HG2  GLN  17           HG2      GLN  17   9.966  -4.593  14.269
  119    HG3  GLN  17           HG3      GLN  17   9.781  -4.795  12.516
  120   HE21  GLN  17          HE21      GLN  17  11.824  -6.057  11.457
  121   HE22  GLN  17          HE22      GLN  17  12.278  -7.465  12.429
  122    H    SER  18           H        SER  18  13.002  -3.180  10.378
  123    HA   SER  18           HA       SER  18  11.305  -3.785   8.079
  124    HB2  SER  18           HB2      SER  18  13.271  -2.266   8.122
  125    HB3  SER  18           HB3      SER  18  14.319  -3.678   8.303
  126    HG   SER  18           HG       SER  18  13.873  -2.800   6.122
  127    H    ILE  19           H        ILE  19  10.781  -5.737   7.288
  128    HA   ILE  19           HA       ILE  19  12.562  -8.099   7.743
  129    HB   ILE  19           HB       ILE  19   9.632  -7.531   7.878
  130   HG12  ILE  19          HG12      ILE  19  11.235  -7.978   9.773
  131   HG13  ILE  19          HG13      ILE  19   9.721  -8.880   9.737
  132   HG21  ILE  19          HG21      ILE  19  10.402 -10.250   6.809
  133   HG22  ILE  19          HG22      ILE  19   8.826  -9.765   7.475
  134   HG23  ILE  19          HG23      ILE  19   9.427  -9.003   6.000
  135   HD11  ILE  19          HD11      ILE  19  12.384 -10.018   8.760
  136   HD12  ILE  19          HD12      ILE  19  11.738 -10.253  10.397
  137   HD13  ILE  19          HD13      ILE  19  10.867 -10.916   9.003
  138    H    GLY  20           H        GLY  20  11.374  -6.087   5.176
  139    HA2  GLY  20           HA2      GLY  20  12.675  -7.768   3.238
  140    HA3  GLY  20           HA3      GLY  20  10.924  -7.936   3.126
  141    H    THR  21           H        THR  21  12.602  -6.859   1.050
  142    HA   THR  21           HA       THR  21  11.423  -4.117   0.810
  143    HB   THR  21           HB       THR  21  12.852  -3.610  -0.911
  144    HG1  THR  21           HG1      THR  21  13.545  -6.376  -0.986
  145   HG21  THR  21          HG21      THR  21  14.676  -5.317   0.821
  146   HG22  THR  21          HG22      THR  21  15.087  -3.881  -0.130
  147   HG23  THR  21          HG23      THR  21  14.058  -3.722   1.301
  148    H    VAL  22           H        VAL  22  10.597  -3.751  -1.455
  149    HA   VAL  22           HA       VAL  22   9.640  -6.183  -2.815
  150    HB   VAL  22           HB       VAL  22   7.814  -3.750  -2.532
  151   HG11  VAL  22          HG11      VAL  22   7.565  -6.487  -3.850
  152   HG12  VAL  22          HG12      VAL  22   6.196  -5.477  -3.569
  153   HG13  VAL  22          HG13      VAL  22   7.492  -4.915  -4.658
  154   HG21  VAL  22          HG21      VAL  22   7.838  -5.013  -0.380
  155   HG22  VAL  22          HG22      VAL  22   6.298  -5.160  -1.226
  156   HG23  VAL  22          HG23      VAL  22   7.462  -6.503  -1.281
  157    H    VAL  23           H        VAL  23  10.188  -6.088  -4.917
  158    HA   VAL  23           HA       VAL  23  11.544  -3.582  -5.737
  159    HB   VAL  23           HB       VAL  23  12.787  -5.609  -5.597
  160   HG11  VAL  23          HG11      VAL  23  11.437  -6.642  -8.055
  161   HG12  VAL  23          HG12      VAL  23  12.959  -7.243  -7.370
  162   HG13  VAL  23          HG13      VAL  23  11.505  -7.372  -6.405
  163   HG21  VAL  23          HG21      VAL  23  13.484  -3.619  -6.967
  164   HG22  VAL  23          HG22      VAL  23  14.165  -5.132  -7.586
  165   HG23  VAL  23          HG23      VAL  23  12.768  -4.388  -8.395
  166    H    ILE  24           H        ILE  24  10.784  -2.227  -7.063
  167    HA   ILE  24           HA       ILE  24   8.408  -2.877  -8.715
  168    HB   ILE  24           HB       ILE  24   9.765  -0.206  -8.298
  169   HG12  ILE  24          HG12      ILE  24   7.215  -0.861  -6.832
  170   HG13  ILE  24          HG13      ILE  24   8.648  -1.343  -6.069
  171   HG21  ILE  24          HG21      ILE  24   6.996  -1.014  -9.322
  172   HG22  ILE  24          HG22      ILE  24   7.505   0.663  -9.062
  173   HG23  ILE  24          HG23      ILE  24   8.310  -0.307 -10.282
  174   HD11  ILE  24          HD11      ILE  24   8.146   1.454  -7.138
  175   HD12  ILE  24          HD12      ILE  24   7.867   0.885  -5.452
  176   HD13  ILE  24          HD13      ILE  24   9.519   0.910  -6.171
  177    H    ASP  25           H        ASP  25   8.559  -3.099 -10.835
  178    HA   ASP  25           HA       ASP  25  10.810  -1.919 -12.382
  179    HB2  ASP  25           HB2      ASP  25  11.529  -4.022 -12.032
  180    HB3  ASP  25           HB3      ASP  25   9.921  -4.789 -12.190
  181    H    GLU  26           H        GLU  26   9.799  -0.390 -13.408
  182    HA   GLU  26           HA       GLU  26   7.004  -0.351 -14.080
  183    HB2  GLU  26           HB2      GLU  26   8.155   1.460 -13.024
  184    HB3  GLU  26           HB3      GLU  26   9.473   1.411 -14.219
  185    HG2  GLU  26           HG2      GLU  26   7.208   1.860 -15.690
  186    HG3  GLU  26           HG3      GLU  26   6.962   2.820 -14.239
  187    H    THR  27           H        THR  27   6.127  -0.667 -16.118
  188    HA   THR  27           HA       THR  27   7.885  -0.981 -18.474
  189    HB   THR  27           HB       THR  27   8.267  -3.013 -17.190
  190    HG1  THR  27           HG1      THR  27   8.305  -4.087 -18.955
  191   HG21  THR  27          HG21      THR  27   5.278  -3.554 -17.486
  192   HG22  THR  27          HG22      THR  27   6.498  -4.754 -17.007
  193   HG23  THR  27          HG23      THR  27   6.193  -3.365 -15.975
  194    H    GLU  28           H        GLU  28   6.211  -2.446 -20.068
  195    HA   GLU  28           HA       GLU  28   4.573  -0.402 -21.135
  196    HB2  GLU  28           HB2      GLU  28   3.732  -2.087 -22.693
  197    HB3  GLU  28           HB3      GLU  28   5.501  -2.089 -22.515
  198    HG2  GLU  28           HG2      GLU  28   5.330  -4.084 -21.018
  199    HG3  GLU  28           HG3      GLU  28   3.574  -4.077 -21.232
  200    H    GLY  29           H        GLY  29   3.701  -2.963 -18.899
  201    HA2  GLY  29           HA2      GLY  29   0.887  -2.007 -18.752
  202    HA3  GLY  29           HA3      GLY  29   1.507  -3.553 -18.089
  203    H    GLY  30           H        GLY  30   3.296  -0.620 -17.582
  204    HA2  GLY  30           HA2      GLY  30   3.410   0.898 -15.780
  205    HA3  GLY  30           HA3      GLY  30   2.013   0.110 -15.054
  206    H    LEU  31           H        LEU  31   2.681  -0.048 -13.031
  207    HA   LEU  31           HA       LEU  31   5.466  -0.672 -12.404
  208    HB2  LEU  31           HB2      LEU  31   3.087  -0.209 -10.560
  209    HB3  LEU  31           HB3      LEU  31   4.798  -0.217 -10.090
  210    HG   LEU  31           HG       LEU  31   3.382   1.825 -11.865
  211   HD11  LEU  31          HD11      LEU  31   4.682   2.110  -9.120
  212   HD12  LEU  31          HD12      LEU  31   3.885   3.399 -10.049
  213   HD13  LEU  31          HD13      LEU  31   2.934   2.035  -9.435
  214   HD21  LEU  31          HD21      LEU  31   5.641   1.567 -12.731
  215   HD22  LEU  31          HD22      LEU  31   5.540   3.077 -11.826
  216   HD23  LEU  31          HD23      LEU  31   6.329   1.665 -11.093
  217    H    LYS  32           H        LYS  32   6.119  -2.767 -12.721
  218    HA   LYS  32           HA       LYS  32   4.528  -5.008 -11.709
  219    HB2  LYS  32           HB2      LYS  32   6.063  -4.941 -13.796
  220    HB3  LYS  32           HB3      LYS  32   7.391  -5.112 -12.642
  221    HG2  LYS  32           HG2      LYS  32   6.131  -7.193 -11.745
  222    HG3  LYS  32           HG3      LYS  32   5.075  -6.988 -13.159
  223    HD2  LYS  32           HD2      LYS  32   6.697  -8.583 -13.809
  224    HD3  LYS  32           HD3      LYS  32   7.134  -7.067 -14.616
  225    HE2  LYS  32           HE2      LYS  32   8.717  -6.654 -12.596
  226    HE3  LYS  32           HE3      LYS  32   8.394  -8.346 -12.145
  227    HZ1  LYS  32           HZ1      LYS  32   9.736  -7.222 -14.534
  228    HZ2  LYS  32           HZ2      LYS  32  10.345  -8.327 -13.537
  229    HZ3  LYS  32           HZ3      LYS  32   9.145  -8.756 -14.611
  230    H    PHE  33           H        PHE  33   4.459  -5.421  -9.574
  231    HA   PHE  33           HA       PHE  33   6.655  -4.599  -7.768
  232    HB2  PHE  33           HB2      PHE  33   3.951  -4.165  -7.685
  233    HB3  PHE  33           HB3      PHE  33   3.996  -5.719  -6.851
  234    HD1  PHE  33           HD1      PHE  33   6.263  -2.742  -6.739
  235    HD2  PHE  33           HD2      PHE  33   3.431  -5.172  -4.631
  236    HE1  PHE  33           HE1      PHE  33   6.681  -1.408  -4.638
  237    HE2  PHE  33           HE2      PHE  33   3.848  -3.855  -2.554
  238    HZ   PHE  33           HZ       PHE  33   5.502  -2.009  -2.559
  239    H    THR  34           H        THR  34   8.099  -6.123  -6.945
  240    HA   THR  34           HA       THR  34   7.156  -8.999  -7.048
  241    HB   THR  34           HB       THR  34   9.950  -8.085  -7.627
  242    HG1  THR  34           HG1      THR  34   8.715  -7.401  -9.263
  243   HG21  THR  34          HG21      THR  34   8.516 -10.753  -7.913
  244   HG22  THR  34          HG22      THR  34  10.135 -10.395  -8.547
  245   HG23  THR  34          HG23      THR  34   9.846 -10.378  -6.801
  246    HA   PRO  35           HA       PRO  35   8.330  -8.191  -2.764
  247    HB2  PRO  35           HB2      PRO  35   6.665  -9.899  -1.518
  248    HB3  PRO  35           HB3      PRO  35   6.025  -8.501  -2.446
  249    HG2  PRO  35           HG2      PRO  35   6.305 -11.391  -3.344
  250    HG3  PRO  35           HG3      PRO  35   4.857 -10.337  -3.471
  251    HD2  PRO  35           HD2      PRO  35   6.648 -10.695  -5.530
  252    HD3  PRO  35           HD3      PRO  35   5.757  -9.161  -5.272
  253    H    HIS  36           H        HIS  36   9.502  -9.152  -1.046
  254    HA   HIS  36           HA       HIS  36  10.119 -12.033  -1.223
  255    HB2  HIS  36           HB2      HIS  36  12.403 -11.861  -1.553
  256    HB3  HIS  36           HB3      HIS  36  11.770 -10.639  -2.645
  257    HD1  HIS  36           HD1      HIS  36  14.352 -11.041  -0.090
  258    HD2  HIS  36           HD2      HIS  36  11.891  -7.987  -1.524
  259    HE1  HIS  36           HE1      HIS  36  15.420  -8.865   0.752
  260    H    LEU  37           H        LEU  37   8.475 -10.808   0.675
  261    HA   LEU  37           HA       LEU  37  10.088 -10.330   3.131
  262    HB2  LEU  37           HB2      LEU  37   7.096 -10.098   2.841
  263    HB3  LEU  37           HB3      LEU  37   8.150  -9.477   4.129
  264    HG   LEU  37           HG       LEU  37   9.144  -8.152   1.891
  265   HD11  LEU  37          HD11      LEU  37   6.096  -8.363   1.659
  266   HD12  LEU  37          HD12      LEU  37   7.107  -7.173   0.829
  267   HD13  LEU  37          HD13      LEU  37   7.304  -8.892   0.460
  268   HD21  LEU  37          HD21      LEU  37   8.740  -7.168   4.108
  269   HD22  LEU  37          HD22      LEU  37   7.982  -6.195   2.850
  270   HD23  LEU  37          HD23      LEU  37   6.972  -7.254   3.849
  271    H    LYS  38           H        LYS  38   9.380 -11.374   5.232
  272    HA   LYS  38           HA       LYS  38   8.288 -14.115   4.869
  273    HB2  LYS  38           HB2      LYS  38  10.291 -15.131   5.812
  274    HB3  LYS  38           HB3      LYS  38  10.684 -14.255   4.362
  275    HG2  LYS  38           HG2      LYS  38  10.947 -12.535   6.764
  276    HG3  LYS  38           HG3      LYS  38  11.856 -14.047   6.947
  277    HD2  LYS  38           HD2      LYS  38  13.221 -12.220   6.003
  278    HD3  LYS  38           HD3      LYS  38  13.113 -13.627   4.934
  279    HE2  LYS  38           HE2      LYS  38  11.346 -12.473   3.590
  280    HE3  LYS  38           HE3      LYS  38  11.423 -11.081   4.643
  281    HZ1  LYS  38           HZ1      LYS  38  13.771 -12.136   3.144
  282    HZ2  LYS  38           HZ2      LYS  38  12.791 -10.972   2.571
  283    HZ3  LYS  38           HZ3      LYS  38  13.676 -10.677   3.943
  284    H    ALA  39           H        ALA  39   7.392 -11.787   6.526
  285    HA   ALA  39           HA       ALA  39   6.548 -13.358   8.804
  286    HB1  ALA  39           HB1      ALA  39   8.366 -10.980   9.408
  287    HB2  ALA  39           HB2      ALA  39   7.483 -11.958  10.586
  288    HB3  ALA  39           HB3      ALA  39   8.793 -12.688   9.648
  289    H    LEU  40           H        LEU  40   4.708 -12.787   7.379
  290    HA   LEU  40           HA       LEU  40   3.414 -10.342   8.462
  291    HB2  LEU  40           HB2      LEU  40   2.208 -11.219   5.921
  292    HB3  LEU  40           HB3      LEU  40   2.528  -9.631   6.530
  293    HG   LEU  40           HG       LEU  40   4.457 -11.537   5.090
  294   HD11  LEU  40          HD11      LEU  40   3.601  -8.890   3.882
  295   HD12  LEU  40          HD12      LEU  40   4.357 -10.338   3.166
  296   HD13  LEU  40          HD13      LEU  40   2.622 -10.333   3.698
  297   HD21  LEU  40          HD21      LEU  40   5.859  -9.923   6.341
  298   HD22  LEU  40          HD22      LEU  40   5.865  -9.714   4.590
  299   HD23  LEU  40          HD23      LEU  40   4.915  -8.589   5.596
  300    HA   PRO  41           HA       PRO  41   0.035 -13.152   9.285
  301    HB2  PRO  41           HB2      PRO  41  -2.133 -11.721   8.115
  302    HB3  PRO  41           HB3      PRO  41  -1.567 -11.595   9.803
  303    HG2  PRO  41           HG2      PRO  41  -0.863  -9.893   7.449
  304    HG3  PRO  41           HG3      PRO  41  -1.251  -9.381   9.122
  305    HD2  PRO  41           HD2      PRO  41   1.309  -9.517   8.371
  306    HD3  PRO  41           HD3      PRO  41   0.763 -10.228   9.931
  307    HA   PRO  42           HA       PRO  42   0.810 -15.213   5.723
  308    HB2  PRO  42           HB2      PRO  42  -0.027 -17.668   6.170
  309    HB3  PRO  42           HB3      PRO  42   0.879 -16.782   7.435
  310    HG2  PRO  42           HG2      PRO  42  -2.125 -16.949   7.103
  311    HG3  PRO  42           HG3      PRO  42  -1.196 -17.492   8.529
  312    HD2  PRO  42           HD2      PRO  42  -2.192 -14.955   8.458
  313    HD3  PRO  42           HD3      PRO  42  -0.552 -15.269   9.114
  314    H    GLY  43           H        GLY  43  -1.729 -13.722   5.288
  315    HA2  GLY  43           HA2      GLY  43  -2.951 -15.378   3.114
  316    HA3  GLY  43           HA3      GLY  43  -3.835 -14.176   4.072
  317    H    GLU  44           H        GLU  44  -4.578 -13.306   2.232
  318    HA   GLU  44           HA       GLU  44  -3.012 -11.901   0.270
  319    HB2  GLU  44           HB2      GLU  44  -5.943 -11.427   0.917
  320    HB3  GLU  44           HB3      GLU  44  -5.085 -11.142  -0.592
  321    HG2  GLU  44           HG2      GLU  44  -6.159 -13.072  -1.144
  322    HG3  GLU  44           HG3      GLU  44  -4.667 -13.785  -0.496
  323    H    HIS  45           H        HIS  45  -2.474  -9.697   0.120
  324    HA   HIS  45           HA       HIS  45  -3.310  -7.896   2.360
  325    HB2  HIS  45           HB2      HIS  45  -0.424  -8.213   1.308
  326    HB3  HIS  45           HB3      HIS  45  -1.000  -6.968   2.392
  327    HD1  HIS  45           HD1      HIS  45  -2.402  -8.437   4.643
  328    HD2  HIS  45           HD2      HIS  45   0.228 -10.477   2.095
  329    HE1  HIS  45           HE1      HIS  45  -1.965 -10.709   5.716
  330    HE2  HIS  45           HE2      HIS  45  -0.244 -11.909   4.224
  331    H    GLY  46           H        GLY  46  -4.121  -5.979   1.703
  332    HA2  GLY  46           HA2      GLY  46  -4.329  -5.242  -1.010
  333    HA3  GLY  46           HA3      GLY  46  -4.573  -4.142   0.367
  334    H    PHE  47           H        PHE  47  -3.237  -3.530  -2.259
  335    HA   PHE  47           HA       PHE  47  -0.649  -2.496  -1.174
  336    HB2  PHE  47           HB2      PHE  47  -0.215  -4.357  -2.647
  337    HB3  PHE  47           HB3      PHE  47  -1.376  -3.736  -3.829
  338    HD1  PHE  47           HD1      PHE  47   1.365  -1.622  -2.299
  339    HD2  PHE  47           HD2      PHE  47   0.108  -4.044  -5.625
  340    HE1  PHE  47           HE1      PHE  47   3.229  -0.683  -3.733
  341    HE2  PHE  47           HE2      PHE  47   1.897  -3.046  -7.044
  342    HZ   PHE  47           HZ       PHE  47   3.394  -1.321  -6.098
  343    H    HIS  48           H        HIS  48  -1.264  -0.420  -0.710
  344    HA   HIS  48           HA       HIS  48  -2.475   1.144  -3.002
  345    HB2  HIS  48           HB2      HIS  48  -2.297   1.955  -0.084
  346    HB3  HIS  48           HB3      HIS  48  -3.061   2.883  -1.378
  347    HD2  HIS  48           HD2      HIS  48  -4.603   0.126  -2.589
  348    HE1  HIS  48           HE1      HIS  48  -6.567   0.186   1.166
  349    HE2  HIS  48           HE2      HIS  48  -6.618  -0.717  -1.194
  350    H    ILE  49           H        ILE  49  -1.882   3.314  -3.285
  351    HA   ILE  49           HA       ILE  49   0.724   4.229  -2.196
  352    HB   ILE  49           HB       ILE  49  -0.334   4.675  -5.004
  353   HG12  ILE  49          HG12      ILE  49   2.254   3.535  -3.835
  354   HG13  ILE  49          HG13      ILE  49   0.965   2.610  -4.630
  355   HG21  ILE  49          HG21      ILE  49   1.949   6.148  -3.609
  356   HG22  ILE  49          HG22      ILE  49   1.516   6.282  -5.327
  357   HG23  ILE  49          HG23      ILE  49   0.397   6.863  -4.103
  358   HD11  ILE  49          HD11      ILE  49   2.951   4.494  -5.866
  359   HD12  ILE  49          HD12      ILE  49   2.665   2.789  -6.236
  360   HD13  ILE  49          HD13      ILE  49   1.466   3.995  -6.730
  361    H    HIS  50           H        HIS  50   0.727   6.214  -1.379
  362    HA   HIS  50           HA       HIS  50  -1.934   7.400  -0.743
  363    HB2  HIS  50           HB2      HIS  50   0.314   6.498   1.070
  364    HB3  HIS  50           HB3      HIS  50  -0.666   7.869   1.513
  365    HD1  HIS  50           HD1      HIS  50  -2.093   7.012   3.395
  366    HD2  HIS  50           HD2      HIS  50  -1.972   4.414   0.133
  367    HE1  HIS  50           HE1      HIS  50  -3.707   5.103   3.982
  368    H    ALA  51           H        ALA  51  -1.778   9.706  -0.117
  369    HA   ALA  51           HA       ALA  51  -0.713  10.835  -2.437
  370    HB1  ALA  51           HB1      ALA  51  -1.840  12.285  -0.006
  371    HB2  ALA  51           HB2      ALA  51  -1.739  12.923  -1.653
  372    HB3  ALA  51           HB3      ALA  51  -2.807  11.553  -1.307
  373    H    ASN  52           H        ASN  52   0.727  11.071   0.778
  374    HA   ASN  52           HA       ASN  52   3.171  12.159  -0.574
  375    HB2  ASN  52           HB2      ASN  52   2.075  13.059   2.106
  376    HB3  ASN  52           HB3      ASN  52   3.624  13.551   1.423
  377   HD21  ASN  52          HD21      ASN  52   0.331  14.423   1.601
  378   HD22  ASN  52          HD22      ASN  52   0.247  15.390   0.135
  379    H    GLY  53           H        GLY  53   5.195  11.779   0.619
  380    HA2  GLY  53           HA2      GLY  53   5.318   8.966   1.481
  381    HA3  GLY  53           HA3      GLY  53   6.666  10.034   1.037
  382    H    SER  54           H        SER  54   4.410   9.184   3.672
  383    HA   SER  54           HA       SER  54   6.564   9.555   5.608
  384    HB2  SER  54           HB2      SER  54   5.844  11.870   5.311
  385    HB3  SER  54           HB3      SER  54   4.195  11.429   5.745
  386    HG   SER  54           HG       SER  54   6.228  10.736   7.573
  387    H    CYS  55           H        CYS  55   6.196   7.348   5.932
  388    HA   CYS  55           HA       CYS  55   3.918   6.132   7.010
  389    HB2  CYS  55           HB2      CYS  55   6.860   5.473   7.333
  390    HB3  CYS  55           HB3      CYS  55   5.522   4.343   7.474
  391    H    GLN  56           H        GLN  56   3.900   8.423   8.525
  392    HA   GLN  56           HA       GLN  56   4.771   7.590  11.265
  393    HB2  GLN  56           HB2      GLN  56   5.091  10.301   9.926
  394    HB3  GLN  56           HB3      GLN  56   5.166  10.063  11.665
  395    HG2  GLN  56           HG2      GLN  56   7.407  10.066  11.001
  396    HG3  GLN  56           HG3      GLN  56   7.024   8.383  11.323
  397   HE21  GLN  56          HE21      GLN  56   8.434   7.272   9.895
  398   HE22  GLN  56          HE22      GLN  56   8.503   7.648   8.179
  399    HA   PRO  57           HA       PRO  57   0.565   8.621  12.234
  400    HB2  PRO  57           HB2      PRO  57   0.441   7.865  14.834
  401    HB3  PRO  57           HB3      PRO  57   0.867   6.685  13.573
  402    HG2  PRO  57           HG2      PRO  57   2.751   8.209  15.377
  403    HG3  PRO  57           HG3      PRO  57   2.702   6.452  15.010
  404    HD2  PRO  57           HD2      PRO  57   4.341   8.284  13.674
  405    HD3  PRO  57           HD3      PRO  57   3.725   6.781  12.936
  406    H    ALA  58           H        ALA  58  -0.799   9.878  13.661
  407    HA   ALA  58           HA       ALA  58   0.550  12.102  15.133
  408    HB1  ALA  58           HB1      ALA  58  -2.185  12.118  13.773
  409    HB2  ALA  58           HB2      ALA  58  -1.469  13.445  14.721
  410    HB3  ALA  58           HB3      ALA  58  -0.730  12.953  13.191
  411    H    ILE  59           H        ILE  59  -0.149  12.458  17.239
  412    HA   ILE  59           HA       ILE  59  -1.838  10.298  18.440
  413    HB   ILE  59           HB       ILE  59  -0.055  12.103  20.062
  414   HG12  ILE  59          HG12      ILE  59   1.533  11.259  18.460
  415   HG13  ILE  59          HG13      ILE  59   1.770  10.542  20.037
  416   HG21  ILE  59          HG21      ILE  59  -1.109   9.272  20.449
  417   HG22  ILE  59          HG22      ILE  59  -0.073  10.160  21.587
  418   HG23  ILE  59          HG23      ILE  59  -1.704  10.741  21.239
  419   HD11  ILE  59          HD11      ILE  59   0.439   9.147  17.677
  420   HD12  ILE  59          HD12      ILE  59   2.096   8.902  18.247
  421   HD13  ILE  59          HD13      ILE  59   0.741   8.439  19.286
  422    H    LYS  60           H        LYS  60  -3.535  11.692  17.300
  423    HA   LYS  60           HA       LYS  60  -4.589  13.904  18.973
  424    HB2  LYS  60           HB2      LYS  60  -5.493  12.533  16.425
  425    HB3  LYS  60           HB3      LYS  60  -6.706  13.223  17.486
  426    HG2  LYS  60           HG2      LYS  60  -6.324  14.982  16.060
  427    HG3  LYS  60           HG3      LYS  60  -5.384  15.404  17.472
  428    HD2  LYS  60           HD2      LYS  60  -4.017  15.965  15.640
  429    HD3  LYS  60           HD3      LYS  60  -3.336  14.472  16.260
  430    HE2  LYS  60           HE2      LYS  60  -3.344  14.336  13.857
  431    HE3  LYS  60           HE3      LYS  60  -4.575  13.210  14.436
  432    HZ1  LYS  60           HZ1      LYS  60  -5.145  15.955  13.460
  433    HZ2  LYS  60           HZ2      LYS  60  -5.179  14.597  12.521
  434    HZ3  LYS  60           HZ3      LYS  60  -6.263  14.807  13.774
  435    H    ASP  61           H        ASP  61  -6.572  13.687  20.160
  436    HA   ASP  61           HA       ASP  61  -7.666  12.831  21.930
  437    HB2  ASP  61           HB2      ASP  61  -8.776  11.931  19.803
  438    HB3  ASP  61           HB3      ASP  61  -8.066  10.369  20.192
  439    H    GLY  62           H        GLY  62  -4.723  12.073  21.857
  440    HA2  GLY  62           HA2      GLY  62  -3.239  11.012  23.269
  441    HA3  GLY  62           HA3      GLY  62  -4.604  10.402  24.219
  442    H    GLN  63           H        GLN  63  -4.529   9.620  20.779
  443    HA   GLN  63           HA       GLN  63  -3.373   6.940  21.301
  444    HB2  GLN  63           HB2      GLN  63  -5.292   5.803  20.342
  445    HB3  GLN  63           HB3      GLN  63  -5.752   6.736  21.758
  446    HG2  GLN  63           HG2      GLN  63  -6.321   8.575  19.816
  447    HG3  GLN  63           HG3      GLN  63  -6.519   7.106  18.874
  448   HE21  GLN  63          HE21      GLN  63  -7.499   8.527  22.096
  449   HE22  GLN  63          HE22      GLN  63  -9.147   8.022  21.921
  450    H    ALA  64           H        ALA  64  -2.555   5.864  19.446
  451    HA   ALA  64           HA       ALA  64  -1.474   7.901  17.659
  452    HB1  ALA  64           HB1      ALA  64  -0.756   4.980  18.015
  453    HB2  ALA  64           HB2      ALA  64   0.214   6.210  17.180
  454    HB3  ALA  64           HB3      ALA  64  -0.050   6.317  18.933
  455    H    VAL  65           H        VAL  65  -2.627   8.429  15.922
  456    HA   VAL  65           HA       VAL  65  -4.138   6.545  14.301
  457    HB   VAL  65           HB       VAL  65  -3.247   9.383  13.615
  458   HG11  VAL  65          HG11      VAL  65  -5.465   7.627  12.447
  459   HG12  VAL  65          HG12      VAL  65  -5.173   9.332  12.040
  460   HG13  VAL  65          HG13      VAL  65  -3.975   8.111  11.609
  461   HG21  VAL  65          HG21      VAL  65  -4.593   9.407  15.673
  462   HG22  VAL  65          HG22      VAL  65  -5.531  10.048  14.326
  463   HG23  VAL  65          HG23      VAL  65  -5.832   8.394  14.902
  464    H    ALA  66           H        ALA  66  -2.793   4.952  13.721
  465    HA   ALA  66           HA       ALA  66  -0.400   4.356  13.276
  466    HB1  ALA  66           HB1      ALA  66  -2.460   3.619  11.167
  467    HB2  ALA  66           HB2      ALA  66  -0.975   2.719  11.551
  468    HB3  ALA  66           HB3      ALA  66  -2.262   2.857  12.761
  469    H    ALA  67           H        ALA  67  -1.782   6.162  10.515
  470    HA   ALA  67           HA       ALA  67   0.678   7.511  10.377
  471    HB1  ALA  67           HB1      ALA  67   0.072   6.131   7.731
  472    HB2  ALA  67           HB2      ALA  67   1.425   7.192   8.124
  473    HB3  ALA  67           HB3      ALA  67   1.328   5.592   8.874
  474    H    GLU  68           H        GLU  68   0.140   9.592  10.115
  475    HA   GLU  68           HA       GLU  68  -2.450  10.291   8.745
  476    HB2  GLU  68           HB2      GLU  68  -2.396  11.054  11.058
  477    HB3  GLU  68           HB3      GLU  68  -0.854  11.882  10.801
  478    HG2  GLU  68           HG2      GLU  68  -1.872  13.467   9.268
  479    HG3  GLU  68           HG3      GLU  68  -3.361  12.527   9.199
  480    H    ALA  69           H        ALA  69   1.001  11.299   9.052
  481    HA   ALA  69           HA       ALA  69   0.852  13.403   7.188
  482    HB1  ALA  69           HB1      ALA  69   3.182  11.732   8.212
  483    HB2  ALA  69           HB2      ALA  69   3.348  13.280   7.357
  484    HB3  ALA  69           HB3      ALA  69   2.540  13.223   8.935
  485    H    ALA  70           H        ALA  70   1.034  10.031   6.459
  486    HA   ALA  70           HA       ALA  70   2.044  10.165   3.796
  487    HB1  ALA  70           HB1      ALA  70   0.035   8.246   5.057
  488    HB2  ALA  70           HB2      ALA  70   0.945   7.967   3.553
  489    HB3  ALA  70           HB3      ALA  70   1.805   8.070   5.096
  490    H    GLY  71           H        GLY  71  -0.819  11.627   4.959
  491    HA2  GLY  71           HA2      GLY  71  -1.993  13.144   3.611
  492    HA3  GLY  71           HA3      GLY  71  -1.518  12.268   2.167
  493    H    GLY  72           H        GLY  72  -2.439   9.699   3.272
  494    HA2  GLY  72           HA2      GLY  72  -4.604   8.557   3.655
  495    HA3  GLY  72           HA3      GLY  72  -5.417   9.955   2.925
  496    H    HIS  73           H        HIS  73  -6.386   8.146   1.580
  497    HA   HIS  73           HA       HIS  73  -4.741   6.855  -0.469
  498    HB2  HIS  73           HB2      HIS  73  -7.732   7.339  -0.246
  499    HB3  HIS  73           HB3      HIS  73  -6.977   6.728  -1.709
  500    HD2  HIS  73           HD2      HIS  73  -6.319   5.573   1.939
  501    HE1  HIS  73           HE1      HIS  73  -7.788   2.172  -0.131
  502    HE2  HIS  73           HE2      HIS  73  -6.861   3.053   2.076
  503    H    LEU  74           H        LEU  74  -4.462   7.487  -2.580
  504    HA   LEU  74           HA       LEU  74  -4.276  10.330  -3.073
  505    HB2  LEU  74           HB2      LEU  74  -2.530   8.747  -3.568
  506    HB3  LEU  74           HB3      LEU  74  -3.563   7.786  -4.598
  507    HG   LEU  74           HG       LEU  74  -3.589   9.610  -6.289
  508   HD11  LEU  74          HD11      LEU  74  -1.694  11.066  -4.393
  509   HD12  LEU  74          HD12      LEU  74  -2.092  11.556  -6.051
  510   HD13  LEU  74          HD13      LEU  74  -3.343  11.588  -4.801
  511   HD21  LEU  74          HD21      LEU  74  -1.861   7.866  -6.358
  512   HD22  LEU  74          HD22      LEU  74  -1.181   9.420  -6.889
  513   HD23  LEU  74          HD23      LEU  74  -0.834   8.806  -5.260
  514    H    ASP  75           H        ASP  75  -6.647  10.705  -2.801
  515    HA   ASP  75           HA       ASP  75  -7.886  10.812  -5.518
  516    HB2  ASP  75           HB2      ASP  75  -9.869  11.864  -4.415
  517    HB3  ASP  75           HB3      ASP  75  -9.708  10.158  -4.287
  518    HA   PRO  76           HA       PRO  76  -6.722  15.191  -5.270
  519    HB2  PRO  76           HB2      PRO  76  -6.077  15.497  -7.912
  520    HB3  PRO  76           HB3      PRO  76  -4.912  14.916  -6.685
  521    HG2  PRO  76           HG2      PRO  76  -6.510  13.298  -8.678
  522    HG3  PRO  76           HG3      PRO  76  -4.788  13.123  -8.226
  523    HD2  PRO  76           HD2      PRO  76  -6.803  11.563  -7.163
  524    HD3  PRO  76           HD3      PRO  76  -5.320  11.973  -6.268
  525    H    GLN  77           H        GLN  77  -8.420  13.399  -7.891
  526    HA   GLN  77           HA       GLN  77 -10.907  14.880  -7.574
  527    HB2  GLN  77           HB2      GLN  77 -10.850  16.019  -9.754
  528    HB3  GLN  77           HB3      GLN  77  -9.657  16.597  -8.626
  529    HG2  GLN  77           HG2      GLN  77  -8.162  14.716 -10.025
  530    HG3  GLN  77           HG3      GLN  77  -9.308  15.213 -11.255
  531   HE21  GLN  77          HE21      GLN  77  -6.953  15.873 -12.154
  532   HE22  GLN  77          HE22      GLN  77  -6.428  17.481 -11.654
  533    H    ASN  78           H        ASN  78  -9.447  12.012  -8.411
  534    HA   ASN  78           HA       ASN  78 -10.884  11.164 -10.694
  535    HB2  ASN  78           HB2      ASN  78  -9.752   9.521  -8.378
  536    HB3  ASN  78           HB3      ASN  78 -10.198   8.900  -9.961
  537   HD21  ASN  78          HD21      ASN  78  -8.506   8.707 -11.435
  538   HD22  ASN  78          HD22      ASN  78  -7.045   9.662 -11.343
  539    H    THR  79           H        THR  79 -11.845  11.345  -7.431
  540    HA   THR  79           HA       THR  79 -14.125  11.044  -6.535
  541    HB   THR  79           HB       THR  79 -14.018   8.535  -8.205
  542    HG1  THR  79           HG1      THR  79 -15.858   9.388  -9.044
  543   HG21  THR  79          HG21      THR  79 -16.002   9.218  -6.014
  544   HG22  THR  79          HG22      THR  79 -16.244   7.971  -7.257
  545   HG23  THR  79          HG23      THR  79 -14.917   7.799  -6.115
  546    H    GLY  80           H        GLY  80 -14.153  10.219  -4.465
  547    HA2  GLY  80           HA2      GLY  80 -11.609   9.059  -3.497
  548    HA3  GLY  80           HA3      GLY  80 -12.881   9.848  -2.536
  549    H    LYS  81           H        LYS  81 -14.793   7.972  -4.150
  550    HA   LYS  81           HA       LYS  81 -15.273   6.185  -2.035
  551    HB2  LYS  81           HB2      LYS  81 -16.330   6.360  -4.877
  552    HB3  LYS  81           HB3      LYS  81 -16.900   5.132  -3.748
  553    HG2  LYS  81           HG2      LYS  81 -17.630   6.789  -2.144
  554    HG3  LYS  81           HG3      LYS  81 -16.977   8.108  -3.130
  555    HD2  LYS  81           HD2      LYS  81 -18.601   7.742  -4.871
  556    HD3  LYS  81           HD3      LYS  81 -19.109   6.201  -4.167
  557    HE2  LYS  81           HE2      LYS  81 -20.770   7.965  -3.732
  558    HE3  LYS  81           HE3      LYS  81 -20.095   7.313  -2.236
  559    HZ1  LYS  81           HZ1      LYS  81 -19.269   9.874  -3.494
  560    HZ2  LYS  81           HZ2      LYS  81 -20.229   9.710  -2.170
  561    HZ3  LYS  81           HZ3      LYS  81 -18.666   9.261  -2.090
  562    H    HIS  82           H        HIS  82 -12.834   5.641  -4.270
  563    HA   HIS  82           HA       HIS  82 -11.214   4.089  -4.163
  564    HB2  HIS  82           HB2      HIS  82 -11.751   3.823  -1.793
  565    HB3  HIS  82           HB3      HIS  82 -12.944   2.585  -2.169
  566    HD2  HIS  82           HD2      HIS  82 -12.247   0.167  -2.326
  567    HE1  HIS  82           HE1      HIS  82  -8.043   0.532  -2.497
  568    HE2  HIS  82           HE2      HIS  82  -9.976  -1.074  -2.301
  569    H    GLU  83           H        GLU  83 -10.467   2.203  -5.133
  570    HA   GLU  83           HA       GLU  83 -12.106   1.370  -7.400
  571    HB2  GLU  83           HB2      GLU  83  -9.601   2.157  -7.316
  572    HB3  GLU  83           HB3      GLU  83  -9.269   0.562  -6.665
  573    HG2  GLU  83           HG2      GLU  83  -8.800   0.277  -8.898
  574    HG3  GLU  83           HG3      GLU  83 -10.459  -0.316  -8.852
  575    H    GLY  84           H        GLY  84 -12.596  -0.885  -7.941
  576    HA2  GLY  84           HA2      GLY  84 -11.437  -3.084  -6.613
  577    HA3  GLY  84           HA3      GLY  84 -12.879  -2.733  -5.724
  578    HA   PRO  85           HA       PRO  85 -14.567  -5.588  -8.769
  579    HB2  PRO  85           HB2      PRO  85 -17.190  -5.635  -8.031
  580    HB3  PRO  85           HB3      PRO  85 -15.897  -6.331  -7.006
  581    HG2  PRO  85           HG2      PRO  85 -17.188  -3.590  -6.782
  582    HG3  PRO  85           HG3      PRO  85 -16.919  -4.795  -5.480
  583    HD2  PRO  85           HD2      PRO  85 -15.195  -2.717  -5.925
  584    HD3  PRO  85           HD3      PRO  85 -14.617  -4.322  -5.389
  585    H    GLU  86           H        GLU  86 -15.509  -2.268  -8.505
  586    HA   GLU  86           HA       GLU  86 -16.242  -2.159 -11.364
  587    HB2  GLU  86           HB2      GLU  86 -17.375  -0.416  -9.128
  588    HB3  GLU  86           HB3      GLU  86 -17.652  -0.186 -10.849
  589    HG2  GLU  86           HG2      GLU  86 -18.591  -2.565  -9.179
  590    HG3  GLU  86           HG3      GLU  86 -19.581  -1.212  -9.709
  591    H    GLY  87           H        GLY  87 -15.431  -0.129 -12.293
  592    HA2  GLY  87           HA2      GLY  87 -12.942   0.842 -10.951
  593    HA3  GLY  87           HA3      GLY  87 -13.291   0.928 -12.686
  594    H    GLN  88           H        GLN  88 -12.982   2.761 -10.054
  595    HA   GLN  88           HA       GLN  88 -13.782   5.180 -11.084
  596    HB2  GLN  88           HB2      GLN  88 -16.160   3.796 -10.160
  597    HB3  GLN  88           HB3      GLN  88 -15.932   5.162  -9.130
  598    HG2  GLN  88           HG2      GLN  88 -16.093   5.245 -12.166
  599    HG3  GLN  88           HG3      GLN  88 -17.375   5.665 -11.039
  600   HE21  GLN  88          HE21      GLN  88 -14.522   7.043  -9.687
  601   HE22  GLN  88          HE22      GLN  88 -14.544   8.545 -10.582
  602    H    GLY  89           H        GLY  89 -11.834   3.810  -9.194
  603    HA2  GLY  89           HA2      GLY  89 -12.082   5.578  -6.785
  604    HA3  GLY  89           HA3      GLY  89 -11.204   4.047  -6.940
  605    H    HIS  90           H        HIS  90  -9.454   4.894  -5.995
  606    HA   HIS  90           HA       HIS  90  -8.062   7.222  -7.004
  607    HB2  HIS  90           HB2      HIS  90  -6.916   5.073  -5.189
  608    HB3  HIS  90           HB3      HIS  90  -6.462   6.752  -5.298
  609    HD2  HIS  90           HD2      HIS  90  -8.469   8.535  -4.603
  610    HE1  HIS  90           HE1      HIS  90 -10.123   6.068  -1.573
  611    HE2  HIS  90           HE2      HIS  90  -9.872   8.464  -2.434
  612    H    LEU  91           H        LEU  91  -6.361   7.312  -8.441
  613    HA   LEU  91           HA       LEU  91  -5.447   4.993  -9.869
  614    HB2  LEU  91           HB2      LEU  91  -3.849   6.423 -10.896
  615    HB3  LEU  91           HB3      LEU  91  -5.386   7.241 -10.768
  616    HG   LEU  91           HG       LEU  91  -4.280   8.310  -8.564
  617   HD11  LEU  91          HD11      LEU  91  -1.884   7.585 -10.320
  618   HD12  LEU  91          HD12      LEU  91  -1.846   8.765  -9.002
  619   HD13  LEU  91          HD13      LEU  91  -2.156   7.060  -8.646
  620   HD21  LEU  91          HD21      LEU  91  -5.087   9.578 -10.510
  621   HD22  LEU  91          HD22      LEU  91  -3.526  10.205  -9.965
  622   HD23  LEU  91          HD23      LEU  91  -3.610   9.173 -11.413
  623    H    GLY  92           H        GLY  92  -4.609   6.209  -6.751
  624    HA2  GLY  92           HA2      GLY  92  -2.233   4.509  -6.434
  625    HA3  GLY  92           HA3      GLY  92  -2.982   5.543  -5.195
  626    H    ASP  93           H        ASP  93  -4.935   3.142  -6.957
  627    HA   ASP  93           HA       ASP  93  -4.756   1.285  -4.617
  628    HB2  ASP  93           HB2      ASP  93  -7.102   1.858  -6.454
  629    HB3  ASP  93           HB3      ASP  93  -7.047   0.534  -5.288
  630    H    LEU  94           H        LEU  94  -4.073  -0.762  -5.014
  631    HA   LEU  94           HA       LEU  94  -3.407  -1.568  -7.795
  632    HB2  LEU  94           HB2      LEU  94  -1.407  -1.583  -5.500
  633    HB3  LEU  94           HB3      LEU  94  -1.104  -1.861  -7.178
  634    HG   LEU  94           HG       LEU  94  -1.933   0.685  -7.413
  635   HD11  LEU  94          HD11      LEU  94  -2.407   1.034  -5.049
  636   HD12  LEU  94          HD12      LEU  94  -0.728   0.630  -4.646
  637   HD13  LEU  94          HD13      LEU  94  -1.112   2.077  -5.617
  638   HD21  LEU  94          HD21      LEU  94   0.366  -0.270  -7.998
  639   HD22  LEU  94          HD22      LEU  94   0.403   1.381  -7.361
  640   HD23  LEU  94          HD23      LEU  94   0.819   0.014  -6.310
  641    HA   PRO  95           HA       PRO  95  -4.703  -5.503  -6.561
  642    HB2  PRO  95           HB2      PRO  95  -3.260  -7.330  -7.971
  643    HB3  PRO  95           HB3      PRO  95  -4.285  -6.095  -8.768
  644    HG2  PRO  95           HG2      PRO  95  -1.297  -5.996  -8.256
  645    HG3  PRO  95           HG3      PRO  95  -2.173  -5.653  -9.783
  646    HD2  PRO  95           HD2      PRO  95  -1.368  -3.728  -8.014
  647    HD3  PRO  95           HD3      PRO  95  -2.845  -3.533  -9.017
  648    H    VAL  96           H        VAL  96  -4.336  -7.600  -5.488
  649    HA   VAL  96           HA       VAL  96  -3.023  -6.899  -3.102
  650    HB   VAL  96           HB       VAL  96  -3.748  -9.160  -2.220
  651   HG11  VAL  96          HG11      VAL  96  -5.852  -7.339  -3.466
  652   HG12  VAL  96          HG12      VAL  96  -6.118  -8.498  -2.146
  653   HG13  VAL  96          HG13      VAL  96  -5.055  -7.110  -1.897
  654   HG21  VAL  96          HG21      VAL  96  -3.872 -10.370  -4.421
  655   HG22  VAL  96          HG22      VAL  96  -5.363 -10.442  -3.468
  656   HG23  VAL  96          HG23      VAL  96  -5.253  -9.348  -4.862
  657    H    LEU  97           H        LEU  97  -1.363  -7.392  -2.078
  658    HA   LEU  97           HA       LEU  97   0.955  -8.803  -3.150
  659    HB2  LEU  97           HB2      LEU  97   0.819  -6.525  -1.997
  660    HB3  LEU  97           HB3      LEU  97   0.344  -7.308  -0.552
  661    HG   LEU  97           HG       LEU  97   2.449  -7.371   0.085
  662   HD11  LEU  97          HD11      LEU  97   3.154  -9.051  -2.357
  663   HD12  LEU  97          HD12      LEU  97   4.187  -8.789  -0.935
  664   HD13  LEU  97          HD13      LEU  97   2.686  -9.687  -0.756
  665   HD21  LEU  97          HD21      LEU  97   2.756  -5.458  -1.388
  666   HD22  LEU  97          HD22      LEU  97   4.247  -6.402  -1.228
  667   HD23  LEU  97          HD23      LEU  97   3.267  -6.539  -2.706
  668    H    VAL  98           H        VAL  98  -0.281 -10.913  -3.185
  669    HA   VAL  98           HA       VAL  98  -1.193 -12.140  -0.752
  670    HB   VAL  98           HB       VAL  98  -0.425 -13.401  -3.408
  671   HG11  VAL  98          HG11      VAL  98  -1.947 -14.608  -1.042
  672   HG12  VAL  98          HG12      VAL  98  -1.862 -15.329  -2.665
  673   HG13  VAL  98          HG13      VAL  98  -0.393 -15.174  -1.704
  674   HG21  VAL  98          HG21      VAL  98  -2.278 -11.821  -3.602
  675   HG22  VAL  98          HG22      VAL  98  -2.900 -13.464  -3.748
  676   HG23  VAL  98          HG23      VAL  98  -3.114 -12.571  -2.226
  677    H    VAL  99           H        VAL  99  -0.247 -13.385   0.770
  678    HA   VAL  99           HA       VAL  99   2.457 -14.507   0.221
  679    HB   VAL  99           HB       VAL  99   3.122 -14.494   2.448
  680   HG11  VAL  99          HG11      VAL  99   1.846 -11.806   2.405
  681   HG12  VAL  99          HG12      VAL  99   3.487 -12.279   2.964
  682   HG13  VAL  99          HG13      VAL  99   3.078 -12.197   1.221
  683   HG21  VAL  99          HG21      VAL  99   1.134 -15.094   3.620
  684   HG22  VAL  99          HG22      VAL  99   1.976 -13.737   4.378
  685   HG23  VAL  99          HG23      VAL  99   0.505 -13.442   3.447
  686    H    ASN 100           H        ASN 100   2.794 -16.580   1.367
  687    HA   ASN 100           HA       ASN 100   0.371 -18.279   1.100
  688    HB2  ASN 100           HB2      ASN 100   1.756 -20.075   0.740
  689    HB3  ASN 100           HB3      ASN 100   2.687 -18.778  -0.002
  690   HD21  ASN 100          HD21      ASN 100   4.609 -17.931   1.279
  691   HD22  ASN 100          HD22      ASN 100   5.313 -19.056   2.442
  692    H    ASN 101           H        ASN 101   0.171 -20.079   2.669
  693    HA   ASN 101           HA       ASN 101  -0.652 -19.404   5.099
  694    HB2  ASN 101           HB2      ASN 101  -1.164 -21.569   5.339
  695    HB3  ASN 101           HB3      ASN 101  -0.655 -21.669   3.660
  696   HD21  ASN 101          HD21      ASN 101   2.119 -21.877   3.720
  697   HD22  ASN 101          HD22      ASN 101   2.651 -22.969   4.971
  698    H    ASP 102           H        ASP 102   2.717 -19.595   4.570
  699    HA   ASP 102           HA       ASP 102   3.484 -20.015   7.419
  700    HB2  ASP 102           HB2      ASP 102   4.931 -20.120   4.758
  701    HB3  ASP 102           HB3      ASP 102   5.837 -19.800   6.218
  702    H    GLY 103           H        GLY 103   2.724 -17.355   5.448
  703    HA2  GLY 103           HA2      GLY 103   2.824 -15.094   6.136
  704    HA3  GLY 103           HA3      GLY 103   4.096 -15.486   7.301
  705    H    ILE 104           H        ILE 104   4.451 -16.520   3.971
  706    HA   ILE 104           HA       ILE 104   6.585 -14.446   3.596
  707    HB   ILE 104           HB       ILE 104   6.605 -17.413   2.834
  708   HG12  ILE 104          HG12      ILE 104   8.627 -16.267   4.749
  709   HG13  ILE 104          HG13      ILE 104   7.054 -16.724   5.365
  710   HG21  ILE 104          HG21      ILE 104   8.871 -15.412   2.483
  711   HG22  ILE 104          HG22      ILE 104   8.946 -17.144   2.128
  712   HG23  ILE 104          HG23      ILE 104   7.890 -16.113   1.177
  713   HD11  ILE 104          HD11      ILE 104   9.017 -18.558   3.933
  714   HD12  ILE 104          HD12      ILE 104   8.589 -18.563   5.653
  715   HD13  ILE 104          HD13      ILE 104   7.378 -19.025   4.442
  716    H    ALA 105           H        ALA 105   6.795 -13.429   1.830
  717    HA   ALA 105           HA       ALA 105   4.616 -13.601  -0.175
  718    HB1  ALA 105           HB1      ALA 105   6.582 -11.324   0.373
  719    HB2  ALA 105           HB2      ALA 105   5.000 -11.242  -0.439
  720    HB3  ALA 105           HB3      ALA 105   5.116 -11.508   1.313
  721    H    THR 106           H        THR 106   5.124 -14.328  -2.171
  722    HA   THR 106           HA       THR 106   7.525 -13.393  -3.541
  723    HB   THR 106           HB       THR 106   8.225 -15.407  -2.198
  724    HG1  THR 106           HG1      THR 106   9.355 -16.107  -4.243
  725   HG21  THR 106          HG21      THR 106   6.882 -16.975  -4.442
  726   HG22  THR 106          HG22      THR 106   7.916 -17.602  -3.149
  727   HG23  THR 106          HG23      THR 106   6.324 -16.934  -2.757
  728    H    GLU 107           H        GLU 107   4.500 -13.318  -3.803
  729    HA   GLU 107           HA       GLU 107   4.062 -14.517  -6.470
  730    HB2  GLU 107           HB2      GLU 107   2.257 -13.010  -4.557
  731    HB3  GLU 107           HB3      GLU 107   1.752 -13.557  -6.152
  732    HG2  GLU 107           HG2      GLU 107   2.837 -15.545  -4.120
  733    HG3  GLU 107           HG3      GLU 107   1.182 -14.970  -4.029
  734    HA   PRO 108           HA       PRO 108   5.285 -10.303  -7.971
  735    HB2  PRO 108           HB2      PRO 108   5.638 -10.915 -10.594
  736    HB3  PRO 108           HB3      PRO 108   6.827 -11.346  -9.333
  737    HG2  PRO 108           HG2      PRO 108   4.675 -13.119 -10.529
  738    HG3  PRO 108           HG3      PRO 108   6.410 -13.494 -10.282
  739    HD2  PRO 108           HD2      PRO 108   4.472 -14.277  -8.534
  740    HD3  PRO 108           HD3      PRO 108   6.102 -13.791  -7.978
  741    H    VAL 109           H        VAL 109   3.991  -8.668  -8.743
  742    HA   VAL 109           HA       VAL 109   1.548  -9.318 -10.346
  743    HB   VAL 109           HB       VAL 109   0.173  -7.811  -9.004
  744   HG11  VAL 109          HG11      VAL 109   1.316 -10.024  -7.257
  745   HG12  VAL 109          HG12      VAL 109  -0.283  -9.265  -7.127
  746   HG13  VAL 109          HG13      VAL 109   0.113 -10.244  -8.549
  747   HG21  VAL 109          HG21      VAL 109   1.888  -6.363  -7.989
  748   HG22  VAL 109          HG22      VAL 109   0.836  -7.063  -6.755
  749   HG23  VAL 109          HG23      VAL 109   2.467  -7.720  -6.995
  750    H    THR 110           H        THR 110   0.497  -7.252 -11.229
  751    HA   THR 110           HA       THR 110   2.466  -5.074 -11.717
  752    HB   THR 110           HB       THR 110   0.772  -6.196 -13.969
  753    HG1  THR 110           HG1      THR 110   2.608  -7.274 -14.666
  754   HG21  THR 110          HG21      THR 110   3.377  -4.590 -13.954
  755   HG22  THR 110          HG22      THR 110   2.409  -5.030 -15.377
  756   HG23  THR 110          HG23      THR 110   1.763  -3.894 -14.188
  757    H    ALA 111           H        ALA 111   1.635  -3.105 -11.609
  758    HA   ALA 111           HA       ALA 111  -1.343  -2.801 -11.538
  759    HB1  ALA 111           HB1      ALA 111   0.844  -1.210 -10.159
  760    HB2  ALA 111           HB2      ALA 111  -0.909  -0.958  -9.998
  761    HB3  ALA 111           HB3      ALA 111  -0.158  -2.459  -9.407
  762    HA   PRO 112           HA       PRO 112  -0.636   0.192 -14.929
  763    HB2  PRO 112           HB2      PRO 112  -2.772  -0.568 -16.472
  764    HB3  PRO 112           HB3      PRO 112  -1.164  -1.311 -16.624
  765    HG2  PRO 112           HG2      PRO 112  -3.584  -2.378 -15.170
  766    HG3  PRO 112           HG3      PRO 112  -2.405  -3.264 -16.183
  767    HD2  PRO 112           HD2      PRO 112  -2.350  -3.190 -13.413
  768    HD3  PRO 112           HD3      PRO 112  -0.903  -3.460 -14.431
  769    H    ARG 113           H        ARG 113  -1.190   1.727 -13.421
  770    HA   ARG 113           HA       ARG 113  -3.907   2.691 -13.273
  771    HB2  ARG 113           HB2      ARG 113  -3.577   0.781 -11.370
  772    HB3  ARG 113           HB3      ARG 113  -2.800   2.098 -10.519
  773    HG2  ARG 113           HG2      ARG 113  -4.906   2.532  -9.789
  774    HG3  ARG 113           HG3      ARG 113  -5.078   3.376 -11.328
  775    HD2  ARG 113           HD2      ARG 113  -6.010   0.576 -10.586
  776    HD3  ARG 113           HD3      ARG 113  -7.001   1.992 -10.935
  777    HE   ARG 113           HE       ARG 113  -5.223   0.719 -12.993
  778   HH11  ARG 113          HH11      ARG 113  -8.581   1.774 -12.204
  779   HH12  ARG 113          HH12      ARG 113  -8.997   1.677 -13.904
  780   HH21  ARG 113          HH21      ARG 113  -5.986   0.467 -15.013
  781   HH22  ARG 113          HH22      ARG 113  -7.654   0.911 -15.387
  782    H    LEU 114           H        LEU 114  -0.846   2.730 -11.540
  783    HA   LEU 114           HA       LEU 114  -0.105   5.469 -12.467
  784    HB2  LEU 114           HB2      LEU 114   1.305   3.212 -10.943
  785    HB3  LEU 114           HB3      LEU 114   2.177   4.569 -11.620
  786    HG   LEU 114           HG       LEU 114   1.880   4.777  -9.236
  787   HD11  LEU 114          HD11      LEU 114   0.365   6.905 -10.800
  788   HD12  LEU 114          HD12      LEU 114   1.113   7.111  -9.201
  789   HD13  LEU 114          HD13      LEU 114   2.122   6.753 -10.614
  790   HD21  LEU 114          HD21      LEU 114  -0.336   3.679  -8.968
  791   HD22  LEU 114          HD22      LEU 114  -0.219   5.249  -8.146
  792   HD23  LEU 114          HD23      LEU 114  -1.089   5.128  -9.684
  793    H    LYS 115           H        LYS 115   1.700   5.528 -14.071
  794    HA   LYS 115           HA       LYS 115   2.264   2.868 -15.302
  795    HB2  LYS 115           HB2      LYS 115   1.001   4.952 -16.713
  796    HB3  LYS 115           HB3      LYS 115   2.703   5.073 -17.185
  797    HG2  LYS 115           HG2      LYS 115   2.624   2.504 -17.512
  798    HG3  LYS 115           HG3      LYS 115   0.869   2.639 -17.329
  799    HD2  LYS 115           HD2      LYS 115   0.867   4.207 -19.328
  800    HD3  LYS 115           HD3      LYS 115   2.617   3.917 -19.471
  801    HE2  LYS 115           HE2      LYS 115   1.785   1.346 -19.286
  802    HE3  LYS 115           HE3      LYS 115   0.302   2.030 -19.960
  803    HZ1  LYS 115           HZ1      LYS 115   3.023   2.199 -21.110
  804    HZ2  LYS 115           HZ2      LYS 115   1.838   1.222 -21.640
  805    HZ3  LYS 115           HZ3      LYS 115   1.698   2.879 -21.812
  806    H    SER 116           H        SER 116   3.613   5.871 -14.096
  807    HA   SER 116           HA       SER 116   6.344   4.797 -14.745
  808    HB2  SER 116           HB2      SER 116   5.480   7.652 -14.422
  809    HB3  SER 116           HB3      SER 116   7.110   7.070 -14.798
  810    HG   SER 116           HG       SER 116   5.580   7.812 -16.526
  811    H    LEU 117           H        LEU 117   8.051   5.040 -13.286
  812    HA   LEU 117           HA       LEU 117   7.471   5.199 -10.423
  813    HB2  LEU 117           HB2      LEU 117   9.832   4.742 -12.208
  814    HB3  LEU 117           HB3      LEU 117  10.199   5.496 -10.672
  815    HG   LEU 117           HG       LEU 117   8.335   3.150 -10.490
  816   HD11  LEU 117          HD11      LEU 117  11.253   2.620 -11.015
  817   HD12  LEU 117          HD12      LEU 117   9.999   1.453 -10.516
  818   HD13  LEU 117          HD13      LEU 117   9.941   2.234 -12.127
  819   HD21  LEU 117          HD21      LEU 117   9.482   4.351  -8.487
  820   HD22  LEU 117          HD22      LEU 117   9.878   2.608  -8.570
  821   HD23  LEU 117          HD23      LEU 117  11.046   3.784  -9.172
  822    H    ASP 118           H        ASP 118   8.758   7.504 -12.839
  823    HA   ASP 118           HA       ASP 118   9.072   9.697 -11.155
  824    HB2  ASP 118           HB2      ASP 118   8.786  11.102 -13.138
  825    HB3  ASP 118           HB3      ASP 118   9.843   9.728 -13.417
  826    H    GLU 119           H        GLU 119   5.991   8.280 -11.912
  827    HA   GLU 119           HA       GLU 119   4.445  10.687 -11.213
  828    HB2  GLU 119           HB2      GLU 119   3.723   7.806 -11.769
  829    HB3  GLU 119           HB3      GLU 119   2.518   9.017 -11.322
  830    HG2  GLU 119           HG2      GLU 119   2.771  10.249 -13.286
  831    HG3  GLU 119           HG3      GLU 119   4.351   9.579 -13.643
  832    H    VAL 120           H        VAL 120   6.177   8.395  -9.390
  833    HA   VAL 120           HA       VAL 120   4.490   8.944  -6.962
  834    HB   VAL 120           HB       VAL 120   5.005   6.709  -6.128
  835   HG11  VAL 120          HG11      VAL 120   3.729   6.720  -8.886
  836   HG12  VAL 120          HG12      VAL 120   3.583   5.432  -7.707
  837   HG13  VAL 120          HG13      VAL 120   2.920   7.040  -7.334
  838   HG21  VAL 120          HG21      VAL 120   7.155   6.328  -7.489
  839   HG22  VAL 120          HG22      VAL 120   6.018   4.970  -7.428
  840   HG23  VAL 120          HG23      VAL 120   6.092   5.986  -8.872
  841    H    LYS 121           H        LYS 121   7.164  10.033  -8.151
  842    HA   LYS 121           HA       LYS 121   9.274   9.364  -6.433
  843    HB2  LYS 121           HB2      LYS 121  10.462  11.158  -7.576
  844    HB3  LYS 121           HB3      LYS 121   9.507  10.183  -8.684
  845    HG2  LYS 121           HG2      LYS 121   7.712  11.999  -8.595
  846    HG3  LYS 121           HG3      LYS 121   8.857  13.002  -7.695
  847    HD2  LYS 121           HD2      LYS 121  10.398  13.053  -9.584
  848    HD3  LYS 121           HD3      LYS 121   9.510  11.763 -10.399
  849    HE2  LYS 121           HE2      LYS 121   7.470  13.417 -10.287
  850    HE3  LYS 121           HE3      LYS 121   8.708  14.667 -10.065
  851    HZ1  LYS 121           HZ1      LYS 121   8.505  12.758 -12.328
  852    HZ2  LYS 121           HZ2      LYS 121   8.124  14.338 -12.399
  853    HZ3  LYS 121           HZ3      LYS 121   9.696  13.881 -12.183
  854    H    ASP 122           H        ASP 122   6.825  10.610  -4.974
  855    HA   ASP 122           HA       ASP 122   8.392  11.837  -2.835
  856    HB2  ASP 122           HB2      ASP 122   7.784  13.723  -4.465
  857    HB3  ASP 122           HB3      ASP 122   6.104  13.465  -4.007
  858    H    LYS 123           H        LYS 123   6.677   9.417  -3.318
  859    HA   LYS 123           HA       LYS 123   4.439   9.872  -1.374
  860    HB2  LYS 123           HB2      LYS 123   4.479   8.065  -3.821
  861    HB3  LYS 123           HB3      LYS 123   3.147   8.259  -2.673
  862    HG2  LYS 123           HG2      LYS 123   3.099  10.727  -3.258
  863    HG3  LYS 123           HG3      LYS 123   4.216  10.357  -4.592
  864    HD2  LYS 123           HD2      LYS 123   2.576   8.697  -5.484
  865    HD3  LYS 123           HD3      LYS 123   1.503   9.053  -4.121
  866    HE2  LYS 123           HE2      LYS 123   0.639  10.249  -5.914
  867    HE3  LYS 123           HE3      LYS 123   1.402  11.444  -4.857
  868    HZ1  LYS 123           HZ1      LYS 123   2.597  10.395  -7.396
  869    HZ2  LYS 123           HZ2      LYS 123   2.008  11.900  -7.153
  870    HZ3  LYS 123           HZ3      LYS 123   3.335  11.427  -6.362
  871    H    ALA 124           H        ALA 124   3.490   7.741  -0.574
  872    HA   ALA 124           HA       ALA 124   5.616   5.749   0.132
  873    HB1  ALA 124           HB1      ALA 124   3.085   6.526   1.649
  874    HB2  ALA 124           HB2      ALA 124   4.185   5.201   2.084
  875    HB3  ALA 124           HB3      ALA 124   4.765   6.865   2.137
  876    H    LEU 125           H        LEU 125   5.279   3.683  -0.308
  877    HA   LEU 125           HA       LEU 125   2.770   2.667  -1.606
  878    HB2  LEU 125           HB2      LEU 125   5.477   1.374  -1.142
  879    HB3  LEU 125           HB3      LEU 125   4.129   0.642  -1.995
  880    HG   LEU 125           HG       LEU 125   4.847   3.231  -3.204
  881   HD11  LEU 125          HD11      LEU 125   7.030   1.118  -3.029
  882   HD12  LEU 125          HD12      LEU 125   7.051   2.546  -4.090
  883   HD13  LEU 125          HD13      LEU 125   7.067   2.758  -2.336
  884   HD21  LEU 125          HD21      LEU 125   3.536   1.462  -4.353
  885   HD22  LEU 125          HD22      LEU 125   4.952   2.010  -5.265
  886   HD23  LEU 125          HD23      LEU 125   5.011   0.460  -4.411
  887    H    MET 126           H        MET 126   1.498   1.215  -0.351
  888    HA   MET 126           HA       MET 126   2.473   0.564   2.420
  889    HB2  MET 126           HB2      MET 126  -0.155   1.840   1.584
  890    HB3  MET 126           HB3      MET 126   0.037   0.957   3.101
  891    HG2  MET 126           HG2      MET 126   1.911   2.446   3.752
  892    HG3  MET 126           HG3      MET 126   1.691   3.374   2.280
  893    HE1  MET 126           HE1      MET 126   1.745   5.399   3.962
  894    HE2  MET 126           HE2      MET 126   0.526   5.716   5.220
  895    HE3  MET 126           HE3      MET 126   1.696   4.390   5.406
  896    H    ILE 127           H        ILE 127   2.170  -1.408   3.099
  897    HA   ILE 127           HA       ILE 127   0.516  -3.337   1.508
  898    HB   ILE 127           HB       ILE 127   2.625  -3.859   3.625
  899   HG12  ILE 127          HG12      ILE 127   2.574  -4.398   0.619
  900   HG13  ILE 127          HG13      ILE 127   3.509  -3.138   1.401
  901   HG21  ILE 127          HG21      ILE 127   1.020  -5.853   1.964
  902   HG22  ILE 127          HG22      ILE 127   2.268  -6.254   3.165
  903   HG23  ILE 127          HG23      ILE 127   0.759  -5.541   3.696
  904   HD11  ILE 127          HD11      ILE 127   3.965  -6.134   1.701
  905   HD12  ILE 127          HD12      ILE 127   4.978  -4.964   0.858
  906   HD13  ILE 127          HD13      ILE 127   4.829  -4.877   2.623
  907    H    HIS 128           H        HIS 128  -1.422  -3.399   2.104
  908    HA   HIS 128           HA       HIS 128  -2.385  -2.510   4.704
  909    HB2  HIS 128           HB2      HIS 128  -3.273  -2.597   1.944
  910    HB3  HIS 128           HB3      HIS 128  -4.498  -3.278   2.930
  911    HD1  HIS 128           HD1      HIS 128  -5.956  -1.453   4.230
  912    HD2  HIS 128           HD2      HIS 128  -2.381  -0.080   2.529
  913    HE1  HIS 128           HE1      HIS 128  -6.126   1.087   4.201
  914    H    VAL 129           H        VAL 129  -3.631  -3.716   6.166
  915    HA   VAL 129           HA       VAL 129  -2.373  -6.159   6.731
  916    HB   VAL 129           HB       VAL 129  -4.899  -4.961   7.888
  917   HG11  VAL 129          HG11      VAL 129  -3.414  -7.422   8.922
  918   HG12  VAL 129          HG12      VAL 129  -4.614  -6.496   9.849
  919   HG13  VAL 129          HG13      VAL 129  -5.112  -7.351   8.392
  920   HG21  VAL 129          HG21      VAL 129  -2.733  -3.784   8.285
  921   HG22  VAL 129          HG22      VAL 129  -3.396  -4.433   9.789
  922   HG23  VAL 129          HG23      VAL 129  -2.057  -5.263   8.981
  923    H    GLY 130           H        GLY 130  -5.565  -5.738   5.208
  924    HA2  GLY 130           HA2      GLY 130  -5.473  -8.609   4.347
  925    HA3  GLY 130           HA3      GLY 130  -6.990  -7.776   4.724
  926    H    GLY 131           H        GLY 131  -6.585  -8.907   2.255
  927    HA2  GLY 131           HA2      GLY 131  -6.280  -6.907   0.197
  928    HA3  GLY 131           HA3      GLY 131  -7.216  -8.411   0.089
  929    H    ASP 132           H        ASP 132  -8.186  -6.331  -1.136
  930    HA   ASP 132           HA       ASP 132  -9.416  -4.401   0.759
  931    HB2  ASP 132           HB2      ASP 132  -7.042  -4.198   0.087
  932    HB3  ASP 132           HB3      ASP 132  -7.509  -4.203  -1.607
  933    H    ASN 133           H        ASN 133 -10.536  -6.285  -1.593
  934    HA   ASN 133           HA       ASN 133 -11.512  -4.526  -3.625
  935    HB2  ASN 133           HB2      ASN 133 -10.819  -6.969  -3.816
  936    HB3  ASN 133           HB3      ASN 133 -12.339  -7.400  -3.025
  937   HD21  ASN 133          HD21      ASN 133 -13.283  -8.522  -4.868
  938   HD22  ASN 133          HD22      ASN 133 -13.631  -7.641  -6.340
  939    H    MET 134           H        MET 134 -12.569  -3.516  -1.197
  940    HA   MET 134           HA       MET 134 -15.511  -4.124  -1.294
  941    HB2  MET 134           HB2      MET 134 -13.678  -4.259   1.126
  942    HB3  MET 134           HB3      MET 134 -15.449  -4.307   1.196
  943    HG2  MET 134           HG2      MET 134 -15.386  -6.289  -0.353
  944    HG3  MET 134           HG3      MET 134 -13.637  -6.337  -0.160
  945    HE1  MET 134           HE1      MET 134 -12.958  -5.764   2.793
  946    HE2  MET 134           HE2      MET 134 -13.067  -7.388   3.496
  947    HE3  MET 134           HE3      MET 134 -12.348  -7.171   1.891
  948    H    SER 135           H        SER 135 -15.035  -1.866  -2.472
  949    HA   SER 135           HA       SER 135 -14.889   0.481  -0.901
  950    HB2  SER 135           HB2      SER 135 -16.506   0.042  -3.438
  951    HB3  SER 135           HB3      SER 135 -15.868   1.571  -2.826
  952    HG   SER 135           HG       SER 135 -14.380   0.895  -4.309
  953    H    ASP 136           H        ASP 136 -17.711  -1.603  -1.481
  954    HA   ASP 136           HA       ASP 136 -19.582   0.518  -0.963
  955    HB2  ASP 136           HB2      ASP 136 -19.821  -1.193  -2.728
  956    HB3  ASP 136           HB3      ASP 136 -20.030  -2.439  -1.496
  957    H    GLN 137           H        GLN 137 -18.648   0.839   1.299
  958    HA   GLN 137           HA       GLN 137 -20.770   0.059   3.139
  959    HB2  GLN 137           HB2      GLN 137 -17.984  -1.065   3.397
  960    HB3  GLN 137           HB3      GLN 137 -18.683  -0.420   4.862
  961    HG2  GLN 137           HG2      GLN 137 -19.942  -2.204   5.216
  962    HG3  GLN 137           HG3      GLN 137 -20.680  -2.118   3.627
  963   HE21  GLN 137          HE21      GLN 137 -19.587  -3.226   1.822
  964   HE22  GLN 137          HE22      GLN 137 -18.523  -4.591   2.220
  965    HA   PRO 138           HA       PRO 138 -19.816   4.150   4.663
  966    HB2  PRO 138           HB2      PRO 138 -20.738   4.080   7.240
  967    HB3  PRO 138           HB3      PRO 138 -21.822   4.070   5.814
  968    HG2  PRO 138           HG2      PRO 138 -20.869   1.700   7.452
  969    HG3  PRO 138           HG3      PRO 138 -22.539   2.085   6.920
  970    HD2  PRO 138           HD2      PRO 138 -20.968   0.328   5.563
  971    HD3  PRO 138           HD3      PRO 138 -22.096   1.422   4.713
  972    H    LYS 139           H        LYS 139 -18.580   1.318   6.367
  973    HA   LYS 139           HA       LYS 139 -16.044   2.831   6.846
  974    HB2  LYS 139           HB2      LYS 139 -16.967   0.146   7.939
  975    HB3  LYS 139           HB3      LYS 139 -15.314   0.768   8.059
  976    HG2  LYS 139           HG2      LYS 139 -16.118   2.728   9.351
  977    HG3  LYS 139           HG3      LYS 139 -17.783   2.162   9.191
  978    HD2  LYS 139           HD2      LYS 139 -17.073   1.553  11.370
  979    HD3  LYS 139           HD3      LYS 139 -17.158   0.067  10.420
  980    HE2  LYS 139           HE2      LYS 139 -14.637   0.261  10.070
  981    HE3  LYS 139           HE3      LYS 139 -14.646   1.643  11.178
  982    HZ1  LYS 139           HZ1      LYS 139 -15.463  -1.131  11.816
  983    HZ2  LYS 139           HZ2      LYS 139 -14.106  -0.384  12.359
  984    HZ3  LYS 139           HZ3      LYS 139 -15.603   0.129  12.866
  985    HA   PRO 140           HA       PRO 140 -15.796   0.671   2.775
  986    HB2  PRO 140           HB2      PRO 140 -14.056   2.357   1.497
  987    HB3  PRO 140           HB3      PRO 140 -15.800   2.710   1.702
  988    HG2  PRO 140           HG2      PRO 140 -13.501   3.664   3.440
  989    HG3  PRO 140           HG3      PRO 140 -14.813   4.645   2.706
  990    HD2  PRO 140           HD2      PRO 140 -14.968   3.795   5.268
  991    HD3  PRO 140           HD3      PRO 140 -16.419   3.793   4.220
  992    H    LEU 141           H        LEU 141 -13.948  -0.218   1.542
  993    HA   LEU 141           HA       LEU 141 -12.155  -1.602   1.361
  994    HB2  LEU 141           HB2      LEU 141 -10.973  -0.684   3.993
  995    HB3  LEU 141           HB3      LEU 141 -10.177  -1.456   2.634
  996    HG   LEU 141           HG       LEU 141 -11.188   1.420   2.752
  997   HD11  LEU 141          HD11      LEU 141  -8.382   0.249   2.656
  998   HD12  LEU 141          HD12      LEU 141  -8.802   1.982   2.638
  999   HD13  LEU 141          HD13      LEU 141  -9.182   0.998   4.057
 1000   HD21  LEU 141          HD21      LEU 141 -11.445   0.585   0.456
 1001   HD22  LEU 141          HD22      LEU 141 -10.111   1.738   0.563
 1002   HD23  LEU 141          HD23      LEU 141  -9.771  -0.004   0.471
 1003    H    GLY 142           H        GLY 142 -14.710  -1.954   2.925
 1004    HA2  GLY 142           HA2      GLY 142 -15.796  -3.471   4.282
 1005    HA3  GLY 142           HA3      GLY 142 -14.352  -4.509   4.235
 1006    H    GLY 143           H        GLY 143 -13.503  -1.415   5.309
 1007    HA2  GLY 143           HA2      GLY 143 -13.144  -0.620   7.543
 1008    HA3  GLY 143           HA3      GLY 143 -13.452  -2.258   8.181
 1009    H    GLY 144           H        GLY 144 -11.517  -2.716   5.502
 1010    HA2  GLY 144           HA2      GLY 144  -9.210  -3.435   7.033
 1011    HA3  GLY 144           HA3      GLY 144  -9.397  -3.500   5.266
 1012    H    GLY 145           H        GLY 145  -9.432  -0.686   7.477
 1013    HA2  GLY 145           HA2      GLY 145  -7.803   0.915   5.707
 1014    HA3  GLY 145           HA3      GLY 145  -8.357   1.357   7.334
 1015    H    THR 146           H        THR 146  -6.836  -1.302   8.176
 1016    HA   THR 146           HA       THR 146  -4.495   0.118   9.108
 1017    HB   THR 146           HB       THR 146  -4.033  -2.166  10.187
 1018    HG1  THR 146           HG1      THR 146  -5.987  -3.452  10.197
 1019   HG21  THR 146          HG21      THR 146  -6.716  -0.816  10.745
 1020   HG22  THR 146          HG22      THR 146  -5.805  -1.857  11.858
 1021   HG23  THR 146          HG23      THR 146  -5.140  -0.290  11.376
 1022    H    ARG 147           H        ARG 147  -2.391  -0.360   8.878
 1023    HA   ARG 147           HA       ARG 147  -1.523  -1.768   6.379
 1024    HB2  ARG 147           HB2      ARG 147  -0.320   0.581   7.902
 1025    HB3  ARG 147           HB3      ARG 147   0.599  -0.407   6.772
 1026    HG2  ARG 147           HG2      ARG 147  -0.046   1.412   5.504
 1027    HG3  ARG 147           HG3      ARG 147  -1.095   0.095   4.994
 1028    HD2  ARG 147           HD2      ARG 147  -2.409   2.061   5.064
 1029    HD3  ARG 147           HD3      ARG 147  -2.929   1.093   6.440
 1030    HE   ARG 147           HE       ARG 147  -0.838   3.022   7.087
 1031   HH11  ARG 147          HH11      ARG 147  -4.391   2.748   6.789
 1032   HH12  ARG 147          HH12      ARG 147  -4.591   4.397   7.365
 1033   HH21  ARG 147          HH21      ARG 147  -1.346   5.065   8.059
 1034   HH22  ARG 147          HH22      ARG 147  -3.006   5.596   8.037
 1035    H    TYR 148           H        TYR 148  -0.051  -3.375   6.537
 1036    HA   TYR 148           HA       TYR 148   1.028  -4.059   9.244
 1037    HB2  TYR 148           HB2      TYR 148  -0.116  -5.840   7.739
 1038    HB3  TYR 148           HB3      TYR 148   1.369  -5.852   6.804
 1039    HD1  TYR 148           HD1      TYR 148  -0.105  -6.439  10.182
 1040    HD2  TYR 148           HD2      TYR 148   3.391  -6.849   7.690
 1041    HE1  TYR 148           HE1      TYR 148   0.933  -7.927  11.889
 1042    HE2  TYR 148           HE2      TYR 148   4.430  -8.315   9.409
 1043    HH   TYR 148           HH       TYR 148   2.841  -9.212  12.469
 1044    H    ALA 149           H        ALA 149   1.947  -2.811   6.040
 1045    HA   ALA 149           HA       ALA 149   4.490  -1.934   7.206
 1046    HB1  ALA 149           HB1      ALA 149   4.511  -3.633   4.678
 1047    HB2  ALA 149           HB2      ALA 149   5.902  -2.917   5.481
 1048    HB3  ALA 149           HB3      ALA 149   4.997  -4.213   6.282
 1049    H    CYS 150           H        CYS 150   5.679  -0.428   5.917
 1050    HA   CYS 150           HA       CYS 150   4.233   1.025   3.788
 1051    HB2  CYS 150           HB2      CYS 150   3.626   1.954   6.039
 1052    HB3  CYS 150           HB3      CYS 150   5.332   2.308   6.306
 1053    H    GLY 151           H        GLY 151   5.569   2.166   2.458
 1054    HA2  GLY 151           HA2      GLY 151   8.545   1.927   2.702
 1055    HA3  GLY 151           HA3      GLY 151   7.700   1.288   1.291
 1056    H    VAL 152           H        VAL 152   8.786   4.118   2.878
 1057    HA   VAL 152           HA       VAL 152   7.653   6.074   1.082
 1058    HB   VAL 152           HB       VAL 152   8.318   6.675   3.327
 1059   HG11  VAL 152          HG11      VAL 152  11.235   6.376   2.496
 1060   HG12  VAL 152          HG12      VAL 152  10.620   6.987   4.041
 1061   HG13  VAL 152          HG13      VAL 152  10.364   5.292   3.605
 1062   HG21  VAL 152          HG21      VAL 152   8.234   8.399   1.522
 1063   HG22  VAL 152          HG22      VAL 152   9.308   8.820   2.869
 1064   HG23  VAL 152          HG23      VAL 152   9.994   8.249   1.339
 1065    H    ILE 153           H        ILE 153   8.379   6.964  -0.763
 1066    HA   ILE 153           HA       ILE 153  10.625   5.653  -2.197
 1067    HB   ILE 153           HB       ILE 153   8.393   7.528  -3.065
 1068   HG12  ILE 153          HG12      ILE 153   8.795   4.620  -3.890
 1069   HG13  ILE 153          HG13      ILE 153   7.915   5.017  -2.423
 1070   HG21  ILE 153          HG21      ILE 153  10.542   6.200  -4.778
 1071   HG22  ILE 153          HG22      ILE 153   9.088   6.980  -5.423
 1072   HG23  ILE 153          HG23      ILE 153  10.267   7.947  -4.560
 1073   HD11  ILE 153          HD11      ILE 153   7.160   5.905  -5.217
 1074   HD12  ILE 153          HD12      ILE 153   6.321   4.724  -4.219
 1075   HD13  ILE 153          HD13      ILE 153   6.333   6.421  -3.727
 1076    H    LYS 154           H        LYS 154  12.299   6.852  -3.289
 1077    HA   LYS 154           HA       LYS 154  12.837   9.568  -2.144
 1078    HB2  LYS 154           HB2      LYS 154  14.817   7.248  -2.209
 1079    HB3  LYS 154           HB3      LYS 154  15.187   8.922  -1.766
 1080    HG2  LYS 154           HG2      LYS 154  13.456   8.756   0.073
 1081    HG3  LYS 154           HG3      LYS 154  13.294   7.032  -0.299
 1082    HD2  LYS 154           HD2      LYS 154  15.715   6.715   0.239
 1083    HD3  LYS 154           HD3      LYS 154  15.816   8.441   0.676
 1084    HE2  LYS 154           HE2      LYS 154  13.954   8.091   2.324
 1085    HE3  LYS 154           HE3      LYS 154  13.944   6.368   1.923
 1086    HZ1  LYS 154           HZ1      LYS 154  16.184   7.856   3.178
 1087    HZ2  LYS 154           HZ2      LYS 154  15.210   6.768   3.912
 1088    HZ3  LYS 154           HZ3      LYS 154  16.281   6.288   2.740
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1  12.843  -0.605 -16.708
    2    H2   ALA   1           H2       ALA   1  13.448   0.715 -17.519
    3    H3   ALA   1           H3       ALA   1  12.055   0.840 -16.686
    4    HA   ALA   1           HA       ALA   1  14.777   0.532 -15.650
    5    HB1  ALA   1           HB1      ALA   1  12.636   2.621 -15.046
    6    HB2  ALA   1           HB2      ALA   1  14.308   2.622 -14.445
    7    HB3  ALA   1           HB3      ALA   1  13.993   2.845 -16.168
    8    H    SER   2           H        SER   2  14.544   1.039 -13.001
    9    HA   SER   2           HA       SER   2  12.686  -0.878 -11.730
   10    HB2  SER   2           HB2      SER   2  15.664  -1.291 -11.514
   11    HB3  SER   2           HB3      SER   2  14.365  -2.383 -11.026
   12    HG   SER   2           HG       SER   2  13.996  -2.817 -13.273
   13    H    GLU   3           H        GLU   3  12.651  -0.736  -9.532
   14    HA   GLU   3           HA       GLU   3  14.605   0.930  -8.151
   15    HB2  GLU   3           HB2      GLU   3  13.100   2.678  -8.896
   16    HB3  GLU   3           HB3      GLU   3  11.698   1.767  -8.286
   17    HG2  GLU   3           HG2      GLU   3  12.225   3.612  -6.835
   18    HG3  GLU   3           HG3      GLU   3  12.465   2.076  -5.983
   19    H    LYS   4           H        LYS   4  14.861   0.316  -6.179
   20    HA   LYS   4           HA       LYS   4  13.300  -2.029  -5.188
   21    HB2  LYS   4           HB2      LYS   4  15.199  -2.650  -3.900
   22    HB3  LYS   4           HB3      LYS   4  15.802  -2.180  -5.489
   23    HG2  LYS   4           HG2      LYS   4  16.211   0.184  -4.357
   24    HG3  LYS   4           HG3      LYS   4  15.998  -0.701  -2.842
   25    HD2  LYS   4           HD2      LYS   4  18.301  -0.672  -3.145
   26    HD3  LYS   4           HD3      LYS   4  17.852  -2.293  -3.714
   27    HE2  LYS   4           HE2      LYS   4  17.842  -1.424  -6.068
   28    HE3  LYS   4           HE3      LYS   4  18.247   0.190  -5.468
   29    HZ1  LYS   4           HZ1      LYS   4  19.954  -2.231  -5.297
   30    HZ2  LYS   4           HZ2      LYS   4  20.228  -0.896  -6.210
   31    HZ3  LYS   4           HZ3      LYS   4  20.328  -0.788  -4.584
   32    H    VAL   5           H        VAL   5  11.795  -1.798  -3.629
   33    HA   VAL   5           HA       VAL   5  11.791   0.754  -2.072
   34    HB   VAL   5           HB       VAL   5   9.570  -1.180  -2.782
   35   HG11  VAL   5          HG11      VAL   5   9.459   1.475  -1.271
   36   HG12  VAL   5          HG12      VAL   5   8.067   0.472  -1.744
   37   HG13  VAL   5          HG13      VAL   5   9.212  -0.127  -0.548
   38   HG21  VAL   5          HG21      VAL   5  10.463   0.265  -4.664
   39   HG22  VAL   5          HG22      VAL   5   8.818   0.636  -4.237
   40   HG23  VAL   5          HG23      VAL   5  10.124   1.698  -3.675
   41    H    GLY   6           H        GLY   6  13.003   0.429  -0.389
   42    HA2  GLY   6           HA2      GLY   6  13.117  -1.950   1.265
   43    HA3  GLY   6           HA3      GLY   6  13.776  -0.336   1.658
   44    H    MET   7           H        MET   7  11.422  -2.606   2.362
   45    HA   MET   7           HA       MET   7   9.320  -0.758   3.274
   46    HB2  MET   7           HB2      MET   7   9.618  -3.763   3.528
   47    HB3  MET   7           HB3      MET   7   8.159  -2.841   3.929
   48    HG2  MET   7           HG2      MET   7   9.404  -3.018   1.157
   49    HG3  MET   7           HG3      MET   7   8.078  -4.026   1.723
   50    HE1  MET   7           HE1      MET   7   6.393  -1.579   3.342
   51    HE2  MET   7           HE2      MET   7   5.205  -1.310   2.060
   52    HE3  MET   7           HE3      MET   7   5.706  -2.973   2.476
   53    H    ASN   8           H        ASN   8   8.761  -0.458   5.449
   54    HA   ASN   8           HA       ASN   8  10.343  -1.814   7.590
   55    HB2  ASN   8           HB2      ASN   8  10.492   0.897   7.050
   56    HB3  ASN   8           HB3      ASN   8   9.176   0.848   8.237
   57   HD21  ASN   8          HD21      ASN   8  12.576  -0.075   7.600
   58   HD22  ASN   8          HD22      ASN   8  13.037  -0.150   9.302
   59    H    LEU   9           H        LEU   9   9.128  -2.459   9.418
   60    HA   LEU   9           HA       LEU   9   6.297  -3.003   9.013
   61    HB2  LEU   9           HB2      LEU   9   8.081  -3.141  11.492
   62    HB3  LEU   9           HB3      LEU   9   6.429  -3.745  11.426
   63    HG   LEU   9           HG       LEU   9   8.719  -4.791   9.715
   64   HD11  LEU   9          HD11      LEU   9   7.472  -5.942  12.237
   65   HD12  LEU   9          HD12      LEU   9   8.638  -6.778  11.191
   66   HD13  LEU   9          HD13      LEU   9   9.125  -5.307  12.044
   67   HD21  LEU   9          HD21      LEU   9   6.558  -5.173   8.615
   68   HD22  LEU   9          HD22      LEU   9   7.147  -6.699   9.284
   69   HD23  LEU   9          HD23      LEU   9   5.873  -5.801  10.132
   70    H    VAL  10           H        VAL  10   4.530  -1.942   9.853
   71    HA   VAL  10           HA       VAL  10   4.957   0.349  11.699
   72    HB   VAL  10           HB       VAL  10   3.612   1.901  10.569
   73   HG11  VAL  10          HG11      VAL  10   5.387   0.785   8.364
   74   HG12  VAL  10          HG12      VAL  10   4.774   2.444   8.517
   75   HG13  VAL  10          HG13      VAL  10   5.936   1.825   9.695
   76   HG21  VAL  10          HG21      VAL  10   1.847   0.533   9.674
   77   HG22  VAL  10          HG22      VAL  10   2.515   1.505   8.364
   78   HG23  VAL  10          HG23      VAL  10   2.949  -0.217   8.489
   79    H    THR  11           H        THR  11   3.345   0.961  12.897
   80    HA   THR  11           HA       THR  11   0.783  -0.444  12.921
   81    HB   THR  11           HB       THR  11   2.204  -2.066  14.041
   82    HG1  THR  11           HG1      THR  11   0.988  -2.229  15.902
   83   HG21  THR  11          HG21      THR  11   2.863   0.139  16.044
   84   HG22  THR  11          HG22      THR  11   3.253  -1.581  16.227
   85   HG23  THR  11          HG23      THR  11   4.009  -0.641  14.935
   86    H    ALA  12           H        ALA  12   0.167   0.359  15.449
   87    HA   ALA  12           HA       ALA  12  -0.704   3.112  15.063
   88    HB1  ALA  12           HB1      ALA  12  -0.852   1.220  17.469
   89    HB2  ALA  12           HB2      ALA  12  -1.753   2.736  17.308
   90    HB3  ALA  12           HB3      ALA  12  -2.083   1.394  16.198
   91    H    GLN  13           H        GLN  13   2.287   2.100  15.839
   92    HA   GLN  13           HA       GLN  13   2.945   4.332  17.737
   93    HB2  GLN  13           HB2      GLN  13   4.482   1.827  17.131
   94    HB3  GLN  13           HB3      GLN  13   4.840   2.965  18.420
   95    HG2  GLN  13           HG2      GLN  13   2.557   0.915  18.234
   96    HG3  GLN  13           HG3      GLN  13   4.040   0.774  19.206
   97   HE21  GLN  13          HE21      GLN  13   1.331   3.098  18.663
   98   HE22  GLN  13          HE22      GLN  13   1.693   3.830  20.188
   99    H    GLY  14           H        GLY  14   3.174   3.344  14.455
  100    HA2  GLY  14           HA2      GLY  14   4.150   4.637  12.752
  101    HA3  GLY  14           HA3      GLY  14   5.320   5.327  13.915
  102    H    VAL  15           H        VAL  15   6.783   4.917  12.222
  103    HA   VAL  15           HA       VAL  15   7.515   2.454  11.070
  104    HB   VAL  15           HB       VAL  15   9.152   4.929  11.705
  105   HG11  VAL  15          HG11      VAL  15   9.949   2.650   9.853
  106   HG12  VAL  15          HG12      VAL  15  10.804   4.192  10.036
  107   HG13  VAL  15          HG13      VAL  15  10.760   3.058  11.387
  108   HG21  VAL  15          HG21      VAL  15   7.254   5.202  10.081
  109   HG22  VAL  15          HG22      VAL  15   8.829   5.429   9.314
  110   HG23  VAL  15          HG23      VAL  15   7.938   3.907   9.091
  111    H    GLY  16           H        GLY  16   8.477   0.682  11.705
  112    HA2  GLY  16           HA2      GLY  16   9.223   0.374  14.572
  113    HA3  GLY  16           HA3      GLY  16   8.655  -0.867  13.424
  114    H    GLN  17           H        GLN  17  10.041  -1.727  11.906
  115    HA   GLN  17           HA       GLN  17  12.832  -1.286  11.760
  116    HB2  GLN  17           HB2      GLN  17  13.664  -3.422  12.549
  117    HB3  GLN  17           HB3      GLN  17  12.901  -2.585  13.891
  118    HG2  GLN  17           HG2      GLN  17  11.169  -4.119  14.062
  119    HG3  GLN  17           HG3      GLN  17  11.171  -4.504  12.331
  120   HE21  GLN  17          HE21      GLN  17  13.149  -5.799  11.468
  121   HE22  GLN  17          HE22      GLN  17  13.701  -7.024  12.611
  122    H    SER  18           H        SER  18  13.797  -3.062  10.222
  123    HA   SER  18           HA       SER  18  11.669  -3.796   8.257
  124    HB2  SER  18           HB2      SER  18  13.278  -2.141   7.461
  125    HB3  SER  18           HB3      SER  18  14.601  -3.277   7.769
  126    HG   SER  18           HG       SER  18  12.652  -3.186   5.758
  127    H    ILE  19           H        ILE  19  11.979  -5.553   6.903
  128    HA   ILE  19           HA       ILE  19  13.159  -8.051   7.960
  129    HB   ILE  19           HB       ILE  19  11.044  -9.166   8.039
  130   HG12  ILE  19          HG12      ILE  19   9.606  -8.205   6.475
  131   HG13  ILE  19          HG13      ILE  19   8.858  -7.950   8.053
  132   HG21  ILE  19          HG21      ILE  19  10.798  -6.706   9.797
  133   HG22  ILE  19          HG22      ILE  19  10.116  -8.317  10.077
  134   HG23  ILE  19          HG23      ILE  19  11.868  -8.091  10.104
  135   HD11  ILE  19          HD11      ILE  19  10.150  -5.864   6.270
  136   HD12  ILE  19          HD12      ILE  19   8.463  -5.992   6.777
  137   HD13  ILE  19          HD13      ILE  19   9.714  -5.553   7.956
  138    H    GLY  20           H        GLY  20  12.944  -6.200   5.362
  139    HA2  GLY  20           HA2      GLY  20  13.538  -7.753   3.274
  140    HA3  GLY  20           HA3      GLY  20  11.809  -8.087   3.389
  141    H    THR  21           H        THR  21  12.751  -7.020   1.085
  142    HA   THR  21           HA       THR  21  11.664  -4.212   1.040
  143    HB   THR  21           HB       THR  21  13.065  -3.623  -0.708
  144    HG1  THR  21           HG1      THR  21  13.768  -6.372  -0.941
  145   HG21  THR  21          HG21      THR  21  14.939  -5.421   0.864
  146   HG22  THR  21          HG22      THR  21  15.314  -3.934  -0.018
  147   HG23  THR  21          HG23      THR  21  14.339  -3.859   1.462
  148    H    VAL  22           H        VAL  22  10.905  -3.832  -1.326
  149    HA   VAL  22           HA       VAL  22   9.819  -6.261  -2.622
  150    HB   VAL  22           HB       VAL  22   8.292  -3.610  -2.531
  151   HG11  VAL  22          HG11      VAL  22   7.613  -6.309  -3.773
  152   HG12  VAL  22          HG12      VAL  22   6.565  -4.932  -3.737
  153   HG13  VAL  22          HG13      VAL  22   8.038  -4.834  -4.685
  154   HG21  VAL  22          HG21      VAL  22   7.999  -4.809  -0.387
  155   HG22  VAL  22          HG22      VAL  22   6.515  -4.872  -1.336
  156   HG23  VAL  22          HG23      VAL  22   7.576  -6.294  -1.261
  157    H    VAL  23           H        VAL  23  10.331  -6.253  -4.812
  158    HA   VAL  23           HA       VAL  23  11.893  -3.888  -5.762
  159    HB   VAL  23           HB       VAL  23  12.867  -6.094  -5.941
  160   HG11  VAL  23          HG11      VAL  23  10.826  -6.801  -7.996
  161   HG12  VAL  23          HG12      VAL  23  12.388  -7.618  -7.777
  162   HG13  VAL  23          HG13      VAL  23  11.251  -7.613  -6.442
  163   HG21  VAL  23          HG21      VAL  23  13.570  -4.159  -7.369
  164   HG22  VAL  23          HG22      VAL  23  13.855  -5.715  -8.164
  165   HG23  VAL  23          HG23      VAL  23  12.459  -4.724  -8.637
  166    H    ILE  24           H        ILE  24  11.172  -2.481  -7.252
  167    HA   ILE  24           HA       ILE  24   8.605  -3.071  -8.648
  168    HB   ILE  24           HB       ILE  24   9.779  -0.366  -7.893
  169   HG12  ILE  24          HG12      ILE  24   7.668  -2.133  -6.685
  170   HG13  ILE  24          HG13      ILE  24   8.725  -1.120  -5.844
  171   HG21  ILE  24          HG21      ILE  24   7.233  -1.130  -9.394
  172   HG22  ILE  24          HG22      ILE  24   7.730   0.524  -8.958
  173   HG23  ILE  24          HG23      ILE  24   8.673  -0.374 -10.115
  174   HD11  ILE  24          HD11      ILE  24   6.262  -0.138  -7.247
  175   HD12  ILE  24          HD12      ILE  24   6.673  -0.134  -5.531
  176   HD13  ILE  24          HD13      ILE  24   7.565   0.926  -6.620
  177    H    ASP  25           H        ASP  25   8.693  -3.289 -10.791
  178    HA   ASP  25           HA       ASP  25  10.950  -2.023 -12.270
  179    HB2  ASP  25           HB2      ASP  25  11.203  -4.489 -11.976
  180    HB3  ASP  25           HB3      ASP  25   9.772  -4.707 -13.028
  181    H    GLU  26           H        GLU  26  10.481  -1.107 -14.196
  182    HA   GLU  26           HA       GLU  26   7.852   0.056 -14.378
  183    HB2  GLU  26           HB2      GLU  26  10.144   0.949 -13.824
  184    HB3  GLU  26           HB3      GLU  26  10.683   0.518 -15.436
  185    HG2  GLU  26           HG2      GLU  26   8.505   2.439 -14.947
  186    HG3  GLU  26           HG3      GLU  26  10.111   2.938 -14.552
  187    H    THR  27           H        THR  27   6.407  -1.052 -15.944
  188    HA   THR  27           HA       THR  27   7.742  -1.979 -18.456
  189    HB   THR  27           HB       THR  27   6.942  -4.089 -18.343
  190    HG1  THR  27           HG1      THR  27   5.248  -4.747 -16.939
  191   HG21  THR  27          HG21      THR  27   7.172  -3.603 -15.361
  192   HG22  THR  27          HG22      THR  27   7.396  -5.129 -16.236
  193   HG23  THR  27          HG23      THR  27   8.551  -3.803 -16.464
  194    H    GLU  28           H        GLU  28   5.910  -2.887 -19.976
  195    HA   GLU  28           HA       GLU  28   4.173  -0.588 -20.602
  196    HB2  GLU  28           HB2      GLU  28   3.705  -1.656 -22.669
  197    HB3  GLU  28           HB3      GLU  28   5.457  -1.670 -22.409
  198    HG2  GLU  28           HG2      GLU  28   3.627  -4.074 -21.941
  199    HG3  GLU  28           HG3      GLU  28   4.481  -3.747 -23.443
  200    H    GLY  29           H        GLY  29   3.965  -3.368 -18.719
  201    HA2  GLY  29           HA2      GLY  29   1.013  -3.059 -18.541
  202    HA3  GLY  29           HA3      GLY  29   1.921  -4.462 -17.876
  203    H    GLY  30           H        GLY  30   3.416  -1.471 -17.579
  204    HA2  GLY  30           HA2      GLY  30   3.619   0.201 -16.056
  205    HA3  GLY  30           HA3      GLY  30   2.210  -0.385 -15.179
  206    H    LEU  31           H        LEU  31   3.135   0.070 -13.162
  207    HA   LEU  31           HA       LEU  31   5.737  -0.992 -12.493
  208    HB2  LEU  31           HB2      LEU  31   3.486  -0.069 -10.676
  209    HB3  LEU  31           HB3      LEU  31   5.139  -0.432 -10.141
  210    HG   LEU  31           HG       LEU  31   4.300   1.768 -12.064
  211   HD11  LEU  31          HD11      LEU  31   5.594   1.950  -9.300
  212   HD12  LEU  31          HD12      LEU  31   4.961   3.291 -10.288
  213   HD13  LEU  31          HD13      LEU  31   3.855   2.101  -9.588
  214   HD21  LEU  31          HD21      LEU  31   6.486   1.035 -12.806
  215   HD22  LEU  31          HD22      LEU  31   6.661   2.554 -11.920
  216   HD23  LEU  31          HD23      LEU  31   7.075   1.020 -11.132
  217    H    LYS  32           H        LYS  32   6.327  -2.980 -12.422
  218    HA   LYS  32           HA       LYS  32   4.632  -5.176 -11.459
  219    HB2  LYS  32           HB2      LYS  32   6.228  -5.232 -13.515
  220    HB3  LYS  32           HB3      LYS  32   7.537  -5.332 -12.342
  221    HG2  LYS  32           HG2      LYS  32   6.035  -7.322 -11.326
  222    HG3  LYS  32           HG3      LYS  32   5.288  -7.273 -12.919
  223    HD2  LYS  32           HD2      LYS  32   6.898  -8.865 -13.250
  224    HD3  LYS  32           HD3      LYS  32   7.789  -7.427 -13.794
  225    HE2  LYS  32           HE2      LYS  32   8.842  -7.271 -11.513
  226    HE3  LYS  32           HE3      LYS  32   7.851  -8.666 -11.013
  227    HZ1  LYS  32           HZ1      LYS  32  10.235  -8.682 -12.710
  228    HZ2  LYS  32           HZ2      LYS  32   9.814  -9.693 -11.507
  229    HZ3  LYS  32           HZ3      LYS  32   9.077  -9.850 -12.937
  230    H    PHE  33           H        PHE  33   4.467  -5.361  -9.352
  231    HA   PHE  33           HA       PHE  33   6.571  -4.612  -7.412
  232    HB2  PHE  33           HB2      PHE  33   3.991  -3.986  -7.520
  233    HB3  PHE  33           HB3      PHE  33   3.739  -5.613  -6.883
  234    HD1  PHE  33           HD1      PHE  33   5.674  -2.512  -6.303
  235    HD2  PHE  33           HD2      PHE  33   3.482  -5.721  -4.540
  236    HE1  PHE  33           HE1      PHE  33   6.012  -1.482  -4.017
  237    HE2  PHE  33           HE2      PHE  33   3.698  -4.656  -2.291
  238    HZ   PHE  33           HZ       PHE  33   4.983  -2.532  -2.042
  239    H    THR  34           H        THR  34   8.047  -6.346  -6.799
  240    HA   THR  34           HA       THR  34   6.817  -9.085  -6.606
  241    HB   THR  34           HB       THR  34   9.671  -8.552  -7.381
  242    HG1  THR  34           HG1      THR  34   8.180  -7.848  -8.893
  243   HG21  THR  34          HG21      THR  34   7.960 -11.069  -7.322
  244   HG22  THR  34          HG22      THR  34   9.561 -10.931  -8.081
  245   HG23  THR  34          HG23      THR  34   9.388 -10.722  -6.334
  246    HA   PRO  35           HA       PRO  35   8.366  -8.122  -2.483
  247    HB2  PRO  35           HB2      PRO  35   6.776  -9.723  -1.030
  248    HB3  PRO  35           HB3      PRO  35   6.076  -8.349  -1.944
  249    HG2  PRO  35           HG2      PRO  35   6.226 -11.249  -2.787
  250    HG3  PRO  35           HG3      PRO  35   4.781 -10.190  -2.787
  251    HD2  PRO  35           HD2      PRO  35   6.330 -10.624  -5.008
  252    HD3  PRO  35           HD3      PRO  35   5.547  -9.041  -4.689
  253    H    HIS  36           H        HIS  36   9.501  -9.151  -0.746
  254    HA   HIS  36           HA       HIS  36  10.201 -12.033  -0.910
  255    HB2  HIS  36           HB2      HIS  36  12.408 -11.833  -1.478
  256    HB3  HIS  36           HB3      HIS  36  11.711 -10.565  -2.478
  257    HD1  HIS  36           HD1      HIS  36  14.300 -11.110   0.112
  258    HD2  HIS  36           HD2      HIS  36  12.075  -7.955  -1.502
  259    HE1  HIS  36           HE1      HIS  36  15.527  -8.970   0.843
  260    H    LEU  37           H        LEU  37   8.819 -10.247   1.010
  261    HA   LEU  37           HA       LEU  37  10.631 -10.117   3.328
  262    HB2  LEU  37           HB2      LEU  37   7.663  -9.470   3.312
  263    HB3  LEU  37           HB3      LEU  37   8.920  -8.951   4.448
  264    HG   LEU  37           HG       LEU  37   9.879  -7.891   2.088
  265   HD11  LEU  37          HD11      LEU  37   6.824  -7.713   1.973
  266   HD12  LEU  37          HD12      LEU  37   7.953  -6.790   0.973
  267   HD13  LEU  37          HD13      LEU  37   7.863  -8.547   0.796
  268   HD21  LEU  37          HD21      LEU  37   9.701  -6.725   4.203
  269   HD22  LEU  37          HD22      LEU  37   9.010  -5.762   2.893
  270   HD23  LEU  37          HD23      LEU  37   7.929  -6.601   4.033
  271    H    LYS  38           H        LYS  38  10.407 -11.237   5.228
  272    HA   LYS  38           HA       LYS  38   9.017 -13.863   4.909
  273    HB2  LYS  38           HB2      LYS  38  11.008 -14.820   5.914
  274    HB3  LYS  38           HB3      LYS  38  11.423 -13.790   4.551
  275    HG2  LYS  38           HG2      LYS  38  11.839 -11.905   6.353
  276    HG3  LYS  38           HG3      LYS  38  11.744 -13.227   7.538
  277    HD2  LYS  38           HD2      LYS  38  14.049 -12.831   7.017
  278    HD3  LYS  38           HD3      LYS  38  13.586 -14.385   6.298
  279    HE2  LYS  38           HE2      LYS  38  13.278 -13.235   4.071
  280    HE3  LYS  38           HE3      LYS  38  13.706 -11.706   4.812
  281    HZ1  LYS  38           HZ1      LYS  38  15.603 -12.863   3.700
  282    HZ2  LYS  38           HZ2      LYS  38  15.926 -12.544   5.261
  283    HZ3  LYS  38           HZ3      LYS  38  15.523 -14.070   4.834
  284    H    ALA  39           H        ALA  39   7.961 -11.549   6.476
  285    HA   ALA  39           HA       ALA  39   7.414 -12.893   9.059
  286    HB1  ALA  39           HB1      ALA  39   8.995 -10.294   8.850
  287    HB2  ALA  39           HB2      ALA  39   8.447 -11.063  10.353
  288    HB3  ALA  39           HB3      ALA  39   9.654 -11.869   9.332
  289    H    LEU  40           H        LEU  40   5.384 -12.589   7.414
  290    HA   LEU  40           HA       LEU  40   3.890 -10.276   8.504
  291    HB2  LEU  40           HB2      LEU  40   2.991 -10.834   5.751
  292    HB3  LEU  40           HB3      LEU  40   3.233  -9.380   6.633
  293    HG   LEU  40           HG       LEU  40   5.806  -9.691   6.064
  294   HD11  LEU  40          HD11      LEU  40   4.562 -11.735   4.180
  295   HD12  LEU  40          HD12      LEU  40   6.140 -10.974   3.915
  296   HD13  LEU  40          HD13      LEU  40   5.891 -11.980   5.325
  297   HD21  LEU  40          HD21      LEU  40   4.353  -7.982   5.039
  298   HD22  LEU  40          HD22      LEU  40   5.461  -8.663   3.841
  299   HD23  LEU  40          HD23      LEU  40   3.759  -9.170   3.861
  300    HA   PRO  41           HA       PRO  41   0.715 -13.055   9.150
  301    HB2  PRO  41           HB2      PRO  41  -1.660 -11.680   8.523
  302    HB3  PRO  41           HB3      PRO  41  -0.719 -11.479  10.027
  303    HG2  PRO  41           HG2      PRO  41  -0.535  -9.874   7.503
  304    HG3  PRO  41           HG3      PRO  41  -0.694  -9.270   9.188
  305    HD2  PRO  41           HD2      PRO  41   1.736  -9.361   8.117
  306    HD3  PRO  41           HD3      PRO  41   1.451 -10.052   9.752
  307    HA   PRO  42           HA       PRO  42   1.189 -14.846   5.559
  308    HB2  PRO  42           HB2      PRO  42   0.565 -17.403   6.021
  309    HB3  PRO  42           HB3      PRO  42   1.485 -16.440   7.197
  310    HG2  PRO  42           HG2      PRO  42  -1.503 -16.864   7.186
  311    HG3  PRO  42           HG3      PRO  42  -0.358 -17.315   8.495
  312    HD2  PRO  42           HD2      PRO  42  -1.580 -14.879   8.542
  313    HD3  PRO  42           HD3      PRO  42   0.140 -15.068   9.011
  314    H    GLY  43           H        GLY  43  -1.478 -13.544   5.291
  315    HA2  GLY  43           HA2      GLY  43  -2.929 -15.340   3.379
  316    HA3  GLY  43           HA3      GLY  43  -3.638 -14.006   4.313
  317    H    GLU  44           H        GLU  44  -4.682 -13.312   2.535
  318    HA   GLU  44           HA       GLU  44  -3.279 -12.124   0.218
  319    HB2  GLU  44           HB2      GLU  44  -6.246 -12.354   0.890
  320    HB3  GLU  44           HB3      GLU  44  -5.557 -11.821  -0.650
  321    HG2  GLU  44           HG2      GLU  44  -4.581 -14.064  -1.015
  322    HG3  GLU  44           HG3      GLU  44  -5.199 -14.616   0.558
  323    H    HIS  45           H        HIS  45  -3.361  -9.830  -0.215
  324    HA   HIS  45           HA       HIS  45  -4.124  -8.027   2.048
  325    HB2  HIS  45           HB2      HIS  45  -1.401  -8.485   0.736
  326    HB3  HIS  45           HB3      HIS  45  -1.723  -7.111   1.769
  327    HD1  HIS  45           HD1      HIS  45  -2.901  -8.259   4.336
  328    HD2  HIS  45           HD2      HIS  45  -0.535 -10.576   1.775
  329    HE1  HIS  45           HE1      HIS  45  -2.042 -10.239   5.743
  330    HE2  HIS  45           HE2      HIS  45  -0.480 -11.612   4.191
  331    H    GLY  46           H        GLY  46  -4.584  -5.901   1.438
  332    HA2  GLY  46           HA2      GLY  46  -4.559  -4.983  -1.230
  333    HA3  GLY  46           HA3      GLY  46  -4.642  -3.982   0.237
  334    H    PHE  47           H        PHE  47  -3.082  -3.413  -2.178
  335    HA   PHE  47           HA       PHE  47  -0.670  -2.551  -0.726
  336    HB2  PHE  47           HB2      PHE  47   0.538  -4.170  -1.784
  337    HB3  PHE  47           HB3      PHE  47  -0.699  -4.428  -3.021
  338    HD1  PHE  47           HD1      PHE  47   1.743  -1.634  -2.176
  339    HD2  PHE  47           HD2      PHE  47   0.131  -4.326  -5.108
  340    HE1  PHE  47           HE1      PHE  47   3.236  -0.619  -3.949
  341    HE2  PHE  47           HE2      PHE  47   1.487  -3.192  -6.894
  342    HZ   PHE  47           HZ       PHE  47   2.947  -1.286  -6.324
  343    H    HIS  48           H        HIS  48  -0.902  -0.353  -0.828
  344    HA   HIS  48           HA       HIS  48  -1.809   0.798  -3.499
  345    HB2  HIS  48           HB2      HIS  48  -2.139   2.112  -0.763
  346    HB3  HIS  48           HB3      HIS  48  -2.872   2.643  -2.275
  347    HD2  HIS  48           HD2      HIS  48  -4.248  -0.105  -3.174
  348    HE1  HIS  48           HE1      HIS  48  -6.181  -0.068   0.603
  349    HE2  HIS  48           HE2      HIS  48  -6.194  -0.990  -1.817
  350    H    ILE  49           H        ILE  49  -1.343   3.059  -3.854
  351    HA   ILE  49           HA       ILE  49   1.229   4.107  -2.732
  352    HB   ILE  49           HB       ILE  49  -0.240   4.845  -5.284
  353   HG12  ILE  49          HG12      ILE  49   2.619   3.853  -5.109
  354   HG13  ILE  49          HG13      ILE  49   1.304   2.666  -5.073
  355   HG21  ILE  49          HG21      ILE  49   2.370   5.978  -4.142
  356   HG22  ILE  49          HG22      ILE  49   1.706   6.357  -5.738
  357   HG23  ILE  49          HG23      ILE  49   0.834   6.873  -4.303
  358   HD11  ILE  49          HD11      ILE  49   1.778   4.672  -7.288
  359   HD12  ILE  49          HD12      ILE  49   2.117   2.925  -7.321
  360   HD13  ILE  49          HD13      ILE  49   0.441   3.500  -7.214
  361    H    HIS  50           H        HIS  50   1.248   6.080  -1.814
  362    HA   HIS  50           HA       HIS  50  -1.346   7.273  -0.963
  363    HB2  HIS  50           HB2      HIS  50   0.933   6.139   0.667
  364    HB3  HIS  50           HB3      HIS  50   0.033   7.512   1.275
  365    HD1  HIS  50           HD1      HIS  50  -1.497   6.646   3.047
  366    HD2  HIS  50           HD2      HIS  50  -1.373   4.172  -0.312
  367    HE1  HIS  50           HE1      HIS  50  -3.116   4.724   3.549
  368    H    ALA  51           H        ALA  51  -1.307   9.488  -0.638
  369    HA   ALA  51           HA       ALA  51   0.057  10.734  -2.653
  370    HB1  ALA  51           HB1      ALA  51  -1.414  11.997  -0.314
  371    HB2  ALA  51           HB2      ALA  51  -1.075  12.786  -1.862
  372    HB3  ALA  51           HB3      ALA  51  -2.152  11.376  -1.791
  373    H    ASN  52           H        ASN  52   1.209  10.812   0.687
  374    HA   ASN  52           HA       ASN  52   3.640  12.226  -0.404
  375    HB2  ASN  52           HB2      ASN  52   2.715  12.433   2.460
  376    HB3  ASN  52           HB3      ASN  52   3.950  13.386   1.651
  377   HD21  ASN  52          HD21      ASN  52   0.940  13.627   2.882
  378   HD22  ASN  52          HD22      ASN  52   0.243  14.808   1.760
  379    H    GLY  53           H        GLY  53   5.674  11.541   0.303
  380    HA2  GLY  53           HA2      GLY  53   5.971   8.872   1.469
  381    HA3  GLY  53           HA3      GLY  53   7.264   9.999   1.015
  382    H    SER  54           H        SER  54   4.803   9.343   3.528
  383    HA   SER  54           HA       SER  54   6.689   9.900   5.665
  384    HB2  SER  54           HB2      SER  54   6.038  12.232   4.910
  385    HB3  SER  54           HB3      SER  54   4.413  11.885   5.515
  386    HG   SER  54           HG       SER  54   5.754  12.867   7.113
  387    H    CYS  55           H        CYS  55   5.839   7.596   5.791
  388    HA   CYS  55           HA       CYS  55   3.257   6.955   6.537
  389    HB2  CYS  55           HB2      CYS  55   5.882   5.550   7.122
  390    HB3  CYS  55           HB3      CYS  55   4.301   4.792   7.074
  391    H    GLN  56           H        GLN  56   4.737   8.973   8.567
  392    HA   GLN  56           HA       GLN  56   4.570   7.364  11.033
  393    HB2  GLN  56           HB2      GLN  56   5.297  10.273  10.604
  394    HB3  GLN  56           HB3      GLN  56   5.223   9.502  12.187
  395    HG2  GLN  56           HG2      GLN  56   7.072   8.552   9.944
  396    HG3  GLN  56           HG3      GLN  56   7.523   9.708  11.184
  397   HE21  GLN  56          HE21      GLN  56   9.095   8.550  12.375
  398   HE22  GLN  56          HE22      GLN  56   8.719   7.002  13.114
  399    HA   PRO  57           HA       PRO  57   0.401   8.928  11.853
  400    HB2  PRO  57           HB2      PRO  57  -0.175   7.565  14.115
  401    HB3  PRO  57           HB3      PRO  57   0.051   6.706  12.565
  402    HG2  PRO  57           HG2      PRO  57   2.087   7.104  14.781
  403    HG3  PRO  57           HG3      PRO  57   1.647   5.584  13.938
  404    HD2  PRO  57           HD2      PRO  57   3.802   7.157  13.213
  405    HD3  PRO  57           HD3      PRO  57   2.871   6.174  12.034
  406    H    ALA  58           H        ALA  58  -0.685  10.315  13.460
  407    HA   ALA  58           HA       ALA  58   0.794  10.665  15.992
  408    HB1  ALA  58           HB1      ALA  58  -0.735  12.897  14.595
  409    HB2  ALA  58           HB2      ALA  58   0.119  13.002  16.152
  410    HB3  ALA  58           HB3      ALA  58   1.023  12.769  14.653
  411    H    ILE  59           H        ILE  59  -1.164  11.899  17.424
  412    HA   ILE  59           HA       ILE  59  -3.340   9.844  17.508
  413    HB   ILE  59           HB       ILE  59  -2.483  11.790  19.682
  414   HG12  ILE  59          HG12      ILE  59  -0.602  10.324  19.389
  415   HG13  ILE  59          HG13      ILE  59  -1.451   9.879  20.852
  416   HG21  ILE  59          HG21      ILE  59  -4.340   9.379  19.737
  417   HG22  ILE  59          HG22      ILE  59  -3.762  10.240  21.177
  418   HG23  ILE  59          HG23      ILE  59  -4.772  11.081  20.005
  419   HD11  ILE  59          HD11      ILE  59  -1.553   8.389  18.194
  420   HD12  ILE  59          HD12      ILE  59  -0.734   7.881  19.675
  421   HD13  ILE  59          HD13      ILE  59  -2.503   7.945  19.634
  422    H    LYS  60           H        LYS  60  -5.438  10.437  17.538
  423    HA   LYS  60           HA       LYS  60  -6.486  13.128  17.669
  424    HB2  LYS  60           HB2      LYS  60  -5.690  12.019  15.069
  425    HB3  LYS  60           HB3      LYS  60  -7.423  12.293  15.112
  426    HG2  LYS  60           HG2      LYS  60  -7.214  14.592  15.473
  427    HG3  LYS  60           HG3      LYS  60  -5.554  14.496  16.050
  428    HD2  LYS  60           HD2      LYS  60  -6.012  13.545  13.233
  429    HD3  LYS  60           HD3      LYS  60  -6.263  15.258  13.532
  430    HE2  LYS  60           HE2      LYS  60  -3.966  14.821  12.778
  431    HE3  LYS  60           HE3      LYS  60  -4.017  15.558  14.381
  432    HZ1  LYS  60           HZ1      LYS  60  -3.538  12.670  13.842
  433    HZ2  LYS  60           HZ2      LYS  60  -2.422  13.731  14.112
  434    HZ3  LYS  60           HZ3      LYS  60  -3.504  13.400  15.345
  435    H    ASP  61           H        ASP  61  -8.664  13.063  18.142
  436    HA   ASP  61           HA       ASP  61 -10.471  12.205  19.156
  437    HB2  ASP  61           HB2      ASP  61 -10.807  11.644  16.659
  438    HB3  ASP  61           HB3      ASP  61 -10.492   9.968  17.099
  439    H    GLY  62           H        GLY  62  -8.018  11.393  20.280
  440    HA2  GLY  62           HA2      GLY  62  -7.299  10.108  22.071
  441    HA3  GLY  62           HA3      GLY  62  -8.809   9.178  21.977
  442    H    GLN  63           H        GLN  63  -7.368   9.007  18.946
  443    HA   GLN  63           HA       GLN  63  -5.914   6.488  19.590
  444    HB2  GLN  63           HB2      GLN  63  -7.261   5.377  17.755
  445    HB3  GLN  63           HB3      GLN  63  -8.066   5.725  19.269
  446    HG2  GLN  63           HG2      GLN  63  -9.723   6.291  17.846
  447    HG3  GLN  63           HG3      GLN  63  -9.008   7.872  18.036
  448   HE21  GLN  63          HE21      GLN  63  -7.305   8.455  16.201
  449   HE22  GLN  63          HE22      GLN  63  -7.738   7.838  14.606
  450    H    ALA  64           H        ALA  64  -4.651   5.563  17.765
  451    HA   ALA  64           HA       ALA  64  -3.137   7.761  16.573
  452    HB1  ALA  64           HB1      ALA  64  -2.655   4.757  16.537
  453    HB2  ALA  64           HB2      ALA  64  -1.488   6.018  16.087
  454    HB3  ALA  64           HB3      ALA  64  -2.030   5.878  17.767
  455    H    VAL  65           H        VAL  65  -3.146   8.397  14.464
  456    HA   VAL  65           HA       VAL  65  -5.169   7.186  12.764
  457    HB   VAL  65           HB       VAL  65  -3.460   9.489  11.864
  458   HG11  VAL  65          HG11      VAL  65  -6.401   8.769  11.410
  459   HG12  VAL  65          HG12      VAL  65  -5.580  10.206  10.766
  460   HG13  VAL  65          HG13      VAL  65  -5.119   8.607  10.201
  461   HG21  VAL  65          HG21      VAL  65  -4.227  10.114  14.138
  462   HG22  VAL  65          HG22      VAL  65  -5.153  11.001  12.935
  463   HG23  VAL  65          HG23      VAL  65  -5.878   9.593  13.742
  464    H    ALA  66           H        ALA  66  -3.039   5.437  13.133
  465    HA   ALA  66           HA       ALA  66  -1.956   3.742  12.094
  466    HB1  ALA  66           HB1      ALA  66  -3.970   4.487   9.938
  467    HB2  ALA  66           HB2      ALA  66  -3.288   2.876  10.255
  468    HB3  ALA  66           HB3      ALA  66  -4.349   3.637  11.452
  469    H    ALA  67           H        ALA  67  -1.307   6.601  10.605
  470    HA   ALA  67           HA       ALA  67   1.075   6.819   9.704
  471    HB1  ALA  67           HB1      ALA  67  -0.104   5.074   7.500
  472    HB2  ALA  67           HB2      ALA  67   1.407   5.980   7.428
  473    HB3  ALA  67           HB3      ALA  67   1.257   4.653   8.577
  474    H    GLU  68           H        GLU  68   0.713   8.968   9.522
  475    HA   GLU  68           HA       GLU  68  -2.008   9.775   8.658
  476    HB2  GLU  68           HB2      GLU  68  -1.327   9.944  10.998
  477    HB3  GLU  68           HB3      GLU  68   0.030  10.989  10.575
  478    HG2  GLU  68           HG2      GLU  68  -1.528  12.744   9.831
  479    HG3  GLU  68           HG3      GLU  68  -2.906  11.677  10.169
  480    H    ALA  69           H        ALA  69   1.299  11.269   8.696
  481    HA   ALA  69           HA       ALA  69   0.597  13.397   6.943
  482    HB1  ALA  69           HB1      ALA  69   3.289  12.160   7.660
  483    HB2  ALA  69           HB2      ALA  69   3.069  13.727   6.843
  484    HB3  ALA  69           HB3      ALA  69   2.476  13.497   8.497
  485    H    ALA  70           H        ALA  70   1.369  10.124   6.201
  486    HA   ALA  70           HA       ALA  70   2.176  10.192   3.550
  487    HB1  ALA  70           HB1      ALA  70   0.356   8.190   4.957
  488    HB2  ALA  70           HB2      ALA  70   1.291   7.888   3.470
  489    HB3  ALA  70           HB3      ALA  70   2.135   8.199   4.990
  490    H    GLY  71           H        GLY  71  -0.859  11.420   4.565
  491    HA2  GLY  71           HA2      GLY  71  -1.905  12.881   3.079
  492    HA3  GLY  71           HA3      GLY  71  -1.216  12.020   1.723
  493    H    GLY  72           H        GLY  72  -3.109  10.283   4.098
  494    HA2  GLY  72           HA2      GLY  72  -5.364   9.531   4.083
  495    HA3  GLY  72           HA3      GLY  72  -5.645  10.428   2.573
  496    H    HIS  73           H        HIS  73  -6.083   9.104   0.942
  497    HA   HIS  73           HA       HIS  73  -4.141   6.888   0.393
  498    HB2  HIS  73           HB2      HIS  73  -6.982   7.201  -0.605
  499    HB3  HIS  73           HB3      HIS  73  -5.755   6.413  -1.604
  500    HD2  HIS  73           HD2      HIS  73  -5.146   5.526   1.955
  501    HE1  HIS  73           HE1      HIS  73  -7.210   2.193   0.364
  502    HE2  HIS  73           HE2      HIS  73  -5.811   3.071   2.314
  503    H    LEU  74           H        LEU  74  -5.807   8.494  -2.189
  504    HA   LEU  74           HA       LEU  74  -4.038  10.624  -2.816
  505    HB2  LEU  74           HB2      LEU  74  -2.314   8.973  -3.084
  506    HB3  LEU  74           HB3      LEU  74  -3.359   7.875  -3.955
  507    HG   LEU  74           HG       LEU  74  -3.358   9.392  -5.902
  508   HD11  LEU  74          HD11      LEU  74  -1.415  11.105  -4.295
  509   HD12  LEU  74          HD12      LEU  74  -1.824  11.320  -6.005
  510   HD13  LEU  74          HD13      LEU  74  -3.062  11.584  -4.770
  511   HD21  LEU  74          HD21      LEU  74  -1.621   7.638  -5.680
  512   HD22  LEU  74          HD22      LEU  74  -0.999   9.056  -6.538
  513   HD23  LEU  74          HD23      LEU  74  -0.564   8.790  -4.835
  514    H    ASP  75           H        ASP  75  -5.936  11.705  -3.332
  515    HA   ASP  75           HA       ASP  75  -7.312  11.075  -5.836
  516    HB2  ASP  75           HB2      ASP  75  -8.447   9.609  -4.273
  517    HB3  ASP  75           HB3      ASP  75  -8.762  10.941  -3.170
  518    HA   PRO  76           HA       PRO  76  -7.681  15.571  -5.179
  519    HB2  PRO  76           HB2      PRO  76  -7.863  16.396  -7.734
  520    HB3  PRO  76           HB3      PRO  76  -6.358  15.673  -7.098
  521    HG2  PRO  76           HG2      PRO  76  -8.538  14.298  -8.712
  522    HG3  PRO  76           HG3      PRO  76  -6.768  14.264  -8.988
  523    HD2  PRO  76           HD2      PRO  76  -8.132  12.312  -7.589
  524    HD3  PRO  76           HD3      PRO  76  -6.430  12.743  -7.252
  525    H    GLN  77           H        GLN  77 -10.150  13.595  -6.921
  526    HA   GLN  77           HA       GLN  77 -12.313  15.493  -6.278
  527    HB2  GLN  77           HB2      GLN  77 -11.379  15.122  -9.164
  528    HB3  GLN  77           HB3      GLN  77 -12.897  15.876  -8.686
  529    HG2  GLN  77           HG2      GLN  77 -11.578  17.645  -7.458
  530    HG3  GLN  77           HG3      GLN  77 -10.121  16.984  -8.222
  531   HE21  GLN  77          HE21      GLN  77 -10.960  16.487 -10.869
  532   HE22  GLN  77          HE22      GLN  77 -11.415  18.016 -11.583
  533    H    ASN  78           H        ASN  78 -11.336  12.307  -6.965
  534    HA   ASN  78           HA       ASN  78 -13.369  11.543  -8.805
  535    HB2  ASN  78           HB2      ASN  78 -11.558   9.802  -7.070
  536    HB3  ASN  78           HB3      ASN  78 -12.470   9.277  -8.470
  537   HD21  ASN  78          HD21      ASN  78 -10.110   8.537  -8.798
  538   HD22  ASN  78          HD22      ASN  78  -9.196   9.613  -9.870
  539    H    THR  79           H        THR  79 -12.938  10.774  -5.317
  540    HA   THR  79           HA       THR  79 -15.831  10.466  -4.926
  541    HB   THR  79           HB       THR  79 -15.397   8.352  -6.033
  542    HG1  THR  79           HG1      THR  79 -16.845   8.355  -4.362
  543   HG21  THR  79          HG21      THR  79 -13.366   7.718  -3.838
  544   HG22  THR  79          HG22      THR  79 -14.016   6.607  -5.049
  545   HG23  THR  79          HG23      THR  79 -13.010   7.974  -5.558
  546    H    GLY  80           H        GLY  80 -12.581  10.046  -3.505
  547    HA2  GLY  80           HA2      GLY  80 -11.883  10.319  -1.313
  548    HA3  GLY  80           HA3      GLY  80 -13.515  10.847  -0.848
  549    H    LYS  81           H        LYS  81 -14.596   8.173  -2.073
  550    HA   LYS  81           HA       LYS  81 -14.580   6.724   0.411
  551    HB2  LYS  81           HB2      LYS  81 -15.672   5.944  -2.327
  552    HB3  LYS  81           HB3      LYS  81 -15.961   5.064  -0.820
  553    HG2  LYS  81           HG2      LYS  81 -17.011   7.118   0.159
  554    HG3  LYS  81           HG3      LYS  81 -16.760   7.952  -1.377
  555    HD2  LYS  81           HD2      LYS  81 -18.994   7.269  -1.382
  556    HD3  LYS  81           HD3      LYS  81 -18.179   6.168  -2.500
  557    HE2  LYS  81           HE2      LYS  81 -18.181   4.380  -0.766
  558    HE3  LYS  81           HE3      LYS  81 -18.790   5.542   0.425
  559    HZ1  LYS  81           HZ1      LYS  81 -20.267   4.427  -1.867
  560    HZ2  LYS  81           HZ2      LYS  81 -20.682   4.430  -0.266
  561    HZ3  LYS  81           HZ3      LYS  81 -20.745   5.811  -1.116
  562    H    HIS  82           H        HIS  82 -13.822   5.090  -2.642
  563    HA   HIS  82           HA       HIS  82 -11.254   4.345  -2.628
  564    HB2  HIS  82           HB2      HIS  82 -11.340   3.448  -0.334
  565    HB3  HIS  82           HB3      HIS  82 -12.669   2.377  -0.786
  566    HD2  HIS  82           HD2      HIS  82 -11.941   0.038  -1.659
  567    HE1  HIS  82           HE1      HIS  82  -7.901   0.763  -2.675
  568    HE2  HIS  82           HE2      HIS  82  -9.766  -0.914  -2.700
  569    H    GLU  83           H        GLU  83 -10.748   2.521  -4.028
  570    HA   GLU  83           HA       GLU  83 -12.740   1.982  -6.070
  571    HB2  GLU  83           HB2      GLU  83 -10.144   2.353  -6.240
  572    HB3  GLU  83           HB3      GLU  83 -10.016   0.675  -5.769
  573    HG2  GLU  83           HG2      GLU  83 -10.385   0.056  -7.916
  574    HG3  GLU  83           HG3      GLU  83 -11.979   0.784  -7.877
  575    H    GLY  84           H        GLY  84 -11.820  -0.751  -6.622
  576    HA2  GLY  84           HA2      GLY  84 -11.701  -2.892  -5.592
  577    HA3  GLY  84           HA3      GLY  84 -12.860  -2.380  -4.352
  578    HA   PRO  85           HA       PRO  85 -15.927  -4.165  -7.030
  579    HB2  PRO  85           HB2      PRO  85 -18.249  -3.190  -6.077
  580    HB3  PRO  85           HB3      PRO  85 -17.119  -4.071  -5.005
  581    HG2  PRO  85           HG2      PRO  85 -17.428  -1.067  -5.319
  582    HG3  PRO  85           HG3      PRO  85 -17.370  -2.020  -3.801
  583    HD2  PRO  85           HD2      PRO  85 -15.181  -0.769  -4.959
  584    HD3  PRO  85           HD3      PRO  85 -15.050  -2.213  -3.914
  585    H    GLU  86           H        GLU  86 -15.249  -0.814  -7.516
  586    HA   GLU  86           HA       GLU  86 -16.653  -0.722 -10.064
  587    HB2  GLU  86           HB2      GLU  86 -17.570   0.767  -7.624
  588    HB3  GLU  86           HB3      GLU  86 -17.410   1.741  -9.072
  589    HG2  GLU  86           HG2      GLU  86 -19.068  -0.811  -8.952
  590    HG3  GLU  86           HG3      GLU  86 -19.690   0.816  -8.703
  591    H    GLY  87           H        GLY  87 -15.814   0.824 -11.438
  592    HA2  GLY  87           HA2      GLY  87 -13.005   1.559 -10.841
  593    HA3  GLY  87           HA3      GLY  87 -13.797   1.563 -12.436
  594    H    GLN  88           H        GLN  88 -13.220   3.319  -9.503
  595    HA   GLN  88           HA       GLN  88 -13.873   5.965 -10.471
  596    HB2  GLN  88           HB2      GLN  88 -16.102   4.271  -9.678
  597    HB3  GLN  88           HB3      GLN  88 -15.986   5.544  -8.508
  598    HG2  GLN  88           HG2      GLN  88 -16.000   6.100 -11.508
  599    HG3  GLN  88           HG3      GLN  88 -17.474   5.864 -10.582
  600   HE21  GLN  88          HE21      GLN  88 -15.138   7.600  -8.636
  601   HE22  GLN  88          HE22      GLN  88 -15.862   9.166  -8.952
  602    H    GLY  89           H        GLY  89 -11.991   4.286  -8.612
  603    HA2  GLY  89           HA2      GLY  89 -12.431   5.432  -5.954
  604    HA3  GLY  89           HA3      GLY  89 -11.250   4.219  -6.465
  605    H    HIS  90           H        HIS  90  -9.834   5.281  -5.043
  606    HA   HIS  90           HA       HIS  90  -8.779   7.937  -5.711
  607    HB2  HIS  90           HB2      HIS  90  -7.361   5.933  -3.965
  608    HB3  HIS  90           HB3      HIS  90  -7.359   7.662  -3.855
  609    HD2  HIS  90           HD2      HIS  90  -9.946   8.721  -2.922
  610    HE1  HIS  90           HE1      HIS  90 -10.160   5.584  -0.080
  611    HE2  HIS  90           HE2      HIS  90 -10.974   7.908  -0.691
  612    H    LEU  91           H        LEU  91  -6.976   8.278  -7.074
  613    HA   LEU  91           HA       LEU  91  -6.307   6.143  -8.865
  614    HB2  LEU  91           HB2      LEU  91  -5.107   7.808 -10.125
  615    HB3  LEU  91           HB3      LEU  91  -6.657   8.399  -9.581
  616    HG   LEU  91           HG       LEU  91  -5.269   9.527  -7.620
  617   HD11  LEU  91          HD11      LEU  91  -3.130   9.191  -9.781
  618   HD12  LEU  91          HD12      LEU  91  -3.015  10.262  -8.371
  619   HD13  LEU  91          HD13      LEU  91  -3.063   8.514  -8.143
  620   HD21  LEU  91          HD21      LEU  91  -6.539  10.743  -9.332
  621   HD22  LEU  91          HD22      LEU  91  -4.985  11.533  -9.029
  622   HD23  LEU  91          HD23      LEU  91  -5.205  10.545 -10.490
  623    H    GLY  92           H        GLY  92  -5.075   6.361  -5.904
  624    HA2  GLY  92           HA2      GLY  92  -2.445   5.110  -6.599
  625    HA3  GLY  92           HA3      GLY  92  -2.916   5.726  -4.997
  626    H    ASP  93           H        ASP  93  -5.602   4.068  -6.142
  627    HA   ASP  93           HA       ASP  93  -5.034   1.739  -4.455
  628    HB2  ASP  93           HB2      ASP  93  -7.487   2.630  -6.017
  629    HB3  ASP  93           HB3      ASP  93  -7.420   1.209  -4.991
  630    H    LEU  94           H        LEU  94  -5.311  -0.498  -5.232
  631    HA   LEU  94           HA       LEU  94  -3.926  -0.920  -7.812
  632    HB2  LEU  94           HB2      LEU  94  -2.674  -0.010  -5.307
  633    HB3  LEU  94           HB3      LEU  94  -2.019  -1.562  -5.803
  634    HG   LEU  94           HG       LEU  94  -0.962  -0.771  -7.600
  635   HD11  LEU  94          HD11      LEU  94  -2.394   1.910  -7.487
  636   HD12  LEU  94          HD12      LEU  94  -1.076   1.481  -8.589
  637   HD13  LEU  94          HD13      LEU  94  -2.633   0.660  -8.736
  638   HD21  LEU  94          HD21      LEU  94  -0.039  -0.117  -5.400
  639   HD22  LEU  94          HD22      LEU  94   0.508   0.896  -6.746
  640   HD23  LEU  94          HD23      LEU  94  -0.743   1.496  -5.635
  641    HA   PRO  95           HA       PRO  95  -5.193  -4.986  -7.188
  642    HB2  PRO  95           HB2      PRO  95  -3.253  -6.614  -8.257
  643    HB3  PRO  95           HB3      PRO  95  -4.254  -5.497  -9.236
  644    HG2  PRO  95           HG2      PRO  95  -1.470  -5.014  -8.124
  645    HG3  PRO  95           HG3      PRO  95  -2.054  -4.752  -9.799
  646    HD2  PRO  95           HD2      PRO  95  -1.909  -2.728  -8.008
  647    HD3  PRO  95           HD3      PRO  95  -3.271  -2.822  -9.169
  648    H    VAL  96           H        VAL  96  -5.197  -6.812  -5.899
  649    HA   VAL  96           HA       VAL  96  -3.847  -6.489  -3.417
  650    HB   VAL  96           HB       VAL  96  -4.966  -8.618  -2.707
  651   HG11  VAL  96          HG11      VAL  96  -6.766  -6.502  -3.956
  652   HG12  VAL  96          HG12      VAL  96  -7.185  -7.609  -2.632
  653   HG13  VAL  96          HG13      VAL  96  -5.945  -6.371  -2.388
  654   HG21  VAL  96          HG21      VAL  96  -5.182  -9.793  -4.859
  655   HG22  VAL  96          HG22      VAL  96  -6.748  -9.548  -4.078
  656   HG23  VAL  96          HG23      VAL  96  -6.280  -8.522  -5.451
  657    H    LEU  97           H        LEU  97  -2.233  -7.316  -2.535
  658    HA   LEU  97           HA       LEU  97  -0.217  -8.907  -3.949
  659    HB2  LEU  97           HB2      LEU  97   0.141  -6.717  -2.608
  660    HB3  LEU  97           HB3      LEU  97  -0.279  -7.609  -1.177
  661    HG   LEU  97           HG       LEU  97   1.665  -9.101  -1.522
  662   HD11  LEU  97          HD11      LEU  97   2.196  -7.328  -3.906
  663   HD12  LEU  97          HD12      LEU  97   3.485  -8.267  -3.114
  664   HD13  LEU  97          HD13      LEU  97   2.106  -9.096  -3.856
  665   HD21  LEU  97          HD21      LEU  97   1.838  -7.175  -0.054
  666   HD22  LEU  97          HD22      LEU  97   3.377  -7.408  -0.899
  667   HD23  LEU  97          HD23      LEU  97   2.254  -6.129  -1.426
  668    H    VAL  98           H        VAL  98   0.133 -11.096  -3.480
  669    HA   VAL  98           HA       VAL  98  -1.302 -12.297  -1.133
  670    HB   VAL  98           HB       VAL  98  -0.183 -13.598  -3.629
  671   HG11  VAL  98          HG11      VAL  98  -1.606 -14.841  -1.227
  672   HG12  VAL  98          HG12      VAL  98  -1.295 -15.677  -2.765
  673   HG13  VAL  98          HG13      VAL  98   0.060 -15.170  -1.759
  674   HG21  VAL  98          HG21      VAL  98  -2.270 -12.385  -4.060
  675   HG22  VAL  98          HG22      VAL  98  -2.574 -14.123  -4.087
  676   HG23  VAL  98          HG23      VAL  98  -3.042 -13.166  -2.665
  677    H    VAL  99           H        VAL  99  -0.222 -13.265   0.502
  678    HA   VAL  99           HA       VAL  99   2.662 -13.848   0.121
  679    HB   VAL  99           HB       VAL  99   3.318 -13.386   2.285
  680   HG11  VAL  99          HG11      VAL  99   1.433 -11.080   1.760
  681   HG12  VAL  99          HG12      VAL  99   2.900 -11.047   2.730
  682   HG13  VAL  99          HG13      VAL  99   2.977 -11.293   0.961
  683   HG21  VAL  99          HG21      VAL  99   1.525 -14.365   3.549
  684   HG22  VAL  99          HG22      VAL  99   2.002 -12.790   4.188
  685   HG23  VAL  99          HG23      VAL  99   0.506 -12.940   3.246
  686    H    ASN 100           H        ASN 100   3.276 -15.908   1.173
  687    HA   ASN 100           HA       ASN 100   1.045 -17.766   0.758
  688    HB2  ASN 100           HB2      ASN 100   2.571 -19.343   0.295
  689    HB3  ASN 100           HB3      ASN 100   3.605 -17.951  -0.004
  690   HD21  ASN 100          HD21      ASN 100   5.143 -17.343   1.818
  691   HD22  ASN 100          HD22      ASN 100   5.651 -18.675   2.880
  692    H    ASN 101           H        ASN 101   0.511 -19.518   2.196
  693    HA   ASN 101           HA       ASN 101  -0.332 -18.652   4.675
  694    HB2  ASN 101           HB2      ASN 101  -1.248 -20.779   5.001
  695    HB3  ASN 101           HB3      ASN 101  -1.338 -20.426   3.278
  696   HD21  ASN 101          HD21      ASN 101   0.612 -22.133   5.759
  697   HD22  ASN 101          HD22      ASN 101   1.320 -23.272   4.638
  698    H    ASP 102           H        ASP 102   2.875 -19.701   4.094
  699    HA   ASP 102           HA       ASP 102   3.394 -20.591   6.847
  700    HB2  ASP 102           HB2      ASP 102   4.436 -21.583   4.727
  701    HB3  ASP 102           HB3      ASP 102   5.425 -20.118   4.636
  702    H    GLY 103           H        GLY 103   3.245 -17.553   5.300
  703    HA2  GLY 103           HA2      GLY 103   3.400 -15.540   6.565
  704    HA3  GLY 103           HA3      GLY 103   4.689 -16.232   7.565
  705    H    ILE 104           H        ILE 104   4.955 -16.540   4.097
  706    HA   ILE 104           HA       ILE 104   6.933 -14.284   4.011
  707    HB   ILE 104           HB       ILE 104   7.315 -17.031   2.716
  708   HG12  ILE 104          HG12      ILE 104   9.456 -16.840   4.381
  709   HG13  ILE 104          HG13      ILE 104   8.281 -15.974   5.359
  710   HG21  ILE 104          HG21      ILE 104   9.240 -14.683   2.837
  711   HG22  ILE 104          HG22      ILE 104   9.565 -16.281   2.151
  712   HG23  ILE 104          HG23      ILE 104   8.360 -15.248   1.401
  713   HD11  ILE 104          HD11      ILE 104   7.950 -18.798   4.232
  714   HD12  ILE 104          HD12      ILE 104   8.398 -18.384   5.895
  715   HD13  ILE 104          HD13      ILE 104   6.786 -17.973   5.292
  716    H    ALA 105           H        ALA 105   6.935 -13.036   2.280
  717    HA   ALA 105           HA       ALA 105   4.731 -13.287   0.330
  718    HB1  ALA 105           HB1      ALA 105   6.700 -11.022   0.879
  719    HB2  ALA 105           HB2      ALA 105   5.163 -10.928  -0.030
  720    HB3  ALA 105           HB3      ALA 105   5.159 -11.201   1.720
  721    H    THR 106           H        THR 106   5.050 -13.669  -1.794
  722    HA   THR 106           HA       THR 106   7.570 -13.170  -3.162
  723    HB   THR 106           HB       THR 106   8.063 -15.262  -1.986
  724    HG1  THR 106           HG1      THR 106   9.116 -16.023  -3.696
  725   HG21  THR 106          HG21      THR 106   6.055 -16.530  -3.908
  726   HG22  THR 106          HG22      THR 106   7.163 -17.382  -2.817
  727   HG23  THR 106          HG23      THR 106   5.849 -16.404  -2.144
  728    H    GLU 107           H        GLU 107   4.169 -13.923  -3.352
  729    HA   GLU 107           HA       GLU 107   4.021 -14.375  -6.187
  730    HB2  GLU 107           HB2      GLU 107   2.044 -13.469  -4.097
  731    HB3  GLU 107           HB3      GLU 107   1.596 -13.549  -5.795
  732    HG2  GLU 107           HG2      GLU 107   2.724 -15.978  -4.361
  733    HG3  GLU 107           HG3      GLU 107   1.017 -15.554  -4.273
  734    HA   PRO 108           HA       PRO 108   4.633  -9.956  -7.095
  735    HB2  PRO 108           HB2      PRO 108   4.972 -10.084  -9.793
  736    HB3  PRO 108           HB3      PRO 108   6.207 -10.714  -8.668
  737    HG2  PRO 108           HG2      PRO 108   4.028 -12.276 -10.092
  738    HG3  PRO 108           HG3      PRO 108   5.780 -12.653 -10.004
  739    HD2  PRO 108           HD2      PRO 108   3.928 -13.775  -8.310
  740    HD3  PRO 108           HD3      PRO 108   5.600 -13.413  -7.793
  741    H    VAL 109           H        VAL 109   3.534  -8.304  -8.303
  742    HA   VAL 109           HA       VAL 109   1.107  -8.992  -9.846
  743    HB   VAL 109           HB       VAL 109  -0.241  -7.194  -8.831
  744   HG11  VAL 109          HG11      VAL 109   0.491  -9.280  -6.744
  745   HG12  VAL 109          HG12      VAL 109  -1.023  -8.369  -6.896
  746   HG13  VAL 109          HG13      VAL 109  -0.586  -9.553  -8.137
  747   HG21  VAL 109          HG21      VAL 109   1.494  -5.806  -7.778
  748   HG22  VAL 109          HG22      VAL 109   0.271  -6.290  -6.599
  749   HG23  VAL 109          HG23      VAL 109   1.846  -7.102  -6.609
  750    H    THR 110           H        THR 110   0.396  -7.164 -11.243
  751    HA   THR 110           HA       THR 110   2.453  -5.030 -11.588
  752    HB   THR 110           HB       THR 110   0.971  -6.024 -14.004
  753    HG1  THR 110           HG1      THR 110   2.493  -7.540 -14.420
  754   HG21  THR 110          HG21      THR 110   3.885  -5.189 -13.707
  755   HG22  THR 110          HG22      THR 110   2.888  -5.197 -15.169
  756   HG23  THR 110          HG23      THR 110   2.596  -4.000 -13.893
  757    H    ALA 111           H        ALA 111   1.680  -3.013 -11.871
  758    HA   ALA 111           HA       ALA 111  -1.286  -2.653 -11.741
  759    HB1  ALA 111           HB1      ALA 111   1.014  -0.925 -10.769
  760    HB2  ALA 111           HB2      ALA 111  -0.712  -0.529 -10.612
  761    HB3  ALA 111           HB3      ALA 111  -0.043  -1.948  -9.776
  762    HA   PRO 112           HA       PRO 112  -0.152  -1.095 -15.937
  763    HB2  PRO 112           HB2      PRO 112  -2.476  -1.715 -17.276
  764    HB3  PRO 112           HB3      PRO 112  -1.198  -2.904 -16.899
  765    HG2  PRO 112           HG2      PRO 112  -3.720  -2.327 -15.309
  766    HG3  PRO 112           HG3      PRO 112  -3.109  -3.918 -15.877
  767    HD2  PRO 112           HD2      PRO 112  -2.615  -3.075 -13.367
  768    HD3  PRO 112           HD3      PRO 112  -1.334  -3.897 -14.308
  769    H    ARG 113           H        ARG 113  -1.933   0.382 -13.636
  770    HA   ARG 113           HA       ARG 113  -3.084   2.434 -15.436
  771    HB2  ARG 113           HB2      ARG 113  -4.191   3.376 -13.681
  772    HB3  ARG 113           HB3      ARG 113  -4.284   1.670 -13.342
  773    HG2  ARG 113           HG2      ARG 113  -3.524   2.053 -11.277
  774    HG3  ARG 113           HG3      ARG 113  -1.975   2.560 -11.918
  775    HD2  ARG 113           HD2      ARG 113  -4.397   4.346 -11.364
  776    HD3  ARG 113           HD3      ARG 113  -2.920   4.241 -10.401
  777    HE   ARG 113           HE       ARG 113  -2.814   5.086 -13.271
  778   HH11  ARG 113          HH11      ARG 113  -2.214   6.181  -9.958
  779   HH12  ARG 113          HH12      ARG 113  -0.888   7.198 -10.507
  780   HH21  ARG 113          HH21      ARG 113  -1.268   6.349 -13.854
  781   HH22  ARG 113          HH22      ARG 113  -0.261   7.219 -12.743
  782    H    LEU 114           H        LEU 114  -0.028   1.757 -14.020
  783    HA   LEU 114           HA       LEU 114   0.924   4.496 -14.540
  784    HB2  LEU 114           HB2      LEU 114   1.372   5.111 -12.496
  785    HB3  LEU 114           HB3      LEU 114  -0.015   4.121 -12.094
  786    HG   LEU 114           HG       LEU 114   2.834   3.276 -11.710
  787   HD11  LEU 114          HD11      LEU 114   0.859   4.479  -9.735
  788   HD12  LEU 114          HD12      LEU 114   2.519   3.927  -9.395
  789   HD13  LEU 114          HD13      LEU 114   2.262   5.317 -10.436
  790   HD21  LEU 114          HD21      LEU 114   1.284   1.360 -11.780
  791   HD22  LEU 114          HD22      LEU 114   1.716   1.647 -10.093
  792   HD23  LEU 114          HD23      LEU 114   0.147   2.190 -10.700
  793    H    LYS 115           H        LYS 115   3.104   4.652 -15.010
  794    HA   LYS 115           HA       LYS 115   4.409   2.005 -15.486
  795    HB2  LYS 115           HB2      LYS 115   4.306   2.228 -17.868
  796    HB3  LYS 115           HB3      LYS 115   2.688   2.231 -17.212
  797    HG2  LYS 115           HG2      LYS 115   4.125   4.833 -17.918
  798    HG3  LYS 115           HG3      LYS 115   3.303   3.853 -19.131
  799    HD2  LYS 115           HD2      LYS 115   1.192   3.990 -17.783
  800    HD3  LYS 115           HD3      LYS 115   1.979   5.161 -16.713
  801    HE2  LYS 115           HE2      LYS 115   1.786   5.519 -19.736
  802    HE3  LYS 115           HE3      LYS 115   0.539   6.084 -18.621
  803    HZ1  LYS 115           HZ1      LYS 115   3.365   6.986 -18.557
  804    HZ2  LYS 115           HZ2      LYS 115   2.118   7.796 -19.191
  805    HZ3  LYS 115           HZ3      LYS 115   2.148   7.506 -17.560
  806    H    SER 116           H        SER 116   5.129   4.875 -14.397
  807    HA   SER 116           HA       SER 116   7.970   4.587 -15.298
  808    HB2  SER 116           HB2      SER 116   6.675   7.330 -15.193
  809    HB3  SER 116           HB3      SER 116   8.207   6.846 -15.936
  810    HG   SER 116           HG       SER 116   6.848   7.077 -17.621
  811    H    LEU 117           H        LEU 117   9.328   4.710 -13.479
  812    HA   LEU 117           HA       LEU 117   8.218   5.153 -10.884
  813    HB2  LEU 117           HB2      LEU 117  11.052   5.031 -11.967
  814    HB3  LEU 117           HB3      LEU 117  10.767   5.542 -10.319
  815    HG   LEU 117           HG       LEU 117  11.350   3.268 -10.330
  816   HD11  LEU 117          HD11      LEU 117   8.365   3.349  -9.715
  817   HD12  LEU 117          HD12      LEU 117   9.572   2.282  -8.997
  818   HD13  LEU 117          HD13      LEU 117   9.626   4.018  -8.651
  819   HD21  LEU 117          HD21      LEU 117  10.847   2.522 -12.450
  820   HD22  LEU 117          HD22      LEU 117  10.132   1.443 -11.248
  821   HD23  LEU 117          HD23      LEU 117   9.083   2.582 -12.139
  822    H    ASP 118           H        ASP 118   9.684   7.459 -13.108
  823    HA   ASP 118           HA       ASP 118   9.905   9.752 -11.635
  824    HB2  ASP 118           HB2      ASP 118   8.729   9.367 -14.419
  825    HB3  ASP 118           HB3      ASP 118   9.278  10.907 -13.764
  826    H    GLU 119           H        GLU 119   6.787   8.139 -12.291
  827    HA   GLU 119           HA       GLU 119   5.320  10.560 -11.458
  828    HB2  GLU 119           HB2      GLU 119   3.404   9.682 -12.248
  829    HB3  GLU 119           HB3      GLU 119   4.592   9.037 -13.362
  830    HG2  GLU 119           HG2      GLU 119   4.441   6.830 -12.075
  831    HG3  GLU 119           HG3      GLU 119   3.146   7.551 -11.133
  832    H    VAL 120           H        VAL 120   6.884   8.175  -9.720
  833    HA   VAL 120           HA       VAL 120   5.081   8.640  -7.362
  834    HB   VAL 120           HB       VAL 120   5.680   6.421  -6.476
  835   HG11  VAL 120          HG11      VAL 120   4.338   6.279  -9.196
  836   HG12  VAL 120          HG12      VAL 120   4.184   5.122  -7.860
  837   HG13  VAL 120          HG13      VAL 120   3.561   6.772  -7.674
  838   HG21  VAL 120          HG21      VAL 120   7.803   6.055  -7.796
  839   HG22  VAL 120          HG22      VAL 120   6.672   4.691  -7.827
  840   HG23  VAL 120          HG23      VAL 120   6.790   5.765  -9.230
  841    H    LYS 121           H        LYS 121   7.779   9.840  -8.398
  842    HA   LYS 121           HA       LYS 121   9.756   9.143  -6.476
  843    HB2  LYS 121           HB2      LYS 121  11.092  10.862  -7.541
  844    HB3  LYS 121           HB3      LYS 121  10.242   9.881  -8.732
  845    HG2  LYS 121           HG2      LYS 121   8.544  11.686  -9.008
  846    HG3  LYS 121           HG3      LYS 121   9.406  12.682  -7.829
  847    HD2  LYS 121           HD2      LYS 121  11.358  12.830  -9.245
  848    HD3  LYS 121           HD3      LYS 121  10.714  11.619 -10.374
  849    HE2  LYS 121           HE2      LYS 121   8.913  13.082 -11.060
  850    HE3  LYS 121           HE3      LYS 121   9.331  14.276  -9.823
  851    HZ1  LYS 121           HZ1      LYS 121  11.118  13.536 -12.086
  852    HZ2  LYS 121           HZ2      LYS 121  10.177  14.879 -12.020
  853    HZ3  LYS 121           HZ3      LYS 121  11.401  14.703 -10.957
  854    H    ASP 122           H        ASP 122   7.212  10.380  -5.303
  855    HA   ASP 122           HA       ASP 122   8.573  11.715  -3.068
  856    HB2  ASP 122           HB2      ASP 122   8.014  13.550  -4.700
  857    HB3  ASP 122           HB3      ASP 122   6.313  13.139  -4.529
  858    H    LYS 123           H        LYS 123   6.766   9.270  -3.872
  859    HA   LYS 123           HA       LYS 123   4.437   9.692  -2.059
  860    HB2  LYS 123           HB2      LYS 123   4.966   7.607  -4.226
  861    HB3  LYS 123           HB3      LYS 123   3.477   7.786  -3.308
  862    HG2  LYS 123           HG2      LYS 123   4.588   9.813  -5.304
  863    HG3  LYS 123           HG3      LYS 123   3.222   8.715  -5.545
  864    HD2  LYS 123           HD2      LYS 123   2.083   9.800  -3.586
  865    HD3  LYS 123           HD3      LYS 123   3.384  10.992  -3.531
  866    HE2  LYS 123           HE2      LYS 123   1.594  10.509  -5.942
  867    HE3  LYS 123           HE3      LYS 123   1.229  11.679  -4.660
  868    HZ1  LYS 123           HZ1      LYS 123   3.569  11.841  -6.454
  869    HZ2  LYS 123           HZ2      LYS 123   2.304  12.900  -6.356
  870    HZ3  LYS 123           HZ3      LYS 123   3.337  12.780  -5.113
  871    H    ALA 124           H        ALA 124   3.602   7.686  -0.983
  872    HA   ALA 124           HA       ALA 124   5.771   5.850  -0.014
  873    HB1  ALA 124           HB1      ALA 124   3.139   6.630   1.323
  874    HB2  ALA 124           HB2      ALA 124   4.247   5.358   1.891
  875    HB3  ALA 124           HB3      ALA 124   4.773   7.041   1.877
  876    H    LEU 125           H        LEU 125   5.465   3.686  -0.313
  877    HA   LEU 125           HA       LEU 125   2.977   2.641  -1.649
  878    HB2  LEU 125           HB2      LEU 125   5.766   1.483  -1.401
  879    HB3  LEU 125           HB3      LEU 125   4.402   0.673  -2.146
  880    HG   LEU 125           HG       LEU 125   4.984   3.401  -3.259
  881   HD11  LEU 125          HD11      LEU 125   6.853   1.069  -3.630
  882   HD12  LEU 125          HD12      LEU 125   6.878   2.546  -4.629
  883   HD13  LEU 125          HD13      LEU 125   7.270   2.632  -2.899
  884   HD21  LEU 125          HD21      LEU 125   3.292   1.744  -4.188
  885   HD22  LEU 125          HD22      LEU 125   4.473   2.393  -5.354
  886   HD23  LEU 125          HD23      LEU 125   4.679   0.762  -4.713
  887    H    MET 126           H        MET 126   1.798   1.112  -0.390
  888    HA   MET 126           HA       MET 126   2.971   0.357   2.275
  889    HB2  MET 126           HB2      MET 126   0.234   1.584   1.792
  890    HB3  MET 126           HB3      MET 126   0.735   0.771   3.288
  891    HG2  MET 126           HG2      MET 126   2.555   2.413   3.589
  892    HG3  MET 126           HG3      MET 126   2.024   3.269   2.146
  893    HE1  MET 126           HE1      MET 126   2.136   5.359   3.694
  894    HE2  MET 126           HE2      MET 126   1.105   5.636   5.116
  895    HE3  MET 126           HE3      MET 126   2.416   4.441   5.175
  896    H    ILE 127           H        ILE 127   2.690  -1.647   2.852
  897    HA   ILE 127           HA       ILE 127   0.813  -3.439   1.356
  898    HB   ILE 127           HB       ILE 127   2.895  -4.124   3.467
  899   HG12  ILE 127          HG12      ILE 127   2.823  -4.689   0.463
  900   HG13  ILE 127          HG13      ILE 127   3.823  -3.470   1.228
  901   HG21  ILE 127          HG21      ILE 127   1.001  -5.924   1.862
  902   HG22  ILE 127          HG22      ILE 127   2.312  -6.505   2.911
  903   HG23  ILE 127          HG23      ILE 127   0.954  -5.652   3.613
  904   HD11  ILE 127          HD11      ILE 127   4.099  -6.477   1.555
  905   HD12  ILE 127          HD12      ILE 127   5.223  -5.346   0.795
  906   HD13  ILE 127          HD13      ILE 127   4.973  -5.287   2.550
  907    H    HIS 128           H        HIS 128  -1.031  -4.037   2.160
  908    HA   HIS 128           HA       HIS 128  -1.926  -2.840   4.736
  909    HB2  HIS 128           HB2      HIS 128  -2.853  -2.742   1.907
  910    HB3  HIS 128           HB3      HIS 128  -4.123  -2.915   3.051
  911    HD1  HIS 128           HD1      HIS 128  -1.012  -0.789   3.755
  912    HD2  HIS 128           HD2      HIS 128  -5.005  -0.482   2.585
  913    HE1  HIS 128           HE1      HIS 128  -1.475   1.723   3.481
  914    H    VAL 129           H        VAL 129  -3.610  -3.845   5.903
  915    HA   VAL 129           HA       VAL 129  -2.929  -6.653   6.180
  916    HB   VAL 129           HB       VAL 129  -5.086  -5.106   7.642
  917   HG11  VAL 129          HG11      VAL 129  -3.733  -7.758   8.314
  918   HG12  VAL 129          HG12      VAL 129  -4.821  -6.863   9.398
  919   HG13  VAL 129          HG13      VAL 129  -5.442  -7.527   7.884
  920   HG21  VAL 129          HG21      VAL 129  -2.836  -4.104   7.989
  921   HG22  VAL 129          HG22      VAL 129  -3.398  -4.898   9.459
  922   HG23  VAL 129          HG23      VAL 129  -2.189  -5.696   8.428
  923    H    GLY 130           H        GLY 130  -6.014  -4.980   5.359
  924    HA2  GLY 130           HA2      GLY 130  -7.107  -7.485   4.151
  925    HA3  GLY 130           HA3      GLY 130  -8.011  -5.996   4.484
  926    H    GLY 131           H        GLY 131  -8.253  -7.118   2.101
  927    HA2  GLY 131           HA2      GLY 131  -6.502  -6.434  -0.007
  928    HA3  GLY 131           HA3      GLY 131  -8.158  -6.990  -0.117
  929    H    ASP 132           H        ASP 132  -8.022  -5.717  -1.978
  930    HA   ASP 132           HA       ASP 132  -9.052  -2.965  -1.615
  931    HB2  ASP 132           HB2      ASP 132  -6.679  -2.805  -2.110
  932    HB3  ASP 132           HB3      ASP 132  -6.808  -3.880  -3.470
  933    H    ASN 133           H        ASN 133 -11.005  -4.066  -1.742
  934    HA   ASN 133           HA       ASN 133 -11.977  -4.873  -4.411
  935    HB2  ASN 133           HB2      ASN 133 -12.554  -7.095  -3.701
  936    HB3  ASN 133           HB3      ASN 133 -10.831  -6.856  -3.470
  937   HD21  ASN 133          HD21      ASN 133 -12.391  -8.905  -2.175
  938   HD22  ASN 133          HD22      ASN 133 -12.355  -8.559  -0.457
  939    H    MET 134           H        MET 134 -12.762  -3.377  -1.417
  940    HA   MET 134           HA       MET 134 -15.647  -3.488  -2.063
  941    HB2  MET 134           HB2      MET 134 -16.282  -4.216   0.157
  942    HB3  MET 134           HB3      MET 134 -15.276  -5.420  -0.637
  943    HG2  MET 134           HG2      MET 134 -13.309  -4.642   0.701
  944    HG3  MET 134           HG3      MET 134 -14.338  -3.443   1.480
  945    HE1  MET 134           HE1      MET 134 -13.106  -7.069   1.365
  946    HE2  MET 134           HE2      MET 134 -14.363  -7.991   2.213
  947    HE3  MET 134           HE3      MET 134 -14.693  -7.322   0.603
  948    H    SER 135           H        SER 135 -16.807  -1.743  -1.555
  949    HA   SER 135           HA       SER 135 -15.900   0.270   0.399
  950    HB2  SER 135           HB2      SER 135 -15.913   2.064  -1.343
  951    HB3  SER 135           HB3      SER 135 -14.590   0.901  -1.454
  952    HG   SER 135           HG       SER 135 -15.276   1.067  -3.475
  953    H    ASP 136           H        ASP 136 -18.385  -1.510  -0.356
  954    HA   ASP 136           HA       ASP 136 -20.553   0.434  -0.601
  955    HB2  ASP 136           HB2      ASP 136 -20.581  -1.690  -1.783
  956    HB3  ASP 136           HB3      ASP 136 -20.371  -2.591  -0.278
  957    H    GLN 137           H        GLN 137 -19.289  -1.710   1.965
  958    HA   GLN 137           HA       GLN 137 -21.444  -1.132   3.794
  959    HB2  GLN 137           HB2      GLN 137 -20.331  -2.539   5.350
  960    HB3  GLN 137           HB3      GLN 137 -20.183  -3.275   3.763
  961    HG2  GLN 137           HG2      GLN 137 -18.019  -1.786   5.309
  962    HG3  GLN 137           HG3      GLN 137 -18.109  -3.513   5.033
  963   HE21  GLN 137          HE21      GLN 137 -17.190  -0.451   3.605
  964   HE22  GLN 137          HE22      GLN 137 -16.483  -1.193   2.149
  965    HA   PRO 138           HA       PRO 138 -20.296   2.724   5.165
  966    HB2  PRO 138           HB2      PRO 138 -21.340   2.953   7.713
  967    HB3  PRO 138           HB3      PRO 138 -22.310   2.874   6.210
  968    HG2  PRO 138           HG2      PRO 138 -21.606   0.598   8.090
  969    HG3  PRO 138           HG3      PRO 138 -23.215   1.025   7.419
  970    HD2  PRO 138           HD2      PRO 138 -21.716  -0.911   6.282
  971    HD3  PRO 138           HD3      PRO 138 -22.620   0.246   5.259
  972    H    LYS 139           H        LYS 139 -19.075   0.259   7.522
  973    HA   LYS 139           HA       LYS 139 -16.997   2.149   8.395
  974    HB2  LYS 139           HB2      LYS 139 -17.349  -0.818   8.901
  975    HB3  LYS 139           HB3      LYS 139 -15.897   0.090   9.357
  976    HG2  LYS 139           HG2      LYS 139 -17.379   1.723  10.616
  977    HG3  LYS 139           HG3      LYS 139 -18.745   0.658  10.285
  978    HD2  LYS 139           HD2      LYS 139 -17.984   0.283  12.525
  979    HD3  LYS 139           HD3      LYS 139 -17.610  -1.160  11.577
  980    HE2  LYS 139           HE2      LYS 139 -15.255  -0.509  11.425
  981    HE3  LYS 139           HE3      LYS 139 -15.593   1.066  12.169
  982    HZ1  LYS 139           HZ1      LYS 139 -16.070  -1.491  13.589
  983    HZ2  LYS 139           HZ2      LYS 139 -14.660  -0.654  13.714
  984    HZ3  LYS 139           HZ3      LYS 139 -16.047   0.025  14.226
  985    HA   PRO 140           HA       PRO 140 -15.551   1.924   4.364
  986    HB2  PRO 140           HB2      PRO 140 -13.219   3.408   4.439
  987    HB3  PRO 140           HB3      PRO 140 -14.865   4.089   4.605
  988    HG2  PRO 140           HG2      PRO 140 -12.941   3.302   6.819
  989    HG3  PRO 140           HG3      PRO 140 -13.847   4.841   6.634
  990    HD2  PRO 140           HD2      PRO 140 -14.782   2.876   8.231
  991    HD3  PRO 140           HD3      PRO 140 -15.905   3.798   7.184
  992    H    LEU 141           H        LEU 141 -14.306   0.848   2.927
  993    HA   LEU 141           HA       LEU 141 -13.110  -0.888   2.079
  994    HB2  LEU 141           HB2      LEU 141 -11.039   0.047   4.118
  995    HB3  LEU 141           HB3      LEU 141 -10.755  -1.143   2.862
  996    HG   LEU 141           HG       LEU 141 -11.401   0.591   1.134
  997   HD11  LEU 141          HD11      LEU 141 -11.129   2.437   3.547
  998   HD12  LEU 141          HD12      LEU 141 -10.904   2.996   1.882
  999   HD13  LEU 141          HD13      LEU 141 -12.469   2.359   2.373
 1000   HD21  LEU 141          HD21      LEU 141  -9.081  -0.137   1.586
 1001   HD22  LEU 141          HD22      LEU 141  -9.160   1.576   1.155
 1002   HD23  LEU 141          HD23      LEU 141  -8.937   1.103   2.854
 1003    H    GLY 142           H        GLY 142 -14.914  -1.423   4.477
 1004    HA2  GLY 142           HA2      GLY 142 -15.584  -3.269   5.689
 1005    HA3  GLY 142           HA3      GLY 142 -14.421  -4.239   4.754
 1006    H    GLY 143           H        GLY 143 -12.998  -1.587   6.387
 1007    HA2  GLY 143           HA2      GLY 143 -11.777  -1.472   8.421
 1008    HA3  GLY 143           HA3      GLY 143 -12.018  -3.220   8.681
 1009    H    GLY 144           H        GLY 144 -11.125  -3.157   5.528
 1010    HA2  GLY 144           HA2      GLY 144  -8.609  -4.341   6.154
 1011    HA3  GLY 144           HA3      GLY 144  -9.281  -4.046   4.529
 1012    H    GLY 145           H        GLY 145  -9.186  -1.036   5.676
 1013    HA2  GLY 145           HA2      GLY 145  -6.863  -0.292   4.141
 1014    HA3  GLY 145           HA3      GLY 145  -7.886   0.798   5.108
 1015    H    THR 146           H        THR 146  -6.727  -1.622   7.133
 1016    HA   THR 146           HA       THR 146  -4.773   0.053   8.479
 1017    HB   THR 146           HB       THR 146  -4.476  -2.131   9.832
 1018    HG1  THR 146           HG1      THR 146  -6.476  -3.434   9.449
 1019   HG21  THR 146          HG21      THR 146  -7.283  -0.931   9.638
 1020   HG22  THR 146          HG22      THR 146  -6.600  -1.817  11.018
 1021   HG23  THR 146          HG23      THR 146  -5.933  -0.241  10.568
 1022    H    ARG 147           H        ARG 147  -2.584  -0.548   8.846
 1023    HA   ARG 147           HA       ARG 147  -1.275  -1.398   6.303
 1024    HB2  ARG 147           HB2      ARG 147  -0.263   0.254   8.657
 1025    HB3  ARG 147           HB3      ARG 147   0.663  -0.156   7.220
 1026    HG2  ARG 147           HG2      ARG 147  -0.011   2.117   7.115
 1027    HG3  ARG 147           HG3      ARG 147  -0.813   1.229   5.825
 1028    HD2  ARG 147           HD2      ARG 147  -2.935   1.440   6.829
 1029    HD3  ARG 147           HD3      ARG 147  -2.248   1.683   8.444
 1030    HE   ARG 147           HE       ARG 147  -1.512   3.885   7.813
 1031   HH11  ARG 147          HH11      ARG 147  -4.306   2.605   5.960
 1032   HH12  ARG 147          HH12      ARG 147  -4.744   4.239   5.478
 1033   HH21  ARG 147          HH21      ARG 147  -2.312   5.946   7.126
 1034   HH22  ARG 147          HH22      ARG 147  -3.733   5.957   6.119
 1035    H    TYR 148           H        TYR 148   0.443  -2.899   6.344
 1036    HA   TYR 148           HA       TYR 148   1.306  -3.868   9.059
 1037    HB2  TYR 148           HB2      TYR 148   0.306  -5.676   7.608
 1038    HB3  TYR 148           HB3      TYR 148   1.669  -5.534   6.504
 1039    HD1  TYR 148           HD1      TYR 148   0.743  -6.273  10.051
 1040    HD2  TYR 148           HD2      TYR 148   3.784  -6.475   7.001
 1041    HE1  TYR 148           HE1      TYR 148   2.098  -7.779  11.502
 1042    HE2  TYR 148           HE2      TYR 148   5.128  -7.976   8.435
 1043    HH   TYR 148           HH       TYR 148   5.213  -9.168  10.382
 1044    H    ALA 149           H        ALA 149   2.375  -2.605   5.886
 1045    HA   ALA 149           HA       ALA 149   4.863  -1.721   7.170
 1046    HB1  ALA 149           HB1      ALA 149   4.895  -3.648   4.803
 1047    HB2  ALA 149           HB2      ALA 149   6.309  -2.836   5.499
 1048    HB3  ALA 149           HB3      ALA 149   5.416  -4.020   6.463
 1049    H    CYS 150           H        CYS 150   5.917  -0.100   6.230
 1050    HA   CYS 150           HA       CYS 150   4.669   1.423   3.983
 1051    HB2  CYS 150           HB2      CYS 150   4.689   2.718   5.992
 1052    HB3  CYS 150           HB3      CYS 150   6.275   2.113   6.454
 1053    H    GLY 151           H        GLY 151   5.891   1.857   2.255
 1054    HA2  GLY 151           HA2      GLY 151   8.848   1.399   2.141
 1055    HA3  GLY 151           HA3      GLY 151   7.742   0.857   0.877
 1056    H    VAL 152           H        VAL 152   8.872   3.812   2.466
 1057    HA   VAL 152           HA       VAL 152   7.971   5.596   0.350
 1058    HB   VAL 152           HB       VAL 152  10.273   5.917   2.318
 1059   HG11  VAL 152          HG11      VAL 152   9.014   7.976   0.445
 1060   HG12  VAL 152          HG12      VAL 152  10.130   8.355   1.775
 1061   HG13  VAL 152          HG13      VAL 152  10.696   7.395   0.411
 1062   HG21  VAL 152          HG21      VAL 152   8.088   5.827   3.431
 1063   HG22  VAL 152          HG22      VAL 152   8.700   7.481   3.468
 1064   HG23  VAL 152          HG23      VAL 152   7.428   7.036   2.308
 1065    H    ILE 153           H        ILE 153   8.902   6.101  -1.583
 1066    HA   ILE 153           HA       ILE 153  10.581   4.188  -2.877
 1067    HB   ILE 153           HB       ILE 153   9.684   6.993  -3.665
 1068   HG12  ILE 153          HG12      ILE 153   8.457   5.561  -5.469
 1069   HG13  ILE 153          HG13      ILE 153   8.794   4.177  -4.445
 1070   HG21  ILE 153          HG21      ILE 153  11.238   4.994  -5.351
 1071   HG22  ILE 153          HG22      ILE 153  10.448   6.457  -5.974
 1072   HG23  ILE 153          HG23      ILE 153  11.786   6.610  -4.850
 1073   HD11  ILE 153          HD11      ILE 153   7.212   6.654  -3.627
 1074   HD12  ILE 153          HD12      ILE 153   6.484   5.161  -4.210
 1075   HD13  ILE 153          HD13      ILE 153   7.362   5.156  -2.672
 1076    H    LYS 154           H        LYS 154  12.747   4.057  -3.371
 1077    HA   LYS 154           HA       LYS 154  14.580   6.010  -2.015
 1078    HB2  LYS 154           HB2      LYS 154  14.864   3.007  -2.417
 1079    HB3  LYS 154           HB3      LYS 154  16.082   4.040  -1.695
 1080    HG2  LYS 154           HG2      LYS 154  13.333   3.493  -0.490
 1081    HG3  LYS 154           HG3      LYS 154  14.825   2.675  -0.083
 1082    HD2  LYS 154           HD2      LYS 154  14.634   4.168   1.646
 1083    HD3  LYS 154           HD3      LYS 154  15.770   4.993   0.575
 1084    HE2  LYS 154           HE2      LYS 154  13.902   6.415  -0.273
 1085    HE3  LYS 154           HE3      LYS 154  12.760   5.523   0.722
 1086    HZ1  LYS 154           HZ1      LYS 154  15.016   7.173   1.767
 1087    HZ2  LYS 154           HZ2      LYS 154  13.443   7.606   1.752
 1088    HZ3  LYS 154           HZ3      LYS 154  13.941   6.365   2.698
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1  12.622  -0.035 -16.145
    2    H2   ALA   1           H2       ALA   1  13.568   1.185 -16.723
    3    H3   ALA   1           H3       ALA   1  12.106   1.533 -16.041
    4    HA   ALA   1           HA       ALA   1  14.502   0.501 -14.737
    5    HB1  ALA   1           HB1      ALA   1  12.961   3.040 -14.098
    6    HB2  ALA   1           HB2      ALA   1  14.542   2.553 -13.469
    7    HB3  ALA   1           HB3      ALA   1  14.379   3.001 -15.171
    8    H    SER   2           H        SER   2  13.880   1.148 -12.097
    9    HA   SER   2           HA       SER   2  11.843  -0.656 -11.195
   10    HB2  SER   2           HB2      SER   2  14.666  -1.742 -11.170
   11    HB3  SER   2           HB3      SER   2  13.194  -2.617 -10.826
   12    HG   SER   2           HG       SER   2  12.797  -2.536 -13.203
   13    H    GLU   3           H        GLU   3  12.045  -0.953  -8.888
   14    HA   GLU   3           HA       GLU   3  14.288   0.247  -7.503
   15    HB2  GLU   3           HB2      GLU   3  13.137   2.282  -8.054
   16    HB3  GLU   3           HB3      GLU   3  11.620   1.650  -7.344
   17    HG2  GLU   3           HG2      GLU   3  12.564   3.238  -5.861
   18    HG3  GLU   3           HG3      GLU   3  12.773   1.630  -5.151
   19    H    LYS   4           H        LYS   4  14.670  -0.858  -5.840
   20    HA   LYS   4           HA       LYS   4  12.832  -2.794  -4.730
   21    HB2  LYS   4           HB2      LYS   4  15.185  -3.225  -5.434
   22    HB3  LYS   4           HB3      LYS   4  15.763  -1.953  -4.358
   23    HG2  LYS   4           HG2      LYS   4  14.913  -3.279  -2.408
   24    HG3  LYS   4           HG3      LYS   4  14.569  -4.608  -3.524
   25    HD2  LYS   4           HD2      LYS   4  17.296  -3.354  -3.000
   26    HD3  LYS   4           HD3      LYS   4  16.721  -4.888  -2.323
   27    HE2  LYS   4           HE2      LYS   4  16.518  -5.836  -4.602
   28    HE3  LYS   4           HE3      LYS   4  17.064  -4.303  -5.297
   29    HZ1  LYS   4           HZ1      LYS   4  18.681  -6.041  -3.519
   30    HZ2  LYS   4           HZ2      LYS   4  18.873  -5.845  -5.149
   31    HZ3  LYS   4           HZ3      LYS   4  19.183  -4.605  -4.128
   32    H    VAL   5           H        VAL   5  11.197  -1.643  -3.533
   33    HA   VAL   5           HA       VAL   5  12.181   0.494  -1.748
   34    HB   VAL   5           HB       VAL   5   9.374  -0.439  -2.335
   35   HG11  VAL   5          HG11      VAL   5  10.467   1.903  -0.709
   36   HG12  VAL   5          HG12      VAL   5   8.795   1.843  -1.302
   37   HG13  VAL   5          HG13      VAL   5   9.371   0.628  -0.150
   38   HG21  VAL   5          HG21      VAL   5  10.461   0.530  -4.303
   39   HG22  VAL   5          HG22      VAL   5   9.290   1.701  -3.649
   40   HG23  VAL   5          HG23      VAL   5  11.023   1.923  -3.349
   41    H    GLY   6           H        GLY   6  12.872   0.096   0.154
   42    HA2  GLY   6           HA2      GLY   6  12.388  -2.291   1.735
   43    HA3  GLY   6           HA3      GLY   6  13.225  -0.801   2.254
   44    H    MET   7           H        MET   7  10.411  -2.639   2.412
   45    HA   MET   7           HA       MET   7   8.748  -0.464   3.532
   46    HB2  MET   7           HB2      MET   7   8.065  -3.406   3.138
   47    HB3  MET   7           HB3      MET   7   6.958  -2.088   3.597
   48    HG2  MET   7           HG2      MET   7   7.715  -0.923   1.421
   49    HG3  MET   7           HG3      MET   7   8.428  -2.460   0.965
   50    HE1  MET   7           HE1      MET   7   5.387  -0.339   1.586
   51    HE2  MET   7           HE2      MET   7   3.982  -1.354   1.220
   52    HE3  MET   7           HE3      MET   7   4.878  -1.585   2.740
   53    H    ASN   8           H        ASN   8   8.108  -0.223   5.629
   54    HA   ASN   8           HA       ASN   8   9.211  -2.063   7.714
   55    HB2  ASN   8           HB2      ASN   8   9.056   0.958   7.704
   56    HB3  ASN   8           HB3      ASN   8   9.157   0.026   9.202
   57   HD21  ASN   8          HD21      ASN   8  11.191   0.265   9.977
   58   HD22  ASN   8          HD22      ASN   8  12.620  -0.025   8.988
   59    H    LEU   9           H        LEU   9   8.091  -2.388   9.539
   60    HA   LEU   9           HA       LEU   9   5.207  -2.552   9.450
   61    HB2  LEU   9           HB2      LEU   9   7.189  -3.088  11.701
   62    HB3  LEU   9           HB3      LEU   9   5.526  -3.656  11.609
   63    HG   LEU   9           HG       LEU   9   7.843  -4.524   9.817
   64   HD11  LEU   9          HD11      LEU   9   6.306  -5.989  12.000
   65   HD12  LEU   9          HD12      LEU   9   7.575  -6.686  10.976
   66   HD13  LEU   9          HD13      LEU   9   7.977  -5.392  12.094
   67   HD21  LEU   9          HD21      LEU   9   5.811  -4.591   8.491
   68   HD22  LEU   9          HD22      LEU   9   6.242  -6.235   8.966
   69   HD23  LEU   9          HD23      LEU   9   4.930  -5.387   9.817
   70    H    VAL  10           H        VAL  10   5.014  -0.082   9.148
   71    HA   VAL  10           HA       VAL  10   5.383   1.573  11.452
   72    HB   VAL  10           HB       VAL  10   4.283   3.305  10.395
   73   HG11  VAL  10          HG11      VAL  10   5.228   1.681   8.001
   74   HG12  VAL  10          HG12      VAL  10   5.342   3.422   8.273
   75   HG13  VAL  10          HG13      VAL  10   6.361   2.318   9.204
   76   HG21  VAL  10          HG21      VAL  10   2.100   2.449   9.811
   77   HG22  VAL  10          HG22      VAL  10   2.834   3.053   8.337
   78   HG23  VAL  10          HG23      VAL  10   2.805   1.305   8.635
   79    H    THR  11           H        THR  11   4.281   1.725  13.336
   80    HA   THR  11           HA       THR  11   1.502   0.761  13.592
   81    HB   THR  11           HB       THR  11   2.627  -1.315  13.327
   82    HG1  THR  11           HG1      THR  11   1.955  -0.891  16.019
   83   HG21  THR  11          HG21      THR  11   4.132  -0.920  15.945
   84   HG22  THR  11          HG22      THR  11   4.240  -2.242  14.776
   85   HG23  THR  11          HG23      THR  11   4.894  -0.646  14.370
   86    H    ALA  12           H        ALA  12   1.489   2.991  14.279
   87    HA   ALA  12           HA       ALA  12   0.599   4.314  15.889
   88    HB1  ALA  12           HB1      ALA  12   0.902   1.857  17.673
   89    HB2  ALA  12           HB2      ALA  12  -0.015   3.299  18.073
   90    HB3  ALA  12           HB3      ALA  12  -0.507   2.313  16.686
   91    H    GLN  13           H        GLN  13   3.478   2.677  17.209
   92    HA   GLN  13           HA       GLN  13   4.371   5.037  18.718
   93    HB2  GLN  13           HB2      GLN  13   5.526   2.321  17.934
   94    HB3  GLN  13           HB3      GLN  13   6.526   3.598  18.636
   95    HG2  GLN  13           HG2      GLN  13   5.886   1.922  20.276
   96    HG3  GLN  13           HG3      GLN  13   5.494   3.601  20.696
   97   HE21  GLN  13          HE21      GLN  13   3.238   4.323  20.531
   98   HE22  GLN  13          HE22      GLN  13   1.979   3.104  20.309
   99    H    GLY  14           H        GLY  14   4.222   4.382  15.440
  100    HA2  GLY  14           HA2      GLY  14   4.971   6.224  13.902
  101    HA3  GLY  14           HA3      GLY  14   6.563   6.082  14.686
  102    H    VAL  15           H        VAL  15   7.054   5.771  12.342
  103    HA   VAL  15           HA       VAL  15   6.929   3.219  11.069
  104    HB   VAL  15           HB       VAL  15   9.171   5.269  11.226
  105   HG11  VAL  15          HG11      VAL  15   9.092   2.733   9.519
  106   HG12  VAL  15          HG12      VAL  15  10.204   4.091   9.254
  107   HG13  VAL  15          HG13      VAL  15  10.313   3.153  10.741
  108   HG21  VAL  15          HG21      VAL  15   7.068   5.866   9.948
  109   HG22  VAL  15          HG22      VAL  15   8.542   5.839   8.966
  110   HG23  VAL  15          HG23      VAL  15   7.401   4.492   8.876
  111    H    GLY  16           H        GLY  16   7.657   1.227  11.601
  112    HA2  GLY  16           HA2      GLY  16   9.203   0.824  14.095
  113    HA3  GLY  16           HA3      GLY  16   8.218  -0.345  13.164
  114    H    GLN  17           H        GLN  17   9.487  -1.906  12.979
  115    HA   GLN  17           HA       GLN  17  12.214  -1.640  11.808
  116    HB2  GLN  17           HB2      GLN  17  12.469  -4.020  12.317
  117    HB3  GLN  17           HB3      GLN  17  12.056  -3.118  13.772
  118    HG2  GLN  17           HG2      GLN  17   9.926  -4.059  13.940
  119    HG3  GLN  17           HG3      GLN  17   9.810  -4.349  12.193
  120   HE21  GLN  17          HE21      GLN  17  11.404  -6.109  11.265
  121   HE22  GLN  17          HE22      GLN  17  11.487  -7.511  12.322
  122    H    SER  18           H        SER  18  12.731  -3.261  10.091
  123    HA   SER  18           HA       SER  18  10.556  -3.636   8.114
  124    HB2  SER  18           HB2      SER  18  12.432  -2.180   7.390
  125    HB3  SER  18           HB3      SER  18  13.568  -3.490   7.695
  126    HG   SER  18           HG       SER  18  11.533  -3.242   5.713
  127    H    ILE  19           H        ILE  19  11.136  -5.420   6.572
  128    HA   ILE  19           HA       ILE  19  11.531  -8.057   7.918
  129    HB   ILE  19           HB       ILE  19   9.195  -8.676   7.108
  130   HG12  ILE  19          HG12      ILE  19   8.413  -5.766   7.207
  131   HG13  ILE  19          HG13      ILE  19   9.183  -6.337   5.722
  132   HG21  ILE  19          HG21      ILE  19   9.249  -6.541   9.272
  133   HG22  ILE  19          HG22      ILE  19   8.083  -7.863   9.075
  134   HG23  ILE  19          HG23      ILE  19   9.764  -8.220   9.497
  135   HD11  ILE  19          HD11      ILE  19   6.675  -7.514   6.949
  136   HD12  ILE  19          HD12      ILE  19   6.785  -6.487   5.505
  137   HD13  ILE  19          HD13      ILE  19   7.513  -8.107   5.490
  138    H    GLY  20           H        GLY  20  12.160  -6.223   5.287
  139    HA2  GLY  20           HA2      GLY  20  13.124  -7.677   3.332
  140    HA3  GLY  20           HA3      GLY  20  11.431  -8.161   3.172
  141    H    THR  21           H        THR  21  12.146  -7.162   0.970
  142    HA   THR  21           HA       THR  21  11.030  -4.405   0.923
  143    HB   THR  21           HB       THR  21  12.631  -3.485  -0.244
  144    HG1  THR  21           HG1      THR  21  13.143  -5.801  -1.767
  145   HG21  THR  21          HG21      THR  21  14.359  -5.908   0.300
  146   HG22  THR  21          HG22      THR  21  14.899  -4.295  -0.203
  147   HG23  THR  21          HG23      THR  21  14.129  -4.506   1.374
  148    H    VAL  22           H        VAL  22  10.087  -3.900  -1.179
  149    HA   VAL  22           HA       VAL  22   9.285  -6.310  -2.746
  150    HB   VAL  22           HB       VAL  22   7.666  -3.720  -2.640
  151   HG11  VAL  22          HG11      VAL  22   7.437  -6.369  -4.118
  152   HG12  VAL  22          HG12      VAL  22   6.085  -5.311  -3.977
  153   HG13  VAL  22          HG13      VAL  22   7.527  -4.745  -4.832
  154   HG21  VAL  22          HG21      VAL  22   7.316  -5.080  -0.557
  155   HG22  VAL  22          HG22      VAL  22   5.880  -5.021  -1.579
  156   HG23  VAL  22          HG23      VAL  22   6.888  -6.471  -1.588
  157    H    VAL  23           H        VAL  23  10.129  -6.291  -4.771
  158    HA   VAL  23           HA       VAL  23  11.433  -3.777  -5.669
  159    HB   VAL  23           HB       VAL  23  12.221  -4.835  -7.576
  160   HG11  VAL  23          HG11      VAL  23  12.982  -6.460  -5.109
  161   HG12  VAL  23          HG12      VAL  23  13.984  -6.247  -6.563
  162   HG13  VAL  23          HG13      VAL  23  13.611  -4.858  -5.543
  163   HG21  VAL  23          HG21      VAL  23  10.720  -6.473  -8.162
  164   HG22  VAL  23          HG22      VAL  23  12.328  -7.175  -8.031
  165   HG23  VAL  23          HG23      VAL  23  11.163  -7.483  -6.730
  166    H    ILE  24           H        ILE  24  10.630  -2.477  -6.999
  167    HA   ILE  24           HA       ILE  24   8.093  -3.155  -8.483
  168    HB   ILE  24           HB       ILE  24   9.377  -0.435  -8.174
  169   HG12  ILE  24          HG12      ILE  24   6.973  -1.248  -6.485
  170   HG13  ILE  24          HG13      ILE  24   8.473  -1.362  -5.799
  171   HG21  ILE  24          HG21      ILE  24   6.584  -1.368  -9.004
  172   HG22  ILE  24          HG22      ILE  24   7.080   0.334  -8.882
  173   HG23  ILE  24          HG23      ILE  24   7.833  -0.701 -10.077
  174   HD11  ILE  24          HD11      ILE  24   7.099   1.108  -6.803
  175   HD12  ILE  24          HD12      ILE  24   7.823   0.775  -5.228
  176   HD13  ILE  24          HD13      ILE  24   8.880   1.124  -6.635
  177    H    ASP  25           H        ASP  25   8.223  -3.326 -10.706
  178    HA   ASP  25           HA       ASP  25  10.535  -2.101 -12.130
  179    HB2  ASP  25           HB2      ASP  25  11.060  -4.449 -11.866
  180    HB3  ASP  25           HB3      ASP  25   9.462  -4.925 -12.502
  181    H    GLU  26           H        GLU  26   9.896  -0.875 -13.832
  182    HA   GLU  26           HA       GLU  26   6.965  -0.624 -14.191
  183    HB2  GLU  26           HB2      GLU  26   7.341   1.556 -14.897
  184    HB3  GLU  26           HB3      GLU  26   8.531   1.282 -13.607
  185    HG2  GLU  26           HG2      GLU  26  10.099   0.645 -15.667
  186    HG3  GLU  26           HG3      GLU  26   8.935   1.574 -16.597
  187    H    THR  27           H        THR  27   5.825  -0.956 -16.126
  188    HA   THR  27           HA       THR  27   7.264  -1.567 -18.617
  189    HB   THR  27           HB       THR  27   7.525  -3.646 -17.396
  190    HG1  THR  27           HG1      THR  27   6.497  -4.986 -18.930
  191   HG21  THR  27          HG21      THR  27   4.492  -3.668 -17.163
  192   HG22  THR  27          HG22      THR  27   5.505  -5.127 -17.013
  193   HG23  THR  27          HG23      THR  27   5.712  -3.806 -15.872
  194    H    GLU  28           H        GLU  28   5.518  -2.475 -20.203
  195    HA   GLU  28           HA       GLU  28   3.690  -0.369 -20.728
  196    HB2  GLU  28           HB2      GLU  28   4.783  -1.774 -22.391
  197    HB3  GLU  28           HB3      GLU  28   3.866  -3.203 -21.838
  198    HG2  GLU  28           HG2      GLU  28   1.812  -2.299 -22.700
  199    HG3  GLU  28           HG3      GLU  28   2.500  -0.680 -22.857
  200    H    GLY  29           H        GLY  29   3.196  -3.296 -18.880
  201    HA2  GLY  29           HA2      GLY  29   0.311  -2.710 -18.475
  202    HA3  GLY  29           HA3      GLY  29   1.189  -4.147 -17.863
  203    H    GLY  30           H        GLY  30   2.720  -1.151 -17.532
  204    HA2  GLY  30           HA2      GLY  30   3.169   0.353 -15.925
  205    HA3  GLY  30           HA3      GLY  30   1.751  -0.105 -15.006
  206    H    LEU  31           H        LEU  31   2.552  -0.169 -13.038
  207    HA   LEU  31           HA       LEU  31   5.242  -1.085 -12.441
  208    HB2  LEU  31           HB2      LEU  31   2.927  -0.498 -10.558
  209    HB3  LEU  31           HB3      LEU  31   4.627  -0.694 -10.094
  210    HG   LEU  31           HG       LEU  31   3.418   1.562 -11.738
  211   HD11  LEU  31          HD11      LEU  31   4.716   1.537  -8.987
  212   HD12  LEU  31          HD12      LEU  31   4.068   2.961  -9.829
  213   HD13  LEU  31          HD13      LEU  31   2.973   1.661  -9.328
  214   HD21  LEU  31          HD21      LEU  31   5.663   1.183 -12.639
  215   HD22  LEU  31          HD22      LEU  31   5.646   2.652 -11.655
  216   HD23  LEU  31          HD23      LEU  31   6.345   1.165 -10.996
  217    H    LYS  32           H        LYS  32   5.802  -3.137 -12.697
  218    HA   LYS  32           HA       LYS  32   4.180  -5.379 -11.727
  219    HB2  LYS  32           HB2      LYS  32   5.793  -5.393 -13.767
  220    HB3  LYS  32           HB3      LYS  32   7.095  -5.498 -12.576
  221    HG2  LYS  32           HG2      LYS  32   5.791  -7.518 -11.582
  222    HG3  LYS  32           HG3      LYS  32   4.750  -7.381 -13.004
  223    HD2  LYS  32           HD2      LYS  32   6.227  -9.058 -13.582
  224    HD3  LYS  32           HD3      LYS  32   6.882  -7.639 -14.418
  225    HE2  LYS  32           HE2      LYS  32   8.557  -7.359 -12.586
  226    HE3  LYS  32           HE3      LYS  32   7.842  -8.754 -11.736
  227    HZ1  LYS  32           HZ1      LYS  32   9.707  -9.579 -12.933
  228    HZ2  LYS  32           HZ2      LYS  32   8.419 -10.055 -13.821
  229    HZ3  LYS  32           HZ3      LYS  32   9.296  -8.763 -14.312
  230    H    PHE  33           H        PHE  33   3.972  -5.577  -9.634
  231    HA   PHE  33           HA       PHE  33   6.028  -4.705  -7.716
  232    HB2  PHE  33           HB2      PHE  33   3.419  -4.212  -7.774
  233    HB3  PHE  33           HB3      PHE  33   3.274  -5.843  -7.101
  234    HD1  PHE  33           HD1      PHE  33   5.477  -2.860  -6.627
  235    HD2  PHE  33           HD2      PHE  33   2.856  -5.717  -4.778
  236    HE1  PHE  33           HE1      PHE  33   5.917  -1.811  -4.414
  237    HE2  PHE  33           HE2      PHE  33   3.249  -4.628  -2.567
  238    HZ   PHE  33           HZ       PHE  33   4.819  -2.740  -2.364
  239    H    THR  34           H        THR  34   7.541  -6.176  -7.057
  240    HA   THR  34           HA       THR  34   6.735  -9.088  -7.002
  241    HB   THR  34           HB       THR  34   9.399  -8.034  -7.902
  242    HG1  THR  34           HG1      THR  34   7.868  -7.542  -9.375
  243   HG21  THR  34          HG21      THR  34   8.159 -10.818  -7.884
  244   HG22  THR  34          HG22      THR  34   9.658 -10.374  -8.735
  245   HG23  THR  34          HG23      THR  34   9.583 -10.279  -6.969
  246    HA   PRO  35           HA       PRO  35   8.185  -8.092  -2.828
  247    HB2  PRO  35           HB2      PRO  35   6.833  -9.991  -1.441
  248    HB3  PRO  35           HB3      PRO  35   5.995  -8.609  -2.212
  249    HG2  PRO  35           HG2      PRO  35   6.339 -11.427  -3.270
  250    HG3  PRO  35           HG3      PRO  35   4.832 -10.458  -3.180
  251    HD2  PRO  35           HD2      PRO  35   6.365 -10.638  -5.442
  252    HD3  PRO  35           HD3      PRO  35   5.460  -9.149  -5.016
  253    H    HIS  36           H        HIS  36   9.757  -8.866  -1.340
  254    HA   HIS  36           HA       HIS  36  10.381 -11.745  -1.392
  255    HB2  HIS  36           HB2      HIS  36  12.733 -11.521  -1.683
  256    HB3  HIS  36           HB3      HIS  36  11.894 -10.811  -3.069
  257    HD1  HIS  36           HD1      HIS  36  14.747 -10.094  -0.954
  258    HD2  HIS  36           HD2      HIS  36  11.756  -7.894  -2.911
  259    HE1  HIS  36           HE1      HIS  36  15.674  -7.736  -1.178
  260    H    LEU  37           H        LEU  37   8.922 -10.785   0.540
  261    HA   LEU  37           HA       LEU  37  10.677 -10.067   2.852
  262    HB2  LEU  37           HB2      LEU  37   7.660  -9.768   2.802
  263    HB3  LEU  37           HB3      LEU  37   8.852  -9.052   3.902
  264    HG   LEU  37           HG       LEU  37   9.712  -7.978   1.563
  265   HD11  LEU  37          HD11      LEU  37   6.676  -8.181   1.254
  266   HD12  LEU  37          HD12      LEU  37   7.801  -7.278   0.220
  267   HD13  LEU  37          HD13      LEU  37   7.867  -9.038   0.256
  268   HD21  LEU  37          HD21      LEU  37   9.194  -6.693   3.567
  269   HD22  LEU  37          HD22      LEU  37   8.519  -5.916   2.133
  270   HD23  LEU  37          HD23      LEU  37   7.449  -6.823   3.225
  271    H    LYS  38           H        LYS  38  10.341 -11.030   4.921
  272    HA   LYS  38           HA       LYS  38   9.191 -13.797   4.748
  273    HB2  LYS  38           HB2      LYS  38  11.224 -14.694   5.814
  274    HB3  LYS  38           HB3      LYS  38  11.476 -14.078   4.215
  275    HG2  LYS  38           HG2      LYS  38  12.026 -11.932   6.139
  276    HG3  LYS  38           HG3      LYS  38  12.843 -13.420   6.661
  277    HD2  LYS  38           HD2      LYS  38  14.317 -12.088   5.209
  278    HD3  LYS  38           HD3      LYS  38  13.913 -13.642   4.453
  279    HE2  LYS  38           HE2      LYS  38  12.012 -12.396   3.256
  280    HE3  LYS  38           HE3      LYS  38  12.723 -10.894   3.854
  281    HZ1  LYS  38           HZ1      LYS  38  14.113 -12.893   2.131
  282    HZ2  LYS  38           HZ2      LYS  38  13.427 -11.484   1.610
  283    HZ3  LYS  38           HZ3      LYS  38  14.726 -11.429   2.592
  284    H    ALA  39           H        ALA  39   8.245 -11.372   6.180
  285    HA   ALA  39           HA       ALA  39   7.378 -12.808   8.559
  286    HB1  ALA  39           HB1      ALA  39   9.185 -10.376   8.808
  287    HB2  ALA  39           HB2      ALA  39   8.180 -11.011  10.133
  288    HB3  ALA  39           HB3      ALA  39   9.479 -12.003   9.438
  289    H    LEU  40           H        LEU  40   5.400 -12.585   7.376
  290    HA   LEU  40           HA       LEU  40   3.997 -10.183   8.242
  291    HB2  LEU  40           HB2      LEU  40   2.885 -10.924   5.604
  292    HB3  LEU  40           HB3      LEU  40   3.176  -9.421   6.349
  293    HG   LEU  40           HG       LEU  40   5.720  -9.777   5.617
  294   HD11  LEU  40          HD11      LEU  40   4.329 -11.790   3.807
  295   HD12  LEU  40          HD12      LEU  40   5.983 -11.177   3.605
  296   HD13  LEU  40          HD13      LEU  40   5.566 -12.149   5.010
  297   HD21  LEU  40          HD21      LEU  40   4.233  -8.095   4.644
  298   HD22  LEU  40          HD22      LEU  40   5.228  -8.858   3.391
  299   HD23  LEU  40          HD23      LEU  40   3.518  -9.319   3.572
  300    HA   PRO  41           HA       PRO  41   0.904 -13.081   9.125
  301    HB2  PRO  41           HB2      PRO  41  -1.532 -11.933   8.279
  302    HB3  PRO  41           HB3      PRO  41  -0.690 -11.542   9.805
  303    HG2  PRO  41           HG2      PRO  41  -0.475 -10.140   7.166
  304    HG3  PRO  41           HG3      PRO  41  -0.770  -9.414   8.782
  305    HD2  PRO  41           HD2      PRO  41   1.717  -9.415   7.849
  306    HD3  PRO  41           HD3      PRO  41   1.389  -9.994   9.518
  307    HA   PRO  42           HA       PRO  42   1.403 -15.118   5.524
  308    HB2  PRO  42           HB2      PRO  42   0.821 -17.645   6.115
  309    HB3  PRO  42           HB3      PRO  42   1.779 -16.641   7.233
  310    HG2  PRO  42           HG2      PRO  42  -1.224 -17.059   7.332
  311    HG3  PRO  42           HG3      PRO  42  -0.041 -17.468   8.617
  312    HD2  PRO  42           HD2      PRO  42  -1.275 -15.030   8.593
  313    HD3  PRO  42           HD3      PRO  42   0.454 -15.194   9.046
  314    H    GLY  43           H        GLY  43  -1.302 -13.858   5.351
  315    HA2  GLY  43           HA2      GLY  43  -2.771 -15.689   3.507
  316    HA3  GLY  43           HA3      GLY  43  -3.476 -14.306   4.382
  317    H    GLU  44           H        GLU  44  -4.447 -13.584   2.458
  318    HA   GLU  44           HA       GLU  44  -2.595 -12.220   0.562
  319    HB2  GLU  44           HB2      GLU  44  -4.388 -11.999  -0.990
  320    HB3  GLU  44           HB3      GLU  44  -4.244 -13.675  -0.571
  321    HG2  GLU  44           HG2      GLU  44  -6.126 -13.252   1.175
  322    HG3  GLU  44           HG3      GLU  44  -6.307 -11.700   0.312
  323    H    HIS  45           H        HIS  45  -2.932 -10.023   0.103
  324    HA   HIS  45           HA       HIS  45  -4.011  -8.361   2.339
  325    HB2  HIS  45           HB2      HIS  45  -1.154  -8.679   1.332
  326    HB3  HIS  45           HB3      HIS  45  -1.619  -7.378   2.396
  327    HD1  HIS  45           HD1      HIS  45  -3.352  -9.210   4.513
  328    HD2  HIS  45           HD2      HIS  45  -0.050 -10.544   2.355
  329    HE1  HIS  45           HE1      HIS  45  -2.551 -11.342   5.677
  330    HE2  HIS  45           HE2      HIS  45  -0.397 -12.096   4.379
  331    H    GLY  46           H        GLY  46  -5.072  -6.645   1.309
  332    HA2  GLY  46           HA2      GLY  46  -4.761  -5.610  -1.224
  333    HA3  GLY  46           HA3      GLY  46  -5.140  -4.598   0.185
  334    H    PHE  47           H        PHE  47  -3.468  -4.005  -2.242
  335    HA   PHE  47           HA       PHE  47  -1.178  -2.840  -0.741
  336    HB2  PHE  47           HB2      PHE  47   0.123  -4.366  -1.780
  337    HB3  PHE  47           HB3      PHE  47  -1.081  -4.745  -3.009
  338    HD1  PHE  47           HD1      PHE  47   1.494  -2.181  -2.116
  339    HD2  PHE  47           HD2      PHE  47  -0.681  -4.216  -5.201
  340    HE1  PHE  47           HE1      PHE  47   3.009  -1.146  -3.907
  341    HE2  PHE  47           HE2      PHE  47   0.784  -3.179  -6.952
  342    HZ   PHE  47           HZ       PHE  47   2.561  -1.582  -6.270
  343    H    HIS  48           H        HIS  48  -1.437  -0.697  -0.840
  344    HA   HIS  48           HA       HIS  48  -2.263   0.458  -3.529
  345    HB2  HIS  48           HB2      HIS  48  -2.598   1.730  -0.769
  346    HB3  HIS  48           HB3      HIS  48  -3.152   2.428  -2.281
  347    HD2  HIS  48           HD2      HIS  48  -4.696  -0.293  -3.345
  348    HE1  HIS  48           HE1      HIS  48  -7.095   0.282   0.104
  349    HE2  HIS  48           HE2      HIS  48  -6.980  -0.783  -2.211
  350    H    ILE  49           H        ILE  49  -1.651   2.727  -3.856
  351    HA   ILE  49           HA       ILE  49   0.990   3.545  -2.694
  352    HB   ILE  49           HB       ILE  49  -0.274   4.156  -5.383
  353   HG12  ILE  49          HG12      ILE  49   2.538   3.193  -4.685
  354   HG13  ILE  49          HG13      ILE  49   1.201   2.062  -4.963
  355   HG21  ILE  49          HG21      ILE  49   2.175   5.535  -4.174
  356   HG22  ILE  49          HG22      ILE  49   1.540   5.765  -5.816
  357   HG23  ILE  49          HG23      ILE  49   0.597   6.296  -4.435
  358   HD11  ILE  49          HD11      ILE  49   2.319   4.008  -7.012
  359   HD12  ILE  49          HD12      ILE  49   2.520   2.251  -6.965
  360   HD13  ILE  49          HD13      ILE  49   0.912   2.945  -7.249
  361    H    HIS  50           H        HIS  50   1.116   5.521  -1.760
  362    HA   HIS  50           HA       HIS  50  -1.403   6.999  -1.136
  363    HB2  HIS  50           HB2      HIS  50   0.565   5.678   0.746
  364    HB3  HIS  50           HB3      HIS  50  -0.233   7.168   1.222
  365    HD1  HIS  50           HD1      HIS  50  -2.110   6.608   2.767
  366    HD2  HIS  50           HD2      HIS  50  -1.737   3.855  -0.349
  367    HE1  HIS  50           HE1      HIS  50  -3.956   4.860   3.164
  368    H    ALA  51           H        ALA  51  -1.002   9.197  -0.326
  369    HA   ALA  51           HA       ALA  51   0.386  10.186  -2.559
  370    HB1  ALA  51           HB1      ALA  51  -1.028  11.789  -0.429
  371    HB2  ALA  51           HB2      ALA  51  -0.707  12.286  -2.093
  372    HB3  ALA  51           HB3      ALA  51  -1.832  10.952  -1.768
  373    H    ASN  52           H        ASN  52   1.490  10.482   0.794
  374    HA   ASN  52           HA       ASN  52   3.994  11.695  -0.334
  375    HB2  ASN  52           HB2      ASN  52   2.547  12.649   2.167
  376    HB3  ASN  52           HB3      ASN  52   4.156  13.163   1.666
  377   HD21  ASN  52          HD21      ASN  52   0.791  13.759   1.299
  378   HD22  ASN  52          HD22      ASN  52   0.911  14.911  -0.011
  379    H    GLY  53           H        GLY  53   5.926  11.193   0.656
  380    HA2  GLY  53           HA2      GLY  53   6.059   8.681   2.097
  381    HA3  GLY  53           HA3      GLY  53   7.417   9.718   1.612
  382    H    SER  54           H        SER  54   4.789   9.480   4.038
  383    HA   SER  54           HA       SER  54   6.679   9.654   6.210
  384    HB2  SER  54           HB2      SER  54   6.532  12.088   5.533
  385    HB3  SER  54           HB3      SER  54   4.855  12.060   6.081
  386    HG   SER  54           HG       SER  54   6.391  12.716   7.700
  387    H    CYS  55           H        CYS  55   5.459   7.583   6.349
  388    HA   CYS  55           HA       CYS  55   2.797   7.374   7.083
  389    HB2  CYS  55           HB2      CYS  55   5.105   5.529   7.693
  390    HB3  CYS  55           HB3      CYS  55   3.426   5.067   7.444
  391    H    GLN  56           H        GLN  56   3.992   9.343   8.923
  392    HA   GLN  56           HA       GLN  56   4.239   7.933  11.521
  393    HB2  GLN  56           HB2      GLN  56   4.691  10.860  10.887
  394    HB3  GLN  56           HB3      GLN  56   5.091  10.047  12.397
  395    HG2  GLN  56           HG2      GLN  56   6.383   9.449   9.686
  396    HG3  GLN  56           HG3      GLN  56   7.034  10.510  10.912
  397   HE21  GLN  56          HE21      GLN  56   8.970   9.087  10.708
  398   HE22  GLN  56          HE22      GLN  56   8.986   7.625  11.681
  399    HA   PRO  57           HA       PRO  57   0.023   9.161  12.455
  400    HB2  PRO  57           HB2      PRO  57  -0.271   8.116  14.933
  401    HB3  PRO  57           HB3      PRO  57   0.012   7.072  13.511
  402    HG2  PRO  57           HG2      PRO  57   2.053   8.049  15.529
  403    HG3  PRO  57           HG3      PRO  57   1.805   6.384  14.908
  404    HD2  PRO  57           HD2      PRO  57   3.692   8.103  13.884
  405    HD3  PRO  57           HD3      PRO  57   2.860   6.861  12.892
  406    H    ALA  58           H        ALA  58  -1.261  10.537  13.694
  407    HA   ALA  58           HA       ALA  58   0.083  12.381  15.610
  408    HB1  ALA  58           HB1      ALA  58  -2.641  12.550  14.231
  409    HB2  ALA  58           HB2      ALA  58  -1.971  13.744  15.365
  410    HB3  ALA  58           HB3      ALA  58  -1.187  13.474  13.801
  411    H    ILE  59           H        ILE  59  -0.654  12.448  17.751
  412    HA   ILE  59           HA       ILE  59  -2.159  10.046  18.661
  413    HB   ILE  59           HB       ILE  59  -0.590  11.859  20.481
  414   HG12  ILE  59          HG12      ILE  59   1.065  11.303  18.805
  415   HG13  ILE  59          HG13      ILE  59   1.374  10.422  20.283
  416   HG21  ILE  59          HG21      ILE  59  -1.363   8.904  20.588
  417   HG22  ILE  59          HG22      ILE  59  -0.361   9.744  21.790
  418   HG23  ILE  59          HG23      ILE  59  -2.043  10.212  21.563
  419   HD11  ILE  59          HD11      ILE  59   0.101   9.214  17.787
  420   HD12  ILE  59          HD12      ILE  59   1.783   9.035  18.301
  421   HD13  ILE  59          HD13      ILE  59   0.492   8.346  19.292
  422    H    LYS  60           H        LYS  60  -3.930  11.600  17.572
  423    HA   LYS  60           HA       LYS  60  -5.020  13.676  19.265
  424    HB2  LYS  60           HB2      LYS  60  -5.530  12.630  16.634
  425    HB3  LYS  60           HB3      LYS  60  -7.012  12.409  17.542
  426    HG2  LYS  60           HG2      LYS  60  -7.173  14.526  16.477
  427    HG3  LYS  60           HG3      LYS  60  -6.904  14.862  18.193
  428    HD2  LYS  60           HD2      LYS  60  -4.480  15.259  17.709
  429    HD3  LYS  60           HD3      LYS  60  -4.776  14.910  15.995
  430    HE2  LYS  60           HE2      LYS  60  -6.334  16.823  15.853
  431    HE3  LYS  60           HE3      LYS  60  -6.115  17.152  17.581
  432    HZ1  LYS  60           HZ1      LYS  60  -3.972  17.259  15.535
  433    HZ2  LYS  60           HZ2      LYS  60  -4.689  18.569  16.242
  434    HZ3  LYS  60           HZ3      LYS  60  -3.776  17.556  17.155
  435    H    ASP  61           H        ASP  61  -6.549  13.620  20.864
  436    HA   ASP  61           HA       ASP  61  -7.737  12.791  22.617
  437    HB2  ASP  61           HB2      ASP  61  -9.273  12.347  20.690
  438    HB3  ASP  61           HB3      ASP  61  -8.688  10.687  20.632
  439    H    GLY  62           H        GLY  62  -4.957  11.741  22.256
  440    HA2  GLY  62           HA2      GLY  62  -3.596  10.455  23.615
  441    HA3  GLY  62           HA3      GLY  62  -5.042   9.803  24.426
  442    H    GLN  63           H        GLN  63  -5.084   9.371  20.975
  443    HA   GLN  63           HA       GLN  63  -3.850   6.675  21.201
  444    HB2  GLN  63           HB2      GLN  63  -5.710   5.598  20.120
  445    HB3  GLN  63           HB3      GLN  63  -6.239   6.398  21.587
  446    HG2  GLN  63           HG2      GLN  63  -6.761   8.344  19.679
  447    HG3  GLN  63           HG3      GLN  63  -7.049   6.870  18.777
  448   HE21  GLN  63          HE21      GLN  63  -7.962   8.633  21.828
  449   HE22  GLN  63          HE22      GLN  63  -9.585   8.054  21.797
  450    H    ALA  64           H        ALA  64  -2.911   5.855  19.286
  451    HA   ALA  64           HA       ALA  64  -1.944   8.015  17.592
  452    HB1  ALA  64           HB1      ALA  64  -1.316   5.049  17.616
  453    HB2  ALA  64           HB2      ALA  64  -0.376   6.321  16.802
  454    HB3  ALA  64           HB3      ALA  64  -0.464   6.281  18.571
  455    H    VAL  65           H        VAL  65  -3.261   8.712  16.036
  456    HA   VAL  65           HA       VAL  65  -5.143   7.016  14.661
  457    HB   VAL  65           HB       VAL  65  -4.461   9.898  13.966
  458   HG11  VAL  65          HG11      VAL  65  -7.009   8.235  13.595
  459   HG12  VAL  65          HG12      VAL  65  -6.842   9.960  13.208
  460   HG13  VAL  65          HG13      VAL  65  -5.936   8.760  12.290
  461   HG21  VAL  65          HG21      VAL  65  -4.997   9.850  16.347
  462   HG22  VAL  65          HG22      VAL  65  -6.375  10.498  15.464
  463   HG23  VAL  65          HG23      VAL  65  -6.415   8.821  16.048
  464    H    ALA  66           H        ALA  66  -3.256   5.623  14.064
  465    HA   ALA  66           HA       ALA  66  -2.253   4.381  12.510
  466    HB1  ALA  66           HB1      ALA  66  -3.984   5.917  10.548
  467    HB2  ALA  66           HB2      ALA  66  -3.179   4.357  10.260
  468    HB3  ALA  66           HB3      ALA  66  -4.460   4.487  11.491
  469    H    ALA  67           H        ALA  67  -2.328   7.503  10.863
  470    HA   ALA  67           HA       ALA  67   0.383   8.156  10.599
  471    HB1  ALA  67           HB1      ALA  67  -0.735   6.625   8.220
  472    HB2  ALA  67           HB2      ALA  67   0.730   7.623   8.195
  473    HB3  ALA  67           HB3      ALA  67   0.678   6.174   9.210
  474    H    GLU  68           H        GLU  68   0.144  10.395  10.337
  475    HA   GLU  68           HA       GLU  68  -2.304  11.400   8.913
  476    HB2  GLU  68           HB2      GLU  68  -2.176  12.189  11.195
  477    HB3  GLU  68           HB3      GLU  68  -0.544  12.827  10.946
  478    HG2  GLU  68           HG2      GLU  68  -1.324  14.551   9.485
  479    HG3  GLU  68           HG3      GLU  68  -2.864  13.742   9.215
  480    H    ALA  69           H        ALA  69   1.276  11.965   9.087
  481    HA   ALA  69           HA       ALA  69   1.187  13.941   7.017
  482    HB1  ALA  69           HB1      ALA  69   3.523  12.386   8.207
  483    HB2  ALA  69           HB2      ALA  69   3.648  13.877   7.247
  484    HB3  ALA  69           HB3      ALA  69   2.847  13.907   8.828
  485    H    ALA  70           H        ALA  70   0.574  10.838   6.498
  486    HA   ALA  70           HA       ALA  70   2.228  10.182   4.207
  487    HB1  ALA  70           HB1      ALA  70  -0.260   8.844   5.366
  488    HB2  ALA  70           HB2      ALA  70   0.879   8.126   4.198
  489    HB3  ALA  70           HB3      ALA  70   1.424   8.514   5.836
  490    H    GLY  71           H        GLY  71  -0.431  12.244   4.404
  491    HA2  GLY  71           HA2      GLY  71  -1.120  13.567   2.621
  492    HA3  GLY  71           HA3      GLY  71  -0.347  12.426   1.512
  493    H    GLY  72           H        GLY  72  -2.198  10.296   2.889
  494    HA2  GLY  72           HA2      GLY  72  -4.580   9.798   2.779
  495    HA3  GLY  72           HA3      GLY  72  -4.751  10.945   1.452
  496    H    HIS  73           H        HIS  73  -5.912   9.191   0.454
  497    HA   HIS  73           HA       HIS  73  -4.617   6.644  -0.193
  498    HB2  HIS  73           HB2      HIS  73  -7.275   7.566   0.221
  499    HB3  HIS  73           HB3      HIS  73  -7.223   7.177  -1.475
  500    HD2  HIS  73           HD2      HIS  73  -5.936   5.496   1.786
  501    HE1  HIS  73           HE1      HIS  73  -7.940   2.427  -0.347
  502    HE2  HIS  73           HE2      HIS  73  -6.613   2.999   1.763
  503    H    LEU  74           H        LEU  74  -3.948   9.431  -1.452
  504    HA   LEU  74           HA       LEU  74  -3.300  10.357  -3.370
  505    HB2  LEU  74           HB2      LEU  74  -1.918   8.336  -3.613
  506    HB3  LEU  74           HB3      LEU  74  -3.193   7.533  -4.508
  507    HG   LEU  74           HG       LEU  74  -2.964   9.091  -6.367
  508   HD11  LEU  74          HD11      LEU  74  -0.894  10.551  -4.663
  509   HD12  LEU  74          HD12      LEU  74  -1.167  10.826  -6.398
  510   HD13  LEU  74          HD13      LEU  74  -2.444  11.205  -5.244
  511   HD21  LEU  74          HD21      LEU  74  -1.417   7.147  -6.216
  512   HD22  LEU  74          HD22      LEU  74  -0.672   8.517  -7.060
  513   HD23  LEU  74          HD23      LEU  74  -0.231   8.177  -5.379
  514    H    ASP  75           H        ASP  75  -5.532  10.875  -2.692
  515    HA   ASP  75           HA       ASP  75  -7.450  10.630  -4.964
  516    HB2  ASP  75           HB2      ASP  75  -9.240  10.645  -3.330
  517    HB3  ASP  75           HB3      ASP  75  -8.121   9.305  -3.086
  518    HA   PRO  76           HA       PRO  76  -6.326  15.134  -4.191
  519    HB2  PRO  76           HB2      PRO  76  -5.780  15.847  -6.794
  520    HB3  PRO  76           HB3      PRO  76  -4.571  15.129  -5.681
  521    HG2  PRO  76           HG2      PRO  76  -6.228  13.719  -7.794
  522    HG3  PRO  76           HG3      PRO  76  -4.465  13.590  -7.492
  523    HD2  PRO  76           HD2      PRO  76  -6.201  11.759  -6.498
  524    HD3  PRO  76           HD3      PRO  76  -4.798  12.313  -5.536
  525    H    GLN  77           H        GLN  77  -8.250  13.693  -6.844
  526    HA   GLN  77           HA       GLN  77 -10.643  15.158  -6.253
  527    HB2  GLN  77           HB2      GLN  77 -10.756  16.364  -8.431
  528    HB3  GLN  77           HB3      GLN  77  -9.522  16.989  -7.347
  529    HG2  GLN  77           HG2      GLN  77  -7.800  15.612  -8.668
  530    HG3  GLN  77           HG3      GLN  77  -9.092  15.251  -9.813
  531   HE21  GLN  77          HE21      GLN  77  -7.602  16.326 -11.417
  532   HE22  GLN  77          HE22      GLN  77  -7.606  18.083 -11.462
  533    H    ASN  78           H        ASN  78 -12.355  14.104  -7.173
  534    HA   ASN  78           HA       ASN  78 -12.915  12.528  -9.204
  535    HB2  ASN  78           HB2      ASN  78 -12.471  10.167  -8.704
  536    HB3  ASN  78           HB3      ASN  78 -11.007  11.029  -8.979
  537   HD21  ASN  78          HD21      ASN  78  -9.581  11.391  -7.197
  538   HD22  ASN  78          HD22      ASN  78  -9.770  10.544  -5.650
  539    H    THR  79           H        THR  79 -14.203  10.308  -8.086
  540    HA   THR  79           HA       THR  79 -16.539  11.412  -6.828
  541    HB   THR  79           HB       THR  79 -16.579   9.708  -8.556
  542    HG1  THR  79           HG1      THR  79 -17.764   9.427  -6.122
  543   HG21  THR  79          HG21      THR  79 -15.440   7.772  -6.515
  544   HG22  THR  79          HG22      THR  79 -15.904   7.485  -8.206
  545   HG23  THR  79          HG23      THR  79 -14.498   8.463  -7.857
  546    H    GLY  80           H        GLY  80 -13.685  10.189  -5.354
  547    HA2  GLY  80           HA2      GLY  80 -13.154  10.229  -3.120
  548    HA3  GLY  80           HA3      GLY  80 -14.828  10.704  -2.760
  549    H    LYS  81           H        LYS  81 -16.044   8.278  -3.891
  550    HA   LYS  81           HA       LYS  81 -16.247   6.924  -1.472
  551    HB2  LYS  81           HB2      LYS  81 -17.723   5.369  -2.617
  552    HB3  LYS  81           HB3      LYS  81 -18.049   7.023  -3.106
  553    HG2  LYS  81           HG2      LYS  81 -17.257   6.718  -5.264
  554    HG3  LYS  81           HG3      LYS  81 -16.169   5.402  -4.828
  555    HD2  LYS  81           HD2      LYS  81 -19.180   5.053  -4.705
  556    HD3  LYS  81           HD3      LYS  81 -18.275   4.825  -6.205
  557    HE2  LYS  81           HE2      LYS  81 -16.858   3.116  -5.176
  558    HE3  LYS  81           HE3      LYS  81 -17.668   3.333  -3.622
  559    HZ1  LYS  81           HZ1      LYS  81 -18.976   2.339  -6.105
  560    HZ2  LYS  81           HZ2      LYS  81 -18.580   1.448  -4.751
  561    HZ3  LYS  81           HZ3      LYS  81 -19.732   2.594  -4.678
  562    H    HIS  82           H        HIS  82 -13.702   6.302  -3.565
  563    HA   HIS  82           HA       HIS  82 -11.998   4.806  -3.594
  564    HB2  HIS  82           HB2      HIS  82 -12.100   4.484  -1.154
  565    HB3  HIS  82           HB3      HIS  82 -13.371   3.293  -1.340
  566    HD2  HIS  82           HD2      HIS  82 -12.830   0.887  -1.857
  567    HE1  HIS  82           HE1      HIS  82  -8.733   1.104  -2.834
  568    HE2  HIS  82           HE2      HIS  82 -10.688  -0.427  -2.517
  569    H    GLU  83           H        GLU  83 -11.462   2.694  -4.496
  570    HA   GLU  83           HA       GLU  83 -13.585   1.261  -5.935
  571    HB2  GLU  83           HB2      GLU  83 -13.268   3.280  -7.207
  572    HB3  GLU  83           HB3      GLU  83 -11.509   3.132  -7.163
  573    HG2  GLU  83           HG2      GLU  83 -12.391   2.599  -9.341
  574    HG3  GLU  83           HG3      GLU  83 -11.644   1.161  -8.642
  575    H    GLY  84           H        GLY  84 -12.819  -0.608  -6.840
  576    HA2  GLY  84           HA2      GLY  84  -9.934  -1.358  -6.546
  577    HA3  GLY  84           HA3      GLY  84 -11.233  -2.538  -6.325
  578    HA   PRO  85           HA       PRO  85 -10.988  -3.433 -10.503
  579    HB2  PRO  85           HB2      PRO  85 -13.393  -4.549 -11.138
  580    HB3  PRO  85           HB3      PRO  85 -12.324  -5.222  -9.871
  581    HG2  PRO  85           HG2      PRO  85 -14.682  -3.335  -9.493
  582    HG3  PRO  85           HG3      PRO  85 -14.371  -4.889  -8.656
  583    HD2  PRO  85           HD2      PRO  85 -13.656  -2.520  -7.543
  584    HD3  PRO  85           HD3      PRO  85 -12.608  -3.962  -7.396
  585    H    GLU  86           H        GLU  86 -13.590  -1.006 -10.017
  586    HA   GLU  86           HA       GLU  86 -13.746  -0.618 -12.984
  587    HB2  GLU  86           HB2      GLU  86 -15.718   0.228 -10.832
  588    HB3  GLU  86           HB3      GLU  86 -15.863   0.527 -12.567
  589    HG2  GLU  86           HG2      GLU  86 -15.798  -1.966 -12.930
  590    HG3  GLU  86           HG3      GLU  86 -15.908  -2.170 -11.175
  591    H    GLY  87           H        GLY  87 -14.812   2.091 -12.737
  592    HA2  GLY  87           HA2      GLY  87 -12.214   3.532 -12.383
  593    HA3  GLY  87           HA3      GLY  87 -13.526   3.972 -13.492
  594    H    GLN  88           H        GLN  88 -14.588   3.158 -10.255
  595    HA   GLN  88           HA       GLN  88 -15.407   5.995 -10.023
  596    HB2  GLN  88           HB2      GLN  88 -17.019   3.954 -10.258
  597    HB3  GLN  88           HB3      GLN  88 -16.661   3.652  -8.565
  598    HG2  GLN  88           HG2      GLN  88 -18.707   4.976  -8.765
  599    HG3  GLN  88           HG3      GLN  88 -17.472   5.961  -8.014
  600   HE21  GLN  88          HE21      GLN  88 -18.236   8.061  -8.688
  601   HE22  GLN  88          HE22      GLN  88 -18.371   8.461 -10.394
  602    H    GLY  89           H        GLY  89 -12.837   5.873  -9.210
  603    HA2  GLY  89           HA2      GLY  89 -13.025   6.852  -6.530
  604    HA3  GLY  89           HA3      GLY  89 -12.385   5.239  -6.467
  605    H    HIS  90           H        HIS  90 -10.331   5.606  -5.844
  606    HA   HIS  90           HA       HIS  90  -8.865   7.948  -6.854
  607    HB2  HIS  90           HB2      HIS  90  -7.664   6.198  -4.765
  608    HB3  HIS  90           HB3      HIS  90  -7.693   7.929  -4.903
  609    HD2  HIS  90           HD2      HIS  90 -10.469   8.931  -4.428
  610    HE1  HIS  90           HE1      HIS  90 -10.893   6.291  -1.142
  611    HE2  HIS  90           HE2      HIS  90 -11.771   8.396  -2.252
  612    H    LEU  91           H        LEU  91  -6.732   7.858  -7.738
  613    HA   LEU  91           HA       LEU  91  -6.350   5.548  -9.434
  614    HB2  LEU  91           HB2      LEU  91  -4.725   6.846 -10.575
  615    HB3  LEU  91           HB3      LEU  91  -6.101   7.850 -10.184
  616    HG   LEU  91           HG       LEU  91  -4.571   8.535  -8.070
  617   HD11  LEU  91          HD11      LEU  91  -2.547   7.722 -10.220
  618   HD12  LEU  91          HD12      LEU  91  -2.185   8.745  -8.824
  619   HD13  LEU  91          HD13      LEU  91  -2.659   7.060  -8.577
  620   HD21  LEU  91          HD21      LEU  91  -5.470  10.087  -9.753
  621   HD22  LEU  91          HD22      LEU  91  -3.784  10.469  -9.377
  622   HD23  LEU  91          HD23      LEU  91  -4.182   9.624 -10.889
  623    H    GLY  92           H        GLY  92  -4.940   6.333  -6.353
  624    HA2  GLY  92           HA2      GLY  92  -2.616   4.591  -6.637
  625    HA3  GLY  92           HA3      GLY  92  -3.228   5.334  -5.138
  626    H    ASP  93           H        ASP  93  -5.845   3.745  -6.421
  627    HA   ASP  93           HA       ASP  93  -5.521   1.505  -4.573
  628    HB2  ASP  93           HB2      ASP  93  -7.881   2.398  -6.258
  629    HB3  ASP  93           HB3      ASP  93  -7.904   1.120  -5.051
  630    H    LEU  94           H        LEU  94  -5.573  -0.677  -5.113
  631    HA   LEU  94           HA       LEU  94  -4.351  -1.415  -7.707
  632    HB2  LEU  94           HB2      LEU  94  -3.072  -0.239  -5.312
  633    HB3  LEU  94           HB3      LEU  94  -2.394  -1.801  -5.708
  634    HG   LEU  94           HG       LEU  94  -1.459  -1.119  -7.637
  635   HD11  LEU  94          HD11      LEU  94  -2.941   1.540  -7.547
  636   HD12  LEU  94          HD12      LEU  94  -1.665   1.114  -8.701
  637   HD13  LEU  94          HD13      LEU  94  -3.200   0.240  -8.737
  638   HD21  LEU  94          HD21      LEU  94  -0.404  -0.356  -5.517
  639   HD22  LEU  94          HD22      LEU  94   0.064   0.582  -6.941
  640   HD23  LEU  94          HD23      LEU  94  -1.118   1.245  -5.793
  641    HA   PRO  95           HA       PRO  95  -5.482  -5.420  -6.504
  642    HB2  PRO  95           HB2      PRO  95  -3.638  -7.128  -7.557
  643    HB3  PRO  95           HB3      PRO  95  -4.565  -5.983  -8.572
  644    HG2  PRO  95           HG2      PRO  95  -1.775  -5.608  -7.425
  645    HG3  PRO  95           HG3      PRO  95  -2.301  -5.409  -9.129
  646    HD2  PRO  95           HD2      PRO  95  -2.112  -3.307  -7.413
  647    HD3  PRO  95           HD3      PRO  95  -3.406  -3.384  -8.649
  648    H    VAL  96           H        VAL  96  -4.900  -7.648  -5.535
  649    HA   VAL  96           HA       VAL  96  -3.900  -7.152  -2.857
  650    HB   VAL  96           HB       VAL  96  -4.809  -9.849  -3.851
  651   HG11  VAL  96          HG11      VAL  96  -5.108  -8.539  -1.156
  652   HG12  VAL  96          HG12      VAL  96  -5.554 -10.186  -1.586
  653   HG13  VAL  96          HG13      VAL  96  -3.843  -9.726  -1.604
  654   HG21  VAL  96          HG21      VAL  96  -6.638  -8.369  -4.529
  655   HG22  VAL  96          HG22      VAL  96  -7.085  -9.368  -3.138
  656   HG23  VAL  96          HG23      VAL  96  -6.669  -7.653  -2.893
  657    H    LEU  97           H        LEU  97  -2.008  -7.594  -2.081
  658    HA   LEU  97           HA       LEU  97   0.154  -9.120  -3.318
  659    HB2  LEU  97           HB2      LEU  97   0.286  -6.943  -1.958
  660    HB3  LEU  97           HB3      LEU  97  -0.196  -7.834  -0.575
  661    HG   LEU  97           HG       LEU  97   1.866  -8.163  -0.035
  662   HD11  LEU  97          HD11      LEU  97   2.355  -9.675  -2.645
  663   HD12  LEU  97          HD12      LEU  97   3.444  -9.642  -1.245
  664   HD13  LEU  97          HD13      LEU  97   1.860 -10.389  -1.089
  665   HD21  LEU  97          HD21      LEU  97   2.345  -6.161  -1.227
  666   HD22  LEU  97          HD22      LEU  97   3.741  -7.253  -1.256
  667   HD23  LEU  97          HD23      LEU  97   2.721  -7.082  -2.710
  668    H    VAL  98           H        VAL  98  -0.828 -11.239  -3.453
  669    HA   VAL  98           HA       VAL  98  -1.685 -12.728  -1.122
  670    HB   VAL  98           HB       VAL  98  -0.504 -13.774  -3.728
  671   HG11  VAL  98          HG11      VAL  98  -2.108 -15.180  -1.535
  672   HG12  VAL  98          HG12      VAL  98  -1.697 -15.888  -3.113
  673   HG13  VAL  98          HG13      VAL  98  -0.414 -15.499  -1.966
  674   HG21  VAL  98          HG21      VAL  98  -2.538 -12.456  -4.151
  675   HG22  VAL  98          HG22      VAL  98  -2.866 -14.176  -4.372
  676   HG23  VAL  98          HG23      VAL  98  -3.409 -13.359  -2.893
  677    H    VAL  99           H        VAL  99  -0.346 -13.551   0.535
  678    HA   VAL  99           HA       VAL  99   2.519 -14.131  -0.074
  679    HB   VAL  99           HB       VAL  99   3.288 -13.590   2.021
  680   HG11  VAL  99          HG11      VAL  99   1.333 -11.428   1.273
  681   HG12  VAL  99          HG12      VAL  99   2.524 -11.235   2.573
  682   HG13  VAL  99          HG13      VAL  99   3.020 -11.524   0.879
  683   HG21  VAL  99          HG21      VAL  99   1.564 -14.645   3.411
  684   HG22  VAL  99          HG22      VAL  99   2.273 -13.155   4.019
  685   HG23  VAL  99          HG23      VAL  99   0.661 -13.116   3.317
  686    H    ASN 100           H        ASN 100   3.321 -16.051   1.318
  687    HA   ASN 100           HA       ASN 100   1.209 -18.106   1.049
  688    HB2  ASN 100           HB2      ASN 100   2.788 -19.536   0.439
  689    HB3  ASN 100           HB3      ASN 100   3.774 -18.107   0.160
  690   HD21  ASN 100          HD21      ASN 100   5.333 -17.505   1.925
  691   HD22  ASN 100          HD22      ASN 100   5.898 -18.813   2.983
  692    H    ASN 101           H        ASN 101   0.959 -19.818   2.526
  693    HA   ASN 101           HA       ASN 101   0.078 -19.230   4.989
  694    HB2  ASN 101           HB2      ASN 101  -0.427 -21.434   5.206
  695    HB3  ASN 101           HB3      ASN 101  -0.174 -21.332   3.465
  696   HD21  ASN 101          HD21      ASN 101   2.675 -21.499   3.234
  697   HD22  ASN 101          HD22      ASN 101   3.238 -22.861   4.142
  698    H    ASP 102           H        ASP 102   3.461 -19.592   4.443
  699    HA   ASP 102           HA       ASP 102   4.094 -20.237   7.265
  700    HB2  ASP 102           HB2      ASP 102   5.058 -21.384   5.089
  701    HB3  ASP 102           HB3      ASP 102   6.106 -19.973   5.014
  702    H    GLY 103           H        GLY 103   3.517 -17.454   5.585
  703    HA2  GLY 103           HA2      GLY 103   3.697 -15.285   6.419
  704    HA3  GLY 103           HA3      GLY 103   4.967 -15.793   7.552
  705    H    ILE 104           H        ILE 104   5.150 -16.428   4.100
  706    HA   ILE 104           HA       ILE 104   7.267 -14.331   3.769
  707    HB   ILE 104           HB       ILE 104   7.438 -17.259   2.919
  708   HG12  ILE 104          HG12      ILE 104   9.493 -15.990   4.721
  709   HG13  ILE 104          HG13      ILE 104   7.998 -16.557   5.433
  710   HG21  ILE 104          HG21      ILE 104   9.483 -15.060   2.449
  711   HG22  ILE 104          HG22      ILE 104   9.714 -16.777   2.097
  712   HG23  ILE 104          HG23      ILE 104   8.503 -15.869   1.207
  713   HD11  ILE 104          HD11      ILE 104   9.943 -18.265   3.839
  714   HD12  ILE 104          HD12      ILE 104   9.659 -18.294   5.589
  715   HD13  ILE 104          HD13      ILE 104   8.380 -18.821   4.485
  716    H    ALA 105           H        ALA 105   7.400 -13.379   1.804
  717    HA   ALA 105           HA       ALA 105   5.131 -13.835  -0.088
  718    HB1  ALA 105           HB1      ALA 105   6.643 -11.274   0.615
  719    HB2  ALA 105           HB2      ALA 105   5.162 -11.414  -0.367
  720    HB3  ALA 105           HB3      ALA 105   5.132 -11.769   1.375
  721    H    THR 106           H        THR 106   5.691 -14.358  -2.138
  722    HA   THR 106           HA       THR 106   8.077 -13.215  -3.427
  723    HB   THR 106           HB       THR 106   8.909 -15.222  -2.251
  724    HG1  THR 106           HG1      THR 106   8.840 -15.024  -5.041
  725   HG21  THR 106          HG21      THR 106   7.204 -16.787  -4.253
  726   HG22  THR 106          HG22      THR 106   8.434 -17.446  -3.159
  727   HG23  THR 106          HG23      THR 106   6.953 -16.741  -2.492
  728    H    GLU 107           H        GLU 107   4.884 -13.799  -3.785
  729    HA   GLU 107           HA       GLU 107   4.874 -14.672  -6.591
  730    HB2  GLU 107           HB2      GLU 107   2.775 -14.051  -4.498
  731    HB3  GLU 107           HB3      GLU 107   2.335 -14.135  -6.201
  732    HG2  GLU 107           HG2      GLU 107   3.773 -16.405  -4.765
  733    HG3  GLU 107           HG3      GLU 107   2.014 -16.271  -4.883
  734    HA   PRO 108           HA       PRO 108   4.846 -10.263  -7.682
  735    HB2  PRO 108           HB2      PRO 108   4.960 -10.443 -10.402
  736    HB3  PRO 108           HB3      PRO 108   6.361 -10.833  -9.363
  737    HG2  PRO 108           HG2      PRO 108   4.337 -12.756 -10.551
  738    HG3  PRO 108           HG3      PRO 108   6.126 -12.873 -10.597
  739    HD2  PRO 108           HD2      PRO 108   4.625 -14.197  -8.735
  740    HD3  PRO 108           HD3      PRO 108   6.232 -13.525  -8.334
  741    H    VAL 109           H        VAL 109   3.429  -8.764  -8.576
  742    HA   VAL 109           HA       VAL 109   1.022  -9.601 -10.063
  743    HB   VAL 109           HB       VAL 109  -0.483  -8.132  -8.795
  744   HG11  VAL 109          HG11      VAL 109   0.672 -10.267  -6.962
  745   HG12  VAL 109          HG12      VAL 109  -0.968  -9.593  -6.944
  746   HG13  VAL 109          HG13      VAL 109  -0.440 -10.572  -8.321
  747   HG21  VAL 109          HG21      VAL 109   1.091  -6.596  -7.721
  748   HG22  VAL 109          HG22      VAL 109   0.058  -7.363  -6.512
  749   HG23  VAL 109          HG23      VAL 109   1.733  -7.914  -6.711
  750    H    THR 110           H        THR 110  -0.071  -7.553 -11.047
  751    HA   THR 110           HA       THR 110   1.902  -5.351 -11.480
  752    HB   THR 110           HB       THR 110   0.402  -6.613 -13.808
  753    HG1  THR 110           HG1      THR 110   2.246  -7.841 -14.264
  754   HG21  THR 110          HG21      THR 110   3.121  -5.228 -13.743
  755   HG22  THR 110          HG22      THR 110   2.151  -5.640 -15.167
  756   HG23  THR 110          HG23      THR 110   1.603  -4.384 -14.052
  757    H    ALA 111           H        ALA 111   1.070  -3.371 -11.854
  758    HA   ALA 111           HA       ALA 111  -1.899  -3.110 -12.077
  759    HB1  ALA 111           HB1      ALA 111  -0.030  -1.541 -10.263
  760    HB2  ALA 111           HB2      ALA 111  -1.779  -1.277 -10.443
  761    HB3  ALA 111           HB3      ALA 111  -1.174  -2.801  -9.757
  762    HA   PRO 112           HA       PRO 112  -0.318  -0.452 -15.425
  763    HB2  PRO 112           HB2      PRO 112  -2.541  -0.322 -16.990
  764    HB3  PRO 112           HB3      PRO 112  -1.587  -1.819 -16.812
  765    HG2  PRO 112           HG2      PRO 112  -4.093  -1.029 -15.288
  766    HG3  PRO 112           HG3      PRO 112  -3.774  -2.560 -16.171
  767    HD2  PRO 112           HD2      PRO 112  -3.378  -2.339 -13.489
  768    HD3  PRO 112           HD3      PRO 112  -2.279  -3.316 -14.510
  769    H    ARG 113           H        ARG 113  -2.058   0.605 -12.867
  770    HA   ARG 113           HA       ARG 113  -3.282   3.016 -14.018
  771    HB2  ARG 113           HB2      ARG 113  -3.023   1.964 -11.174
  772    HB3  ARG 113           HB3      ARG 113  -3.651   3.579 -11.537
  773    HG2  ARG 113           HG2      ARG 113  -5.364   2.610 -13.033
  774    HG3  ARG 113           HG3      ARG 113  -4.814   0.978 -12.618
  775    HD2  ARG 113           HD2      ARG 113  -5.470   1.288 -10.301
  776    HD3  ARG 113           HD3      ARG 113  -5.839   3.000 -10.575
  777    HE   ARG 113           HE       ARG 113  -7.505   1.951 -12.372
  778   HH11  ARG 113          HH11      ARG 113  -7.116   0.795  -9.010
  779   HH12  ARG 113          HH12      ARG 113  -8.710   0.048  -9.085
  780   HH21  ARG 113          HH21      ARG 113  -9.468   1.174 -12.259
  781   HH22  ARG 113          HH22      ARG 113 -10.089   0.402 -10.838
  782    H    LEU 114           H        LEU 114  -0.158   2.219 -12.892
  783    HA   LEU 114           HA       LEU 114   0.772   4.958 -13.418
  784    HB2  LEU 114           HB2      LEU 114   1.629   3.394 -10.930
  785    HB3  LEU 114           HB3      LEU 114   2.447   4.793 -11.614
  786    HG   LEU 114           HG       LEU 114   0.079   5.982 -11.328
  787   HD11  LEU 114          HD11      LEU 114   0.005   3.824  -9.157
  788   HD12  LEU 114          HD12      LEU 114  -1.040   5.256  -9.214
  789   HD13  LEU 114          HD13      LEU 114  -1.183   4.012 -10.449
  790   HD21  LEU 114          HD21      LEU 114   2.170   6.685 -10.257
  791   HD22  LEU 114          HD22      LEU 114   0.825   6.781  -9.113
  792   HD23  LEU 114          HD23      LEU 114   1.978   5.428  -9.015
  793    H    LYS 115           H        LYS 115   2.806   4.910 -14.401
  794    HA   LYS 115           HA       LYS 115   3.501   2.253 -15.583
  795    HB2  LYS 115           HB2      LYS 115   2.837   4.896 -16.929
  796    HB3  LYS 115           HB3      LYS 115   3.454   3.469 -17.776
  797    HG2  LYS 115           HG2      LYS 115   1.473   2.157 -17.150
  798    HG3  LYS 115           HG3      LYS 115   0.858   3.486 -16.168
  799    HD2  LYS 115           HD2      LYS 115  -0.381   3.470 -18.163
  800    HD3  LYS 115           HD3      LYS 115   0.637   4.914 -18.169
  801    HE2  LYS 115           HE2      LYS 115   2.226   3.824 -19.710
  802    HE3  LYS 115           HE3      LYS 115   1.305   2.310 -19.620
  803    HZ1  LYS 115           HZ1      LYS 115   0.251   4.864 -20.707
  804    HZ2  LYS 115           HZ2      LYS 115   0.751   3.582 -21.604
  805    HZ3  LYS 115           HZ3      LYS 115  -0.561   3.417 -20.641
  806    H    SER 116           H        SER 116   4.830   5.071 -14.234
  807    HA   SER 116           HA       SER 116   7.569   3.995 -14.708
  808    HB2  SER 116           HB2      SER 116   7.098   5.448 -16.655
  809    HB3  SER 116           HB3      SER 116   6.771   6.796 -15.555
  810    HG   SER 116           HG       SER 116   8.799   7.146 -15.449
  811    H    LEU 117           H        LEU 117   9.070   4.550 -13.078
  812    HA   LEU 117           HA       LEU 117   7.886   5.177 -10.576
  813    HB2  LEU 117           HB2      LEU 117  10.818   5.662 -11.003
  814    HB3  LEU 117           HB3      LEU 117   9.964   5.180  -9.559
  815    HG   LEU 117           HG       LEU 117  10.978   3.504 -11.848
  816   HD11  LEU 117          HD11      LEU 117  11.048   3.208  -8.824
  817   HD12  LEU 117          HD12      LEU 117  12.060   2.373 -10.026
  818   HD13  LEU 117          HD13      LEU 117  12.286   4.110  -9.756
  819   HD21  LEU 117          HD21      LEU 117   8.701   2.505 -11.426
  820   HD22  LEU 117          HD22      LEU 117  10.097   1.484 -10.976
  821   HD23  LEU 117          HD23      LEU 117   9.173   2.318  -9.703
  822    H    ASP 118           H        ASP 118   9.200   7.442 -12.940
  823    HA   ASP 118           HA       ASP 118   9.668   9.613 -11.153
  824    HB2  ASP 118           HB2      ASP 118   9.672  11.046 -13.081
  825    HB3  ASP 118           HB3      ASP 118  10.543   9.559 -13.437
  826    H    GLU 119           H        GLU 119   6.647   8.216 -12.114
  827    HA   GLU 119           HA       GLU 119   4.949  10.488 -11.458
  828    HB2  GLU 119           HB2      GLU 119   4.459   7.482 -11.327
  829    HB3  GLU 119           HB3      GLU 119   3.216   8.727 -11.159
  830    HG2  GLU 119           HG2      GLU 119   3.532   9.478 -13.436
  831    HG3  GLU 119           HG3      GLU 119   4.935   8.418 -13.657
  832    H    VAL 120           H        VAL 120   6.857   8.296  -9.517
  833    HA   VAL 120           HA       VAL 120   5.340   9.013  -7.035
  834    HB   VAL 120           HB       VAL 120   5.877   6.662  -6.245
  835   HG11  VAL 120          HG11      VAL 120   3.960   6.974  -8.564
  836   HG12  VAL 120          HG12      VAL 120   3.931   5.694  -7.333
  837   HG13  VAL 120          HG13      VAL 120   3.636   7.372  -6.862
  838   HG21  VAL 120          HG21      VAL 120   7.561   6.042  -7.981
  839   HG22  VAL 120          HG22      VAL 120   6.216   4.894  -7.859
  840   HG23  VAL 120          HG23      VAL 120   6.258   6.049  -9.197
  841    H    LYS 121           H        LYS 121   7.897  10.046  -8.276
  842    HA   LYS 121           HA       LYS 121  10.081   9.374  -6.560
  843    HB2  LYS 121           HB2      LYS 121  11.233  11.187  -7.722
  844    HB3  LYS 121           HB3      LYS 121  10.339  10.158  -8.830
  845    HG2  LYS 121           HG2      LYS 121   8.481  11.899  -8.831
  846    HG3  LYS 121           HG3      LYS 121   9.545  12.960  -7.905
  847    HD2  LYS 121           HD2      LYS 121  11.145  13.080  -9.737
  848    HD3  LYS 121           HD3      LYS 121  10.372  11.733 -10.567
  849    HE2  LYS 121           HE2      LYS 121   9.632  13.607 -11.771
  850    HE3  LYS 121           HE3      LYS 121   8.267  13.117 -10.772
  851    HZ1  LYS 121           HZ1      LYS 121  10.007  15.460 -10.468
  852    HZ2  LYS 121           HZ2      LYS 121   8.377  15.404 -10.511
  853    HZ3  LYS 121           HZ3      LYS 121   9.142  14.894  -9.165
  854    H    ASP 122           H        ASP 122   7.772  10.145  -5.036
  855    HA   ASP 122           HA       ASP 122   9.055  11.426  -2.853
  856    HB2  ASP 122           HB2      ASP 122   8.181  13.395  -4.489
  857    HB3  ASP 122           HB3      ASP 122   6.671  13.090  -3.656
  858    H    LYS 123           H        LYS 123   6.956   9.214  -3.949
  859    HA   LYS 123           HA       LYS 123   4.806   9.603  -1.913
  860    HB2  LYS 123           HB2      LYS 123   4.720   8.240  -4.639
  861    HB3  LYS 123           HB3      LYS 123   3.391   8.323  -3.486
  862    HG2  LYS 123           HG2      LYS 123   4.058  10.973  -3.620
  863    HG3  LYS 123           HG3      LYS 123   4.536  10.491  -5.233
  864    HD2  LYS 123           HD2      LYS 123   1.803   9.717  -4.165
  865    HD3  LYS 123           HD3      LYS 123   2.087  11.381  -4.623
  866    HE2  LYS 123           HE2      LYS 123   2.465   9.024  -6.515
  867    HE3  LYS 123           HE3      LYS 123   0.988   9.982  -6.363
  868    HZ1  LYS 123           HZ1      LYS 123   3.542  10.832  -7.498
  869    HZ2  LYS 123           HZ2      LYS 123   2.065  11.056  -8.075
  870    HZ3  LYS 123           HZ3      LYS 123   2.562  11.978  -6.809
  871    H    ALA 124           H        ALA 124   3.607   7.434  -1.424
  872    HA   ALA 124           HA       ALA 124   5.703   5.525  -0.439
  873    HB1  ALA 124           HB1      ALA 124   3.115   6.451   0.883
  874    HB2  ALA 124           HB2      ALA 124   4.281   5.293   1.559
  875    HB3  ALA 124           HB3      ALA 124   4.754   6.979   1.317
  876    H    LEU 125           H        LEU 125   5.259   3.390  -0.300
  877    HA   LEU 125           HA       LEU 125   2.904   2.162  -1.680
  878    HB2  LEU 125           HB2      LEU 125   5.273   0.885  -0.260
  879    HB3  LEU 125           HB3      LEU 125   4.110   0.070  -1.304
  880    HG   LEU 125           HG       LEU 125   6.212   2.096  -2.187
  881   HD11  LEU 125          HD11      LEU 125   6.091  -0.937  -2.337
  882   HD12  LEU 125          HD12      LEU 125   7.312   0.068  -3.134
  883   HD13  LEU 125          HD13      LEU 125   7.189   0.025  -1.360
  884   HD21  LEU 125          HD21      LEU 125   4.129   1.954  -3.663
  885   HD22  LEU 125          HD22      LEU 125   5.655   1.537  -4.460
  886   HD23  LEU 125          HD23      LEU 125   4.551   0.259  -3.951
  887    H    MET 126           H        MET 126   1.437   0.876  -0.404
  888    HA   MET 126           HA       MET 126   2.182   0.369   2.413
  889    HB2  MET 126           HB2      MET 126  -0.481   1.618   1.637
  890    HB3  MET 126           HB3      MET 126  -0.165   0.767   3.164
  891    HG2  MET 126           HG2      MET 126   1.724   2.323   3.605
  892    HG3  MET 126           HG3      MET 126   1.243   3.274   2.209
  893    HE1  MET 126           HE1      MET 126   1.329   5.350   3.780
  894    HE2  MET 126           HE2      MET 126   0.417   5.510   5.297
  895    HE3  MET 126           HE3      MET 126   1.737   4.335   5.164
  896    H    ILE 127           H        ILE 127   1.902  -1.623   2.967
  897    HA   ILE 127           HA       ILE 127   0.121  -3.509   1.427
  898    HB   ILE 127           HB       ILE 127   2.339  -4.022   3.465
  899   HG12  ILE 127          HG12      ILE 127   2.072  -4.741   0.508
  900   HG13  ILE 127          HG13      ILE 127   3.080  -3.454   1.143
  901   HG21  ILE 127          HG21      ILE 127   0.498  -6.026   2.067
  902   HG22  ILE 127          HG22      ILE 127   1.865  -6.437   3.126
  903   HG23  ILE 127          HG23      ILE 127   0.466  -5.631   3.800
  904   HD11  ILE 127          HD11      ILE 127   3.500  -6.430   1.589
  905   HD12  ILE 127          HD12      ILE 127   4.504  -5.310   0.664
  906   HD13  ILE 127          HD13      ILE 127   4.414  -5.147   2.429
  907    H    HIS 128           H        HIS 128  -1.641  -4.101   2.203
  908    HA   HIS 128           HA       HIS 128  -2.639  -2.977   4.768
  909    HB2  HIS 128           HB2      HIS 128  -3.551  -3.022   1.906
  910    HB3  HIS 128           HB3      HIS 128  -4.790  -3.079   3.077
  911    HD1  HIS 128           HD1      HIS 128  -1.897  -0.915   4.127
  912    HD2  HIS 128           HD2      HIS 128  -5.403  -0.698   1.873
  913    HE1  HIS 128           HE1      HIS 128  -2.276   1.592   3.652
  914    H    VAL 129           H        VAL 129  -3.977  -4.182   6.076
  915    HA   VAL 129           HA       VAL 129  -3.061  -6.847   6.246
  916    HB   VAL 129           HB       VAL 129  -5.216  -5.367   7.790
  917   HG11  VAL 129          HG11      VAL 129  -4.016  -8.101   8.433
  918   HG12  VAL 129          HG12      VAL 129  -4.956  -7.110   9.571
  919   HG13  VAL 129          HG13      VAL 129  -5.730  -7.740   8.118
  920   HG21  VAL 129          HG21      VAL 129  -2.827  -4.560   7.993
  921   HG22  VAL 129          HG22      VAL 129  -3.483  -5.175   9.514
  922   HG23  VAL 129          HG23      VAL 129  -2.370  -6.174   8.558
  923    H    GLY 130           H        GLY 130  -6.309  -5.689   5.317
  924    HA2  GLY 130           HA2      GLY 130  -7.360  -8.420   4.924
  925    HA3  GLY 130           HA3      GLY 130  -8.234  -6.887   4.719
  926    H    GLY 131           H        GLY 131  -8.472  -6.060   2.660
  927    HA2  GLY 131           HA2      GLY 131  -6.888  -6.859   0.380
  928    HA3  GLY 131           HA3      GLY 131  -8.351  -7.790   0.494
  929    H    ASP 132           H        ASP 132  -8.714  -6.659  -1.620
  930    HA   ASP 132           HA       ASP 132 -10.454  -4.383  -1.337
  931    HB2  ASP 132           HB2      ASP 132  -8.093  -3.413  -1.282
  932    HB3  ASP 132           HB3      ASP 132  -7.891  -3.973  -2.924
  933    H    ASN 133           H        ASN 133 -11.543  -3.960  -3.286
  934    HA   ASN 133           HA       ASN 133 -12.634  -4.796  -5.313
  935    HB2  ASN 133           HB2      ASN 133 -11.125  -6.685  -5.729
  936    HB3  ASN 133           HB3      ASN 133 -11.785  -7.548  -4.334
  937   HD21  ASN 133          HD21      ASN 133 -14.363  -6.033  -6.295
  938   HD22  ASN 133          HD22      ASN 133 -14.657  -7.516  -7.181
  939    H    MET 134           H        MET 134 -13.658  -3.587  -3.307
  940    HA   MET 134           HA       MET 134 -16.074  -4.904  -2.380
  941    HB2  MET 134           HB2      MET 134 -15.495  -5.019   0.014
  942    HB3  MET 134           HB3      MET 134 -14.537  -6.114  -0.953
  943    HG2  MET 134           HG2      MET 134 -12.647  -4.441  -0.922
  944    HG3  MET 134           HG3      MET 134 -13.629  -3.410   0.113
  945    HE1  MET 134           HE1      MET 134 -11.553  -6.638  -0.277
  946    HE2  MET 134           HE2      MET 134 -11.683  -7.426   1.309
  947    HE3  MET 134           HE3      MET 134 -13.075  -7.422   0.213
  948    H    SER 135           H        SER 135 -15.657  -2.444  -3.736
  949    HA   SER 135           HA       SER 135 -15.478  -0.259  -1.879
  950    HB2  SER 135           HB2      SER 135 -16.133   0.824  -4.354
  951    HB3  SER 135           HB3      SER 135 -14.530   0.498  -3.718
  952    HG   SER 135           HG       SER 135 -15.641  -0.569  -5.871
  953    H    ASP 136           H        ASP 136 -17.455  -1.252  -0.661
  954    HA   ASP 136           HA       ASP 136 -19.873   0.383  -1.394
  955    HB2  ASP 136           HB2      ASP 136 -20.234  -1.885  -2.183
  956    HB3  ASP 136           HB3      ASP 136 -19.759  -2.552  -0.617
  957    H    GLN 137           H        GLN 137 -18.313  -1.398   1.353
  958    HA   GLN 137           HA       GLN 137 -20.618  -0.739   2.944
  959    HB2  GLN 137           HB2      GLN 137 -19.820  -2.315   4.541
  960    HB3  GLN 137           HB3      GLN 137 -19.632  -2.978   2.937
  961    HG2  GLN 137           HG2      GLN 137 -17.407  -1.790   4.660
  962    HG3  GLN 137           HG3      GLN 137 -17.755  -3.506   4.479
  963   HE21  GLN 137          HE21      GLN 137 -18.039  -3.887   1.712
  964   HE22  GLN 137          HE22      GLN 137 -16.573  -3.295   0.924
  965    HA   PRO 138           HA       PRO 138 -19.336   2.773   5.155
  966    HB2  PRO 138           HB2      PRO 138 -20.784   2.687   7.491
  967    HB3  PRO 138           HB3      PRO 138 -21.507   2.937   5.874
  968    HG2  PRO 138           HG2      PRO 138 -21.237   0.326   7.403
  969    HG3  PRO 138           HG3      PRO 138 -22.708   1.018   6.642
  970    HD2  PRO 138           HD2      PRO 138 -21.229  -0.828   5.351
  971    HD3  PRO 138           HD3      PRO 138 -21.901   0.566   4.456
  972    H    LYS 139           H        LYS 139 -18.365  -0.232   6.532
  973    HA   LYS 139           HA       LYS 139 -16.165   1.247   7.932
  974    HB2  LYS 139           HB2      LYS 139 -17.103  -1.625   8.274
  975    HB3  LYS 139           HB3      LYS 139 -15.509  -1.044   8.782
  976    HG2  LYS 139           HG2      LYS 139 -16.644   0.747  10.138
  977    HG3  LYS 139           HG3      LYS 139 -18.196  -0.027   9.807
  978    HD2  LYS 139           HD2      LYS 139 -15.821  -1.357  11.200
  979    HD3  LYS 139           HD3      LYS 139 -17.185  -0.602  12.033
  980    HE2  LYS 139           HE2      LYS 139 -18.754  -2.195  11.007
  981    HE3  LYS 139           HE3      LYS 139 -17.437  -2.940  10.096
  982    HZ1  LYS 139           HZ1      LYS 139 -17.727  -2.987  13.059
  983    HZ2  LYS 139           HZ2      LYS 139 -17.896  -4.238  12.022
  984    HZ3  LYS 139           HZ3      LYS 139 -16.423  -3.574  12.231
  985    HA   PRO 140           HA       PRO 140 -15.373   0.201   3.552
  986    HB2  PRO 140           HB2      PRO 140 -13.618   2.214   2.870
  987    HB3  PRO 140           HB3      PRO 140 -15.396   2.403   2.958
  988    HG2  PRO 140           HG2      PRO 140 -13.352   3.043   5.115
  989    HG3  PRO 140           HG3      PRO 140 -14.672   4.093   4.495
  990    HD2  PRO 140           HD2      PRO 140 -15.038   2.676   6.742
  991    HD3  PRO 140           HD3      PRO 140 -16.337   2.744   5.506
  992    H    LEU 141           H        LEU 141 -13.780  -0.780   2.395
  993    HA   LEU 141           HA       LEU 141 -11.934  -2.048   1.939
  994    HB2  LEU 141           HB2      LEU 141 -10.461  -0.723   4.243
  995    HB3  LEU 141           HB3      LEU 141  -9.767  -1.656   2.929
  996    HG   LEU 141           HG       LEU 141 -11.150   1.049   2.592
  997   HD11  LEU 141          HD11      LEU 141  -8.183   0.371   2.597
  998   HD12  LEU 141          HD12      LEU 141  -8.903   1.953   2.221
  999   HD13  LEU 141          HD13      LEU 141  -9.061   1.286   3.847
 1000   HD21  LEU 141          HD21      LEU 141 -11.276  -0.299   0.536
 1001   HD22  LEU 141          HD22      LEU 141 -10.109   1.019   0.349
 1002   HD23  LEU 141          HD23      LEU 141  -9.533  -0.640   0.625
 1003    H    GLY 142           H        GLY 142 -14.132  -2.694   3.700
 1004    HA2  GLY 142           HA2      GLY 142 -14.889  -4.517   4.861
 1005    HA3  GLY 142           HA3      GLY 142 -13.346  -5.307   4.455
 1006    H    GLY 143           H        GLY 143 -13.033  -2.416   6.319
 1007    HA2  GLY 143           HA2      GLY 143 -12.339  -2.071   8.533
 1008    HA3  GLY 143           HA3      GLY 143 -12.793  -3.748   8.934
 1009    H    GLY 144           H        GLY 144 -10.934  -4.180   6.304
 1010    HA2  GLY 144           HA2      GLY 144  -8.491  -4.803   7.882
 1011    HA3  GLY 144           HA3      GLY 144  -9.004  -5.522   6.338
 1012    H    GLY 145           H        GLY 145  -9.443  -2.246   6.006
 1013    HA2  GLY 145           HA2      GLY 145  -7.205  -1.814   4.273
 1014    HA3  GLY 145           HA3      GLY 145  -8.314  -0.568   4.893
 1015    H    THR 146           H        THR 146  -6.916  -2.086   7.524
 1016    HA   THR 146           HA       THR 146  -5.104   0.064   8.211
 1017    HB   THR 146           HB       THR 146  -4.477  -1.601  10.065
 1018    HG1  THR 146           HG1      THR 146  -6.099  -3.309  10.207
 1019   HG21  THR 146          HG21      THR 146  -7.456  -0.972   9.763
 1020   HG22  THR 146          HG22      THR 146  -6.597  -1.327  11.273
 1021   HG23  THR 146          HG23      THR 146  -6.231   0.157  10.379
 1022    H    ARG 147           H        ARG 147  -2.888   0.020   8.188
 1023    HA   ARG 147           HA       ARG 147  -1.649  -1.631   6.139
 1024    HB2  ARG 147           HB2      ARG 147   0.246  -0.248   6.274
 1025    HB3  ARG 147           HB3      ARG 147  -1.167   0.786   6.315
 1026    HG2  ARG 147           HG2      ARG 147   0.664   0.091   8.656
 1027    HG3  ARG 147           HG3      ARG 147   0.558   1.623   7.781
 1028    HD2  ARG 147           HD2      ARG 147  -1.744   1.955   8.595
 1029    HD3  ARG 147           HD3      ARG 147  -1.653   0.437   9.492
 1030    HE   ARG 147           HE       ARG 147  -0.114   2.923  10.098
 1031   HH11  ARG 147          HH11      ARG 147  -0.913  -0.346  11.242
 1032   HH12  ARG 147          HH12      ARG 147  -1.080   0.211  12.898
 1033   HH21  ARG 147          HH21      ARG 147  -0.159   3.465  12.264
 1034   HH22  ARG 147          HH22      ARG 147  -0.611   2.223  13.454
 1035    H    TYR 148           H        TYR 148  -0.229  -3.258   6.341
 1036    HA   TYR 148           HA       TYR 148   0.780  -4.008   9.059
 1037    HB2  TYR 148           HB2      TYR 148  -0.194  -5.886   7.667
 1038    HB3  TYR 148           HB3      TYR 148   1.165  -5.761   6.552
 1039    HD1  TYR 148           HD1      TYR 148   0.315  -6.340  10.160
 1040    HD2  TYR 148           HD2      TYR 148   3.279  -6.683   7.041
 1041    HE1  TYR 148           HE1      TYR 148   1.759  -7.689  11.677
 1042    HE2  TYR 148           HE2      TYR 148   4.702  -8.039   8.551
 1043    HH   TYR 148           HH       TYR 148   3.822  -8.766  11.934
 1044    H    ALA 149           H        ALA 149   1.722  -2.626   5.933
 1045    HA   ALA 149           HA       ALA 149   4.123  -1.615   7.217
 1046    HB1  ALA 149           HB1      ALA 149   4.414  -3.421   4.768
 1047    HB2  ALA 149           HB2      ALA 149   5.719  -2.532   5.580
 1048    HB3  ALA 149           HB3      ALA 149   4.898  -3.854   6.422
 1049    H    CYS 150           H        CYS 150   5.165   0.097   6.094
 1050    HA   CYS 150           HA       CYS 150   3.984   0.987   3.543
 1051    HB2  CYS 150           HB2      CYS 150   3.610   3.076   4.175
 1052    HB3  CYS 150           HB3      CYS 150   3.519   2.452   5.811
 1053    H    GLY 151           H        GLY 151   5.592   2.397   2.336
 1054    HA2  GLY 151           HA2      GLY 151   8.368   2.410   3.148
 1055    HA3  GLY 151           HA3      GLY 151   8.123   1.312   1.805
 1056    H    VAL 152           H        VAL 152   9.427   4.085   2.164
 1057    HA   VAL 152           HA       VAL 152   7.909   5.820   0.335
 1058    HB   VAL 152           HB       VAL 152  10.627   6.290   1.628
 1059   HG11  VAL 152          HG11      VAL 152   8.711   8.211   0.217
 1060   HG12  VAL 152          HG12      VAL 152  10.164   8.695   1.121
 1061   HG13  VAL 152          HG13      VAL 152  10.326   7.732  -0.349
 1062   HG21  VAL 152          HG21      VAL 152   8.927   6.081   3.365
 1063   HG22  VAL 152          HG22      VAL 152   9.343   7.786   3.177
 1064   HG23  VAL 152          HG23      VAL 152   7.832   7.160   2.479
 1065    H    ILE 153           H        ILE 153   8.356   6.224  -1.786
 1066    HA   ILE 153           HA       ILE 153  10.114   4.261  -3.121
 1067    HB   ILE 153           HB       ILE 153   8.069   6.203  -4.248
 1068   HG12  ILE 153          HG12      ILE 153   7.591   3.217  -3.952
 1069   HG13  ILE 153          HG13      ILE 153   7.223   4.288  -2.618
 1070   HG21  ILE 153          HG21      ILE 153   9.532   3.821  -5.484
 1071   HG22  ILE 153          HG22      ILE 153   8.114   4.575  -6.220
 1072   HG23  ILE 153          HG23      ILE 153   9.584   5.522  -6.011
 1073   HD11  ILE 153          HD11      ILE 153   5.974   4.376  -5.377
 1074   HD12  ILE 153          HD12      ILE 153   5.199   4.017  -3.826
 1075   HD13  ILE 153          HD13      ILE 153   5.760   5.653  -4.153
 1076    H    LYS 154           H        LYS 154  11.818   4.721  -4.465
 1077    HA   LYS 154           HA       LYS 154  12.733   7.558  -4.718
 1078    HB2  LYS 154           HB2      LYS 154  14.321   5.160  -3.694
 1079    HB3  LYS 154           HB3      LYS 154  15.036   6.717  -4.096
 1080    HG2  LYS 154           HG2      LYS 154  12.907   6.327  -1.935
 1081    HG3  LYS 154           HG3      LYS 154  14.639   6.332  -1.645
 1082    HD2  LYS 154           HD2      LYS 154  14.874   8.617  -2.338
 1083    HD3  LYS 154           HD3      LYS 154  13.206   8.697  -2.933
 1084    HE2  LYS 154           HE2      LYS 154  12.275   8.529  -0.761
 1085    HE3  LYS 154           HE3      LYS 154  13.835   8.096  -0.025
 1086    HZ1  LYS 154           HZ1      LYS 154  13.477  10.683  -1.409
 1087    HZ2  LYS 154           HZ2      LYS 154  13.108  10.544   0.176
 1088    HZ3  LYS 154           HZ3      LYS 154  14.632  10.263  -0.332
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1  11.708  -0.749 -15.226
    2    H2   ALA   1           H2       ALA   1  12.416  -0.116 -16.578
    3    H3   ALA   1           H3       ALA   1  11.326   0.761 -15.773
    4    HA   ALA   1           HA       ALA   1  14.010   0.014 -14.854
    5    HB1  ALA   1           HB1      ALA   1  12.775   2.779 -15.212
    6    HB2  ALA   1           HB2      ALA   1  14.446   2.413 -14.747
    7    HB3  ALA   1           HB3      ALA   1  13.870   1.998 -16.374
    8    H    SER   2           H        SER   2  14.554   1.160 -12.588
    9    HA   SER   2           HA       SER   2  12.417  -0.228 -11.032
   10    HB2  SER   2           HB2      SER   2  15.366  -0.874 -10.943
   11    HB3  SER   2           HB3      SER   2  14.006  -1.821 -10.311
   12    HG   SER   2           HG       SER   2  14.720  -2.717 -12.257
   13    H    GLU   3           H        GLU   3  12.343  -0.134  -8.856
   14    HA   GLU   3           HA       GLU   3  14.340   1.291  -7.278
   15    HB2  GLU   3           HB2      GLU   3  13.041   3.182  -8.076
   16    HB3  GLU   3           HB3      GLU   3  11.518   2.374  -7.640
   17    HG2  GLU   3           HG2      GLU   3  12.111   4.141  -6.055
   18    HG3  GLU   3           HG3      GLU   3  12.036   2.542  -5.294
   19    H    LYS   4           H        LYS   4  14.519   0.196  -5.367
   20    HA   LYS   4           HA       LYS   4  12.513  -1.879  -4.771
   21    HB2  LYS   4           HB2      LYS   4  14.693  -2.614  -5.671
   22    HB3  LYS   4           HB3      LYS   4  15.548  -1.705  -4.410
   23    HG2  LYS   4           HG2      LYS   4  14.607  -3.058  -2.692
   24    HG3  LYS   4           HG3      LYS   4  13.531  -3.882  -3.845
   25    HD2  LYS   4           HD2      LYS   4  15.572  -4.791  -5.021
   26    HD3  LYS   4           HD3      LYS   4  16.583  -4.067  -3.750
   27    HE2  LYS   4           HE2      LYS   4  15.372  -5.430  -2.042
   28    HE3  LYS   4           HE3      LYS   4  14.363  -6.121  -3.310
   29    HZ1  LYS   4           HZ1      LYS   4  17.281  -6.500  -3.007
   30    HZ2  LYS   4           HZ2      LYS   4  16.102  -7.642  -2.836
   31    HZ3  LYS   4           HZ3      LYS   4  16.455  -7.000  -4.317
   32    H    VAL   5           H        VAL   5  11.278  -1.392  -3.047
   33    HA   VAL   5           HA       VAL   5  12.277   0.742  -1.227
   34    HB   VAL   5           HB       VAL   5   9.466  -0.123  -1.975
   35   HG11  VAL   5          HG11      VAL   5  10.430   1.949   0.045
   36   HG12  VAL   5          HG12      VAL   5   8.784   1.908  -0.619
   37   HG13  VAL   5          HG13      VAL   5   9.377   0.550   0.340
   38   HG21  VAL   5          HG21      VAL   5  10.580   1.178  -3.730
   39   HG22  VAL   5          HG22      VAL   5   9.384   2.202  -2.940
   40   HG23  VAL   5          HG23      VAL   5  11.099   2.400  -2.546
   41    H    GLY   6           H        GLY   6  12.720   0.366   0.768
   42    HA2  GLY   6           HA2      GLY   6  12.451  -2.200   2.091
   43    HA3  GLY   6           HA3      GLY   6  13.026  -0.670   2.808
   44    H    MET   7           H        MET   7  10.621  -2.922   2.786
   45    HA   MET   7           HA       MET   7   8.406  -1.164   3.746
   46    HB2  MET   7           HB2      MET   7   8.705  -3.970   2.684
   47    HB3  MET   7           HB3      MET   7   7.300  -3.587   3.707
   48    HG2  MET   7           HG2      MET   7   8.044  -1.818   1.359
   49    HG3  MET   7           HG3      MET   7   7.089  -3.299   1.140
   50    HE1  MET   7           HE1      MET   7   5.186  -2.089   0.040
   51    HE2  MET   7           HE2      MET   7   4.386  -0.648   0.704
   52    HE3  MET   7           HE3      MET   7   6.081  -0.552   0.184
   53    H    ASN   8           H        ASN   8   8.403  -0.715   5.842
   54    HA   ASN   8           HA       ASN   8   9.610  -2.619   7.797
   55    HB2  ASN   8           HB2      ASN   8  10.298  -0.143   7.498
   56    HB3  ASN   8           HB3      ASN   8   8.795   0.248   8.357
   57   HD21  ASN   8          HD21      ASN   8  12.058  -0.908   8.608
   58   HD22  ASN   8          HD22      ASN   8  12.037  -1.309  10.325
   59    H    LEU   9           H        LEU   9   8.503  -3.187   9.762
   60    HA   LEU   9           HA       LEU   9   5.638  -3.512   9.429
   61    HB2  LEU   9           HB2      LEU   9   7.495  -4.270  11.724
   62    HB3  LEU   9           HB3      LEU   9   5.816  -4.765  11.573
   63    HG   LEU   9           HG       LEU   9   8.068  -5.583   9.685
   64   HD11  LEU   9          HD11      LEU   9   6.527  -7.099  11.839
   65   HD12  LEU   9          HD12      LEU   9   7.651  -7.838  10.686
   66   HD13  LEU   9          HD13      LEU   9   8.252  -6.657  11.861
   67   HD21  LEU   9          HD21      LEU   9   6.044  -5.514   8.391
   68   HD22  LEU   9          HD22      LEU   9   6.328  -7.200   8.812
   69   HD23  LEU   9          HD23      LEU   9   5.104  -6.279   9.701
   70    H    VAL  10           H        VAL  10   5.546  -1.016   9.358
   71    HA   VAL  10           HA       VAL  10   5.587   0.415  11.833
   72    HB   VAL  10           HB       VAL  10   4.779   2.311  10.708
   73   HG11  VAL  10          HG11      VAL  10   6.167   0.865   8.431
   74   HG12  VAL  10          HG12      VAL  10   6.287   2.565   8.905
   75   HG13  VAL  10          HG13      VAL  10   7.034   1.308   9.904
   76   HG21  VAL  10          HG21      VAL  10   2.733   1.524   9.660
   77   HG22  VAL  10          HG22      VAL  10   3.737   2.317   8.471
   78   HG23  VAL  10          HG23      VAL  10   3.656   0.531   8.507
   79    H    THR  11           H        THR  11   3.989   1.164  13.197
   80    HA   THR  11           HA       THR  11   1.308   1.440  12.544
   81    HB   THR  11           HB       THR  11   1.063  -1.026  12.670
   82    HG1  THR  11           HG1      THR  11  -0.502  -0.674  14.595
   83   HG21  THR  11          HG21      THR  11   1.551  -0.767  15.662
   84   HG22  THR  11          HG22      THR  11   1.114  -2.221  14.744
   85   HG23  THR  11          HG23      THR  11   2.704  -1.481  14.517
   86    H    ALA  12           H        ALA  12   0.416   2.848  13.825
   87    HA   ALA  12           HA       ALA  12  -0.177   4.252  15.478
   88    HB1  ALA  12           HB1      ALA  12   0.692   1.932  17.245
   89    HB2  ALA  12           HB2      ALA  12  -0.458   3.222  17.659
   90    HB3  ALA  12           HB3      ALA  12  -0.857   2.066  16.378
   91    H    GLN  13           H        GLN  13   3.046   2.992  16.399
   92    HA   GLN  13           HA       GLN  13   3.772   5.708  17.459
   93    HB2  GLN  13           HB2      GLN  13   4.465   2.878  18.235
   94    HB3  GLN  13           HB3      GLN  13   5.779   4.039  18.216
   95    HG2  GLN  13           HG2      GLN  13   5.156   4.139  20.389
   96    HG3  GLN  13           HG3      GLN  13   4.369   5.573  19.689
   97   HE21  GLN  13          HE21      GLN  13   1.985   5.087  18.871
   98   HE22  GLN  13          HE22      GLN  13   1.161   3.802  19.757
   99    H    GLY  14           H        GLY  14   3.700   4.312  14.597
  100    HA2  GLY  14           HA2      GLY  14   4.767   5.053  12.636
  101    HA3  GLY  14           HA3      GLY  14   6.125   5.685  13.612
  102    H    VAL  15           H        VAL  15   7.844   4.654  12.966
  103    HA   VAL  15           HA       VAL  15   7.921   2.173  11.592
  104    HB   VAL  15           HB       VAL  15  10.214   3.740  12.841
  105   HG11  VAL  15          HG11      VAL  15  10.238   1.687  10.585
  106   HG12  VAL  15          HG12      VAL  15  11.630   2.623  11.147
  107   HG13  VAL  15          HG13      VAL  15  10.906   1.417  12.214
  108   HG21  VAL  15          HG21      VAL  15   8.996   5.159  11.282
  109   HG22  VAL  15          HG22      VAL  15  10.494   4.634  10.512
  110   HG23  VAL  15          HG23      VAL  15   8.962   3.863  10.065
  111    H    GLY  16           H        GLY  16   8.376   0.131  12.184
  112    HA2  GLY  16           HA2      GLY  16   8.445  -0.505  15.121
  113    HA3  GLY  16           HA3      GLY  16   7.736  -1.516  13.833
  114    H    GLN  17           H        GLN  17   9.184  -2.502  12.286
  115    HA   GLN  17           HA       GLN  17  11.988  -2.569  12.607
  116    HB2  GLN  17           HB2      GLN  17  12.363  -4.813  13.452
  117    HB3  GLN  17           HB3      GLN  17  11.597  -3.813  14.659
  118    HG2  GLN  17           HG2      GLN  17   9.949  -5.302  14.925
  119    HG3  GLN  17           HG3      GLN  17   9.477  -5.155  13.218
  120   HE21  GLN  17          HE21      GLN  17  10.964  -6.473  11.631
  121   HE22  GLN  17          HE22      GLN  17  11.544  -8.015  12.267
  122    H    SER  18           H        SER  18  13.031  -4.127  11.143
  123    HA   SER  18           HA       SER  18  11.429  -4.212   8.644
  124    HB2  SER  18           HB2      SER  18  13.381  -2.856   8.602
  125    HB3  SER  18           HB3      SER  18  14.376  -4.144   9.301
  126    HG   SER  18           HG       SER  18  14.751  -4.035   7.107
  127    H    ILE  19           H        ILE  19  11.289  -5.958   7.258
  128    HA   ILE  19           HA       ILE  19  12.441  -8.597   8.028
  129    HB   ILE  19           HB       ILE  19  10.306  -9.747   7.752
  130   HG12  ILE  19          HG12      ILE  19   8.774  -7.137   7.938
  131   HG13  ILE  19          HG13      ILE  19   9.295  -7.741   6.356
  132   HG21  ILE  19          HG21      ILE  19  10.044  -7.668   9.930
  133   HG22  ILE  19          HG22      ILE  19   9.334  -9.294   9.887
  134   HG23  ILE  19          HG23      ILE  19  11.088  -9.106  10.009
  135   HD11  ILE  19          HD11      ILE  19   7.521  -9.247   8.298
  136   HD12  ILE  19          HD12      ILE  19   7.054  -8.496   6.759
  137   HD13  ILE  19          HD13      ILE  19   8.154  -9.888   6.758
  138    H    GLY  20           H        GLY  20  12.201  -6.455   5.551
  139    HA2  GLY  20           HA2      GLY  20  12.865  -8.072   3.403
  140    HA3  GLY  20           HA3      GLY  20  11.111  -8.161   3.471
  141    H    THR  21           H        THR  21  11.911  -7.234   1.213
  142    HA   THR  21           HA       THR  21  11.120  -4.364   1.280
  143    HB   THR  21           HB       THR  21  12.671  -3.573  -0.179
  144    HG1  THR  21           HG1      THR  21  13.414  -6.200  -0.898
  145   HG21  THR  21          HG21      THR  21  14.423  -5.653   1.163
  146   HG22  THR  21          HG22      THR  21  14.907  -4.093   0.472
  147   HG23  THR  21          HG23      THR  21  13.887  -4.134   1.918
  148    H    VAL  22           H        VAL  22  10.521  -3.757  -1.059
  149    HA   VAL  22           HA       VAL  22   9.543  -6.071  -2.624
  150    HB   VAL  22           HB       VAL  22   7.857  -3.538  -2.322
  151   HG11  VAL  22          HG11      VAL  22   7.555  -6.135  -3.879
  152   HG12  VAL  22          HG12      VAL  22   6.222  -5.071  -3.602
  153   HG13  VAL  22          HG13      VAL  22   7.609  -4.490  -4.542
  154   HG21  VAL  22          HG21      VAL  22   7.657  -4.929  -0.273
  155   HG22  VAL  22          HG22      VAL  22   6.169  -4.970  -1.226
  156   HG23  VAL  22          HG23      VAL  22   7.294  -6.344  -1.274
  157    H    VAL  23           H        VAL  23  10.127  -5.909  -4.725
  158    HA   VAL  23           HA       VAL  23  11.555  -3.425  -5.530
  159    HB   VAL  23           HB       VAL  23  12.767  -5.461  -5.793
  160   HG11  VAL  23          HG11      VAL  23  10.737  -6.437  -7.727
  161   HG12  VAL  23          HG12      VAL  23  12.399  -7.051  -7.601
  162   HG13  VAL  23          HG13      VAL  23  11.356  -7.181  -6.201
  163   HG21  VAL  23          HG21      VAL  23  13.148  -3.465  -7.291
  164   HG22  VAL  23          HG22      VAL  23  13.652  -5.001  -8.017
  165   HG23  VAL  23          HG23      VAL  23  12.123  -4.246  -8.513
  166    H    ILE  24           H        ILE  24  10.736  -1.951  -6.871
  167    HA   ILE  24           HA       ILE  24   8.320  -2.641  -8.485
  168    HB   ILE  24           HB       ILE  24   9.331   0.103  -7.617
  169   HG12  ILE  24          HG12      ILE  24   7.411  -1.819  -6.397
  170   HG13  ILE  24          HG13      ILE  24   8.260  -0.552  -5.622
  171   HG21  ILE  24          HG21      ILE  24   6.898  -0.756  -9.238
  172   HG22  ILE  24          HG22      ILE  24   7.253   0.914  -8.724
  173   HG23  ILE  24          HG23      ILE  24   8.312   0.128  -9.862
  174   HD11  ILE  24          HD11      ILE  24   5.701  -0.167  -7.156
  175   HD12  ILE  24          HD12      ILE  24   6.014  -0.051  -5.423
  176   HD13  ILE  24          HD13      ILE  24   6.720   1.153  -6.492
  177    H    ASP  25           H        ASP  25   8.524  -2.668 -10.635
  178    HA   ASP  25           HA       ASP  25  10.745  -1.233 -11.959
  179    HB2  ASP  25           HB2      ASP  25  11.597  -3.390 -11.695
  180    HB3  ASP  25           HB3      ASP  25  10.086  -4.166 -12.229
  181    H    GLU  26           H        GLU  26   9.831   0.128 -13.313
  182    HA   GLU  26           HA       GLU  26   7.090  -0.234 -14.290
  183    HB2  GLU  26           HB2      GLU  26   7.205   1.941 -15.238
  184    HB3  GLU  26           HB3      GLU  26   7.841   1.963 -13.588
  185    HG2  GLU  26           HG2      GLU  26   9.213   3.421 -14.828
  186    HG3  GLU  26           HG3      GLU  26  10.158   2.006 -14.497
  187    H    THR  27           H        THR  27   6.426  -0.182 -16.478
  188    HA   THR  27           HA       THR  27   8.084  -0.801 -18.698
  189    HB   THR  27           HB       THR  27   8.504  -2.901 -17.589
  190    HG1  THR  27           HG1      THR  27   7.075  -4.253 -19.151
  191   HG21  THR  27          HG21      THR  27   5.492  -3.251 -17.345
  192   HG22  THR  27          HG22      THR  27   6.690  -4.552 -17.103
  193   HG23  THR  27          HG23      THR  27   6.698  -3.163 -16.041
  194    H    GLU  28           H        GLU  28   6.429  -1.955 -20.401
  195    HA   GLU  28           HA       GLU  28   4.539   0.018 -21.145
  196    HB2  GLU  28           HB2      GLU  28   5.500  -1.525 -22.719
  197    HB3  GLU  28           HB3      GLU  28   4.829  -2.922 -21.848
  198    HG2  GLU  28           HG2      GLU  28   2.538  -2.237 -22.506
  199    HG3  GLU  28           HG3      GLU  28   3.178  -0.774 -23.266
  200    H    GLY  29           H        GLY  29   4.063  -2.961 -19.326
  201    HA2  GLY  29           HA2      GLY  29   1.205  -2.391 -18.830
  202    HA3  GLY  29           HA3      GLY  29   2.089  -3.873 -18.331
  203    H    GLY  30           H        GLY  30   3.588  -0.905 -17.690
  204    HA2  GLY  30           HA2      GLY  30   3.836   0.523 -15.930
  205    HA3  GLY  30           HA3      GLY  30   2.306  -0.080 -15.267
  206    H    LEU  31           H        LEU  31   3.061   0.064 -13.157
  207    HA   LEU  31           HA       LEU  31   5.651  -0.783 -12.341
  208    HB2  LEU  31           HB2      LEU  31   3.170  -0.395 -10.615
  209    HB3  LEU  31           HB3      LEU  31   4.844  -0.465 -10.033
  210    HG   LEU  31           HG       LEU  31   3.560   1.619 -11.774
  211   HD11  LEU  31          HD11      LEU  31   4.810   1.836  -8.991
  212   HD12  LEU  31          HD12      LEU  31   4.081   3.176  -9.901
  213   HD13  LEU  31          HD13      LEU  31   3.068   1.845  -9.347
  214   HD21  LEU  31          HD21      LEU  31   5.790   1.448 -12.642
  215   HD22  LEU  31          HD22      LEU  31   5.726   2.897 -11.640
  216   HD23  LEU  31          HD23      LEU  31   6.493   1.428 -11.008
  217    H    LYS  32           H        LYS  32   6.337  -2.755 -12.676
  218    HA   LYS  32           HA       LYS  32   4.939  -5.173 -11.844
  219    HB2  LYS  32           HB2      LYS  32   6.594  -4.870 -13.788
  220    HB3  LYS  32           HB3      LYS  32   7.857  -4.777 -12.565
  221    HG2  LYS  32           HG2      LYS  32   6.849  -7.100 -11.745
  222    HG3  LYS  32           HG3      LYS  32   6.105  -7.087 -13.363
  223    HD2  LYS  32           HD2      LYS  32   8.125  -8.263 -13.624
  224    HD3  LYS  32           HD3      LYS  32   8.406  -6.648 -14.308
  225    HE2  LYS  32           HE2      LYS  32   9.335  -6.101 -11.885
  226    HE3  LYS  32           HE3      LYS  32   9.418  -7.869 -11.714
  227    HZ1  LYS  32           HZ1      LYS  32  10.842  -6.133 -13.690
  228    HZ2  LYS  32           HZ2      LYS  32  11.537  -7.068 -12.550
  229    HZ3  LYS  32           HZ3      LYS  32  10.814  -7.775 -13.832
  230    H    PHE  33           H        PHE  33   4.718  -5.587  -9.796
  231    HA   PHE  33           HA       PHE  33   6.492  -4.601  -7.644
  232    HB2  PHE  33           HB2      PHE  33   3.907  -4.242  -7.996
  233    HB3  PHE  33           HB3      PHE  33   3.750  -5.907  -7.431
  234    HD1  PHE  33           HD1      PHE  33   5.574  -2.799  -6.559
  235    HD2  PHE  33           HD2      PHE  33   3.108  -6.001  -5.164
  236    HE1  PHE  33           HE1      PHE  33   5.626  -1.810  -4.232
  237    HE2  PHE  33           HE2      PHE  33   3.021  -4.946  -2.907
  238    HZ   PHE  33           HZ       PHE  33   4.318  -2.891  -2.427
  239    H    THR  34           H        THR  34   8.086  -6.193  -6.989
  240    HA   THR  34           HA       THR  34   7.100  -9.029  -6.837
  241    HB   THR  34           HB       THR  34   9.997  -8.384  -7.280
  242    HG1  THR  34           HG1      THR  34   8.769  -7.635  -9.015
  243   HG21  THR  34          HG21      THR  34   8.286 -10.881  -7.599
  244   HG22  THR  34          HG22      THR  34   9.992 -10.734  -8.072
  245   HG23  THR  34          HG23      THR  34   9.530 -10.592  -6.367
  246    HA   PRO  35           HA       PRO  35   8.145  -7.867  -2.590
  247    HB2  PRO  35           HB2      PRO  35   6.557  -9.621  -1.266
  248    HB3  PRO  35           HB3      PRO  35   5.875  -8.253  -2.199
  249    HG2  PRO  35           HG2      PRO  35   6.253 -11.136  -3.100
  250    HG3  PRO  35           HG3      PRO  35   4.747 -10.172  -3.187
  251    HD2  PRO  35           HD2      PRO  35   6.450 -10.440  -5.287
  252    HD3  PRO  35           HD3      PRO  35   5.572  -8.905  -4.988
  253    H    HIS  36           H        HIS  36   9.364  -8.761  -0.837
  254    HA   HIS  36           HA       HIS  36   9.948 -11.613  -0.882
  255    HB2  HIS  36           HB2      HIS  36  12.177 -11.650  -1.420
  256    HB3  HIS  36           HB3      HIS  36  11.525 -10.500  -2.564
  257    HD1  HIS  36           HD1      HIS  36  14.403 -10.888  -0.475
  258    HD2  HIS  36           HD2      HIS  36  11.920  -7.753  -1.716
  259    HE1  HIS  36           HE1      HIS  36  15.770  -8.760  -0.074
  260    H    LEU  37           H        LEU  37   8.517 -11.024   0.983
  261    HA   LEU  37           HA       LEU  37  10.086 -10.369   3.453
  262    HB2  LEU  37           HB2      LEU  37   7.128  -9.879   3.074
  263    HB3  LEU  37           HB3      LEU  37   8.210  -9.318   4.364
  264    HG   LEU  37           HG       LEU  37   9.359  -8.163   2.100
  265   HD11  LEU  37          HD11      LEU  37   6.322  -8.061   1.762
  266   HD12  LEU  37          HD12      LEU  37   7.523  -7.139   0.840
  267   HD13  LEU  37          HD13      LEU  37   7.456  -8.901   0.681
  268   HD21  LEU  37          HD21      LEU  37   9.006  -7.048   4.199
  269   HD22  LEU  37          HD22      LEU  37   8.285  -6.098   2.892
  270   HD23  LEU  37          HD23      LEU  37   7.237  -7.061   3.964
  271    H    LYS  38           H        LYS  38   9.452 -11.568   5.402
  272    HA   LYS  38           HA       LYS  38   8.153 -14.206   4.851
  273    HB2  LYS  38           HB2      LYS  38  10.207 -15.356   5.529
  274    HB3  LYS  38           HB3      LYS  38  10.423 -14.393   4.096
  275    HG2  LYS  38           HG2      LYS  38  11.086 -12.728   6.400
  276    HG3  LYS  38           HG3      LYS  38  11.837 -14.317   6.622
  277    HD2  LYS  38           HD2      LYS  38  13.353 -12.789   5.456
  278    HD3  LYS  38           HD3      LYS  38  12.899 -14.128   4.384
  279    HE2  LYS  38           HE2      LYS  38  11.155 -12.665   3.311
  280    HE3  LYS  38           HE3      LYS  38  11.565 -11.375   4.416
  281    HZ1  LYS  38           HZ1      LYS  38  13.319 -12.518   2.320
  282    HZ2  LYS  38           HZ2      LYS  38  12.749 -10.993   2.402
  283    HZ3  LYS  38           HZ3      LYS  38  13.915 -11.513   3.472
  284    H    ALA  39           H        ALA  39   7.075 -12.341   6.697
  285    HA   ALA  39           HA       ALA  39   6.923 -14.188   8.983
  286    HB1  ALA  39           HB1      ALA  39   7.688 -11.258   9.410
  287    HB2  ALA  39           HB2      ALA  39   7.431 -12.473  10.677
  288    HB3  ALA  39           HB3      ALA  39   8.805 -12.632   9.572
  289    H    LEU  40           H        LEU  40   5.092 -13.093   6.845
  290    HA   LEU  40           HA       LEU  40   3.243 -11.406   8.438
  291    HB2  LEU  40           HB2      LEU  40   2.033 -11.898   5.884
  292    HB3  LEU  40           HB3      LEU  40   2.593 -10.457   6.619
  293    HG   LEU  40           HG       LEU  40   4.258 -12.462   4.975
  294   HD11  LEU  40          HD11      LEU  40   3.235  -9.797   3.919
  295   HD12  LEU  40          HD12      LEU  40   4.257 -10.994   3.083
  296   HD13  LEU  40          HD13      LEU  40   2.568 -11.383   3.521
  297   HD21  LEU  40          HD21      LEU  40   5.668 -10.791   6.333
  298   HD22  LEU  40          HD22      LEU  40   5.895 -10.933   4.576
  299   HD23  LEU  40          HD23      LEU  40   4.977  -9.549   5.254
  300    HA   PRO  41           HA       PRO  41   0.335 -14.541   8.793
  301    HB2  PRO  41           HB2      PRO  41  -2.147 -13.264   8.355
  302    HB3  PRO  41           HB3      PRO  41  -1.250 -13.258   9.900
  303    HG2  PRO  41           HG2      PRO  41  -1.173 -11.241   7.693
  304    HG3  PRO  41           HG3      PRO  41  -1.372 -10.944   9.451
  305    HD2  PRO  41           HD2      PRO  41   1.070 -10.687   8.354
  306    HD3  PRO  41           HD3      PRO  41   0.820 -11.588   9.897
  307    HA   PRO  42           HA       PRO  42   0.990 -15.658   4.817
  308    HB2  PRO  42           HB2      PRO  42   0.523 -18.296   4.844
  309    HB3  PRO  42           HB3      PRO  42   1.405 -17.537   6.197
  310    HG2  PRO  42           HG2      PRO  42  -1.599 -17.997   6.084
  311    HG3  PRO  42           HG3      PRO  42  -0.456 -18.730   7.245
  312    HD2  PRO  42           HD2      PRO  42  -1.661 -16.374   7.858
  313    HD3  PRO  42           HD3      PRO  42   0.080 -16.617   8.220
  314    H    GLY  43           H        GLY  43  -1.745 -14.488   4.953
  315    HA2  GLY  43           HA2      GLY  43  -2.988 -15.732   2.607
  316    HA3  GLY  43           HA3      GLY  43  -3.971 -14.996   3.911
  317    H    GLU  44           H        GLU  44  -3.907 -14.327   1.232
  318    HA   GLU  44           HA       GLU  44  -2.442 -12.293   0.166
  319    HB2  GLU  44           HB2      GLU  44  -5.441 -12.670  -0.039
  320    HB3  GLU  44           HB3      GLU  44  -4.488 -11.701  -1.157
  321    HG2  GLU  44           HG2      GLU  44  -3.433 -13.546  -2.127
  322    HG3  GLU  44           HG3      GLU  44  -3.732 -14.610  -0.740
  323    H    HIS  45           H        HIS  45  -2.234 -10.146   0.200
  324    HA   HIS  45           HA       HIS  45  -3.662  -8.543   2.299
  325    HB2  HIS  45           HB2      HIS  45  -0.675  -8.852   1.635
  326    HB3  HIS  45           HB3      HIS  45  -1.289  -7.357   2.320
  327    HD1  HIS  45           HD1      HIS  45  -3.190  -8.396   4.575
  328    HD2  HIS  45           HD2      HIS  45  -0.001 -10.623   3.119
  329    HE1  HIS  45           HE1      HIS  45  -2.889 -10.343   6.190
  330    HE2  HIS  45           HE2      HIS  45  -0.910 -11.720   5.278
  331    H    GLY  46           H        GLY  46  -4.656  -6.763   1.455
  332    HA2  GLY  46           HA2      GLY  46  -4.478  -5.657  -0.995
  333    HA3  GLY  46           HA3      GLY  46  -4.793  -4.689   0.448
  334    H    PHE  47           H        PHE  47  -3.505  -3.641  -1.796
  335    HA   PHE  47           HA       PHE  47  -0.805  -2.845  -0.790
  336    HB2  PHE  47           HB2      PHE  47  -0.179  -4.615  -2.184
  337    HB3  PHE  47           HB3      PHE  47  -1.461  -4.256  -3.347
  338    HD1  PHE  47           HD1      PHE  47   1.093  -1.748  -2.135
  339    HD2  PHE  47           HD2      PHE  47  -0.114  -4.449  -5.257
  340    HE1  PHE  47           HE1      PHE  47   2.736  -0.700  -3.733
  341    HE2  PHE  47           HE2      PHE  47   1.428  -3.311  -6.854
  342    HZ   PHE  47           HZ       PHE  47   2.775  -1.388  -6.106
  343    H    HIS  48           H        HIS  48  -1.355  -0.554  -0.611
  344    HA   HIS  48           HA       HIS  48  -2.168   0.624  -3.297
  345    HB2  HIS  48           HB2      HIS  48  -2.557   2.143  -0.687
  346    HB3  HIS  48           HB3      HIS  48  -3.288   2.463  -2.246
  347    HD2  HIS  48           HD2      HIS  48  -4.715  -0.408  -2.698
  348    HE1  HIS  48           HE1      HIS  48  -6.428   0.078   1.145
  349    HE2  HIS  48           HE2      HIS  48  -6.480  -1.222  -1.065
  350    H    ILE  49           H        ILE  49  -1.612   2.805  -3.739
  351    HA   ILE  49           HA       ILE  49   0.778   3.994  -2.365
  352    HB   ILE  49           HB       ILE  49  -0.433   4.456  -5.110
  353   HG12  ILE  49          HG12      ILE  49   2.404   3.830  -4.169
  354   HG13  ILE  49          HG13      ILE  49   1.243   2.618  -4.758
  355   HG21  ILE  49          HG21      ILE  49   1.616   6.232  -3.701
  356   HG22  ILE  49          HG22      ILE  49   1.162   6.343  -5.415
  357   HG23  ILE  49          HG23      ILE  49  -0.030   6.705  -4.184
  358   HD11  ILE  49          HD11      ILE  49   2.569   4.813  -6.358
  359   HD12  ILE  49          HD12      ILE  49   2.717   3.063  -6.552
  360   HD13  ILE  49          HD13      ILE  49   1.186   3.860  -6.964
  361    H    HIS  50           H        HIS  50   0.536   5.773  -1.185
  362    HA   HIS  50           HA       HIS  50  -2.203   6.970  -0.839
  363    HB2  HIS  50           HB2      HIS  50   0.106   6.486   1.065
  364    HB3  HIS  50           HB3      HIS  50  -1.070   7.755   1.369
  365    HD1  HIS  50           HD1      HIS  50  -2.248   6.745   3.380
  366    HD2  HIS  50           HD2      HIS  50  -2.182   4.288  -0.004
  367    HE1  HIS  50           HE1      HIS  50  -3.769   4.733   3.941
  368    H    ALA  51           H        ALA  51  -1.926   9.324   0.105
  369    HA   ALA  51           HA       ALA  51  -1.135  10.750  -2.227
  370    HB1  ALA  51           HB1      ALA  51  -2.164  11.783   0.450
  371    HB2  ALA  51           HB2      ALA  51  -2.193  12.657  -1.092
  372    HB3  ALA  51           HB3      ALA  51  -3.179  11.195  -0.885
  373    H    ASN  52           H        ASN  52   0.580  10.531   0.835
  374    HA   ASN  52           HA       ASN  52   2.670  12.397  -0.218
  375    HB2  ASN  52           HB2      ASN  52   1.593  12.296   2.620
  376    HB3  ASN  52           HB3      ASN  52   2.994  13.237   2.100
  377   HD21  ASN  52          HD21      ASN  52  -0.216  13.573   2.797
  378   HD22  ASN  52          HD22      ASN  52  -0.548  14.956   1.764
  379    H    GLY  53           H        GLY  53   4.405  11.914   2.151
  380    HA2  GLY  53           HA2      GLY  53   5.358   9.152   1.500
  381    HA3  GLY  53           HA3      GLY  53   6.281  10.532   0.952
  382    H    SER  54           H        SER  54   4.837   9.437   4.075
  383    HA   SER  54           HA       SER  54   7.336   8.743   5.258
  384    HB2  SER  54           HB2      SER  54   6.339  11.515   5.834
  385    HB3  SER  54           HB3      SER  54   7.038  10.583   7.156
  386    HG   SER  54           HG       SER  54   8.252  11.076   4.646
  387    H    CYS  55           H        CYS  55   6.699   7.001   6.358
  388    HA   CYS  55           HA       CYS  55   4.160   6.429   7.299
  389    HB2  CYS  55           HB2      CYS  55   6.776   5.169   8.121
  390    HB3  CYS  55           HB3      CYS  55   5.206   4.394   7.979
  391    H    GLN  56           H        GLN  56   4.969   8.900   8.624
  392    HA   GLN  56           HA       GLN  56   5.435   8.166  11.469
  393    HB2  GLN  56           HB2      GLN  56   5.950  10.665   9.841
  394    HB3  GLN  56           HB3      GLN  56   5.757  10.761  11.583
  395    HG2  GLN  56           HG2      GLN  56   8.055  10.634  11.286
  396    HG3  GLN  56           HG3      GLN  56   7.587   9.047  11.865
  397   HE21  GLN  56          HE21      GLN  56  10.058   9.058  10.816
  398   HE22  GLN  56          HE22      GLN  56  10.017   8.461   9.168
  399    HA   PRO  57           HA       PRO  57   1.122   9.379  12.147
  400    HB2  PRO  57           HB2      PRO  57   0.850   8.659  14.761
  401    HB3  PRO  57           HB3      PRO  57   1.015   7.450  13.464
  402    HG2  PRO  57           HG2      PRO  57   3.186   8.518  15.285
  403    HG3  PRO  57           HG3      PRO  57   2.816   6.815  14.871
  404    HD2  PRO  57           HD2      PRO  57   4.770   8.241  13.596
  405    HD3  PRO  57           HD3      PRO  57   3.779   7.015  12.743
  406    H    ALA  58           H        ALA  58  -0.005  11.055  13.028
  407    HA   ALA  58           HA       ALA  58   1.211  12.724  15.181
  408    HB1  ALA  58           HB1      ALA  58  -1.142  13.337  13.329
  409    HB2  ALA  58           HB2      ALA  58  -0.475  14.412  14.569
  410    HB3  ALA  58           HB3      ALA  58   0.497  14.001  13.146
  411    H    ILE  59           H        ILE  59  -0.494  13.375  16.831
  412    HA   ILE  59           HA       ILE  59  -2.575  11.269  17.303
  413    HB   ILE  59           HB       ILE  59  -1.704  13.423  19.257
  414   HG12  ILE  59          HG12      ILE  59   0.274  12.090  19.012
  415   HG13  ILE  59          HG13      ILE  59  -0.490  11.726  20.545
  416   HG21  ILE  59          HG21      ILE  59  -3.321  10.880  19.648
  417   HG22  ILE  59          HG22      ILE  59  -2.862  12.034  20.914
  418   HG23  ILE  59          HG23      ILE  59  -3.954  12.536  19.620
  419   HD11  ILE  59          HD11      ILE  59  -0.560   9.978  18.049
  420   HD12  ILE  59          HD12      ILE  59   0.362   9.690  19.529
  421   HD13  ILE  59          HD13      ILE  59  -1.406   9.602  19.572
  422    H    LYS  60           H        LYS  60  -4.583  11.813  16.696
  423    HA   LYS  60           HA       LYS  60  -5.445  14.669  16.592
  424    HB2  LYS  60           HB2      LYS  60  -4.558  13.883  14.345
  425    HB3  LYS  60           HB3      LYS  60  -5.840  12.673  14.316
  426    HG2  LYS  60           HG2      LYS  60  -7.533  14.570  14.406
  427    HG3  LYS  60           HG3      LYS  60  -6.170  15.706  14.321
  428    HD2  LYS  60           HD2      LYS  60  -5.456  14.432  12.193
  429    HD3  LYS  60           HD3      LYS  60  -7.040  13.670  12.212
  430    HE2  LYS  60           HE2      LYS  60  -6.569  16.693  12.152
  431    HE3  LYS  60           HE3      LYS  60  -6.693  15.711  10.703
  432    HZ1  LYS  60           HZ1      LYS  60  -8.869  16.099  12.677
  433    HZ2  LYS  60           HZ2      LYS  60  -8.782  16.739  11.196
  434    HZ3  LYS  60           HZ3      LYS  60  -8.973  15.121  11.334
  435    H    ASP  61           H        ASP  61  -7.157  14.735  17.918
  436    HA   ASP  61           HA       ASP  61  -8.794  14.126  19.326
  437    HB2  ASP  61           HB2      ASP  61 -10.219  14.036  17.399
  438    HB3  ASP  61           HB3      ASP  61  -9.734  12.377  17.049
  439    H    GLY  62           H        GLY  62  -6.791  13.224  20.434
  440    HA2  GLY  62           HA2      GLY  62  -6.123  11.790  22.114
  441    HA3  GLY  62           HA3      GLY  62  -7.787  11.173  22.044
  442    H    GLN  63           H        GLN  63  -6.071  10.640  19.136
  443    HA   GLN  63           HA       GLN  63  -5.207   7.904  19.832
  444    HB2  GLN  63           HB2      GLN  63  -6.662   6.882  18.194
  445    HB3  GLN  63           HB3      GLN  63  -7.643   7.840  19.299
  446    HG2  GLN  63           HG2      GLN  63  -7.442   9.717  17.464
  447    HG3  GLN  63           HG3      GLN  63  -6.944   8.411  16.397
  448   HE21  GLN  63          HE21      GLN  63  -9.616   9.658  18.428
  449   HE22  GLN  63          HE22      GLN  63 -10.855   8.795  17.546
  450    H    ALA  64           H        ALA  64  -3.815   6.945  18.212
  451    HA   ALA  64           HA       ALA  64  -2.258   9.000  16.824
  452    HB1  ALA  64           HB1      ALA  64  -1.745   6.019  17.199
  453    HB2  ALA  64           HB2      ALA  64  -0.595   7.236  16.599
  454    HB3  ALA  64           HB3      ALA  64  -1.162   7.311  18.273
  455    H    VAL  65           H        VAL  65  -2.313   9.405  14.749
  456    HA   VAL  65           HA       VAL  65  -4.251   8.313  12.999
  457    HB   VAL  65           HB       VAL  65  -1.870  10.139  12.498
  458   HG11  VAL  65          HG11      VAL  65  -4.246   9.617  10.658
  459   HG12  VAL  65          HG12      VAL  65  -3.215  11.058  10.550
  460   HG13  VAL  65          HG13      VAL  65  -2.511   9.475  10.271
  461   HG21  VAL  65          HG21      VAL  65  -3.563  10.986  14.150
  462   HG22  VAL  65          HG22      VAL  65  -3.541  11.952  12.679
  463   HG23  VAL  65          HG23      VAL  65  -4.833  10.760  12.938
  464    H    ALA  66           H        ALA  66  -1.520   6.719  13.811
  465    HA   ALA  66           HA       ALA  66  -0.242   5.017  13.063
  466    HB1  ALA  66           HB1      ALA  66  -2.095   4.772  10.660
  467    HB2  ALA  66           HB2      ALA  66  -0.997   3.552  11.311
  468    HB3  ALA  66           HB3      ALA  66  -2.411   4.068  12.261
  469    H    ALA  67           H        ALA  67  -1.022   7.050  10.222
  470    HA   ALA  67           HA       ALA  67   1.679   8.071  10.166
  471    HB1  ALA  67           HB1      ALA  67   0.735   6.380   7.824
  472    HB2  ALA  67           HB2      ALA  67   2.166   7.430   7.827
  473    HB3  ALA  67           HB3      ALA  67   2.103   6.022   8.904
  474    H    GLU  68           H        GLU  68   1.209  10.222  10.006
  475    HA   GLU  68           HA       GLU  68  -1.218  11.087   8.495
  476    HB2  GLU  68           HB2      GLU  68  -0.824  11.881  10.871
  477    HB3  GLU  68           HB3      GLU  68   0.564  12.800  10.275
  478    HG2  GLU  68           HG2      GLU  68  -0.922  14.062   8.747
  479    HG3  GLU  68           HG3      GLU  68  -2.297  13.070   9.231
  480    H    ALA  69           H        ALA  69   2.350  11.525   8.588
  481    HA   ALA  69           HA       ALA  69   2.405  13.339   6.336
  482    HB1  ALA  69           HB1      ALA  69   4.608  11.702   7.665
  483    HB2  ALA  69           HB2      ALA  69   4.835  13.077   6.555
  484    HB3  ALA  69           HB3      ALA  69   4.085  13.334   8.138
  485    H    ALA  70           H        ALA  70   1.771  10.047   6.352
  486    HA   ALA  70           HA       ALA  70   2.755   9.535   3.605
  487    HB1  ALA  70           HB1      ALA  70   1.046   7.867   5.504
  488    HB2  ALA  70           HB2      ALA  70   1.730   7.327   3.958
  489    HB3  ALA  70           HB3      ALA  70   2.811   7.725   5.304
  490    H    GLY  71           H        GLY  71  -0.083  10.868   5.134
  491    HA2  GLY  71           HA2      GLY  71  -2.027  11.705   4.210
  492    HA3  GLY  71           HA3      GLY  71  -1.425  11.291   2.595
  493    H    GLY  72           H        GLY  72  -3.941  11.002   2.771
  494    HA2  GLY  72           HA2      GLY  72  -4.781   8.276   3.583
  495    HA3  GLY  72           HA3      GLY  72  -5.790   9.569   2.905
  496    H    HIS  73           H        HIS  73  -6.676   7.844   1.665
  497    HA   HIS  73           HA       HIS  73  -5.333   6.528  -0.535
  498    HB2  HIS  73           HB2      HIS  73  -8.196   7.378  -0.012
  499    HB3  HIS  73           HB3      HIS  73  -7.732   6.531  -1.465
  500    HD2  HIS  73           HD2      HIS  73  -7.374   5.900   2.371
  501    HE1  HIS  73           HE1      HIS  73  -8.510   2.183   0.658
  502    HE2  HIS  73           HE2      HIS  73  -7.959   3.433   2.826
  503    H    LEU  74           H        LEU  74  -4.586   7.407  -2.344
  504    HA   LEU  74           HA       LEU  74  -4.666  10.201  -2.979
  505    HB2  LEU  74           HB2      LEU  74  -2.728   8.813  -3.306
  506    HB3  LEU  74           HB3      LEU  74  -3.567   7.714  -4.365
  507    HG   LEU  74           HG       LEU  74  -3.705   9.513  -6.108
  508   HD11  LEU  74          HD11      LEU  74  -1.946  11.103  -4.196
  509   HD12  LEU  74          HD12      LEU  74  -2.365  11.549  -5.856
  510   HD13  LEU  74          HD13      LEU  74  -3.627  11.513  -4.616
  511   HD21  LEU  74          HD21      LEU  74  -1.871   7.873  -6.084
  512   HD22  LEU  74          HD22      LEU  74  -1.314   9.448  -6.673
  513   HD23  LEU  74          HD23      LEU  74  -0.924   8.933  -5.017
  514    H    ASP  75           H        ASP  75  -7.123  10.209  -2.867
  515    HA   ASP  75           HA       ASP  75  -8.172  10.210  -5.672
  516    HB2  ASP  75           HB2      ASP  75  -9.550   8.861  -4.093
  517    HB3  ASP  75           HB3      ASP  75  -9.825  10.303  -3.125
  518    HA   PRO  76           HA       PRO  76  -7.463  14.573  -4.612
  519    HB2  PRO  76           HB2      PRO  76  -7.260  15.630  -7.111
  520    HB3  PRO  76           HB3      PRO  76  -5.990  14.597  -6.392
  521    HG2  PRO  76           HG2      PRO  76  -8.164  13.780  -8.343
  522    HG3  PRO  76           HG3      PRO  76  -6.419  13.390  -8.396
  523    HD2  PRO  76           HD2      PRO  76  -8.326  11.685  -7.369
  524    HD3  PRO  76           HD3      PRO  76  -6.646  11.738  -6.756
  525    H    GLN  77           H        GLN  77 -10.085  13.439  -6.709
  526    HA   GLN  77           HA       GLN  77 -12.141  15.209  -5.955
  527    HB2  GLN  77           HB2      GLN  77 -12.211  16.763  -7.847
  528    HB3  GLN  77           HB3      GLN  77 -10.802  17.025  -6.860
  529    HG2  GLN  77           HG2      GLN  77  -9.778  15.313  -8.775
  530    HG3  GLN  77           HG3      GLN  77 -11.025  16.124  -9.702
  531   HE21  GLN  77          HE21      GLN  77  -7.937  16.283  -9.720
  532   HE22  GLN  77          HE22      GLN  77  -7.595  17.986  -9.477
  533    H    ASN  78           H        ASN  78 -11.737  12.434  -6.575
  534    HA   ASN  78           HA       ASN  78 -13.095  12.053  -9.220
  535    HB2  ASN  78           HB2      ASN  78 -10.841  11.573  -9.489
  536    HB3  ASN  78           HB3      ASN  78 -10.673  10.819  -7.926
  537   HD21  ASN  78          HD21      ASN  78 -11.015   8.660  -7.697
  538   HD22  ASN  78          HD22      ASN  78 -11.047   7.617  -9.124
  539    H    THR  79           H        THR  79 -13.059  11.089  -5.869
  540    HA   THR  79           HA       THR  79 -15.586  11.164  -5.325
  541    HB   THR  79           HB       THR  79 -16.366   9.705  -7.081
  542    HG1  THR  79           HG1      THR  79 -17.715   8.520  -5.782
  543   HG21  THR  79          HG21      THR  79 -15.275   7.341  -5.519
  544   HG22  THR  79          HG22      THR  79 -16.093   7.344  -7.088
  545   HG23  THR  79          HG23      THR  79 -14.451   7.992  -6.954
  546    H    GLY  80           H        GLY  80 -13.067   8.687  -4.929
  547    HA2  GLY  80           HA2      GLY  80 -11.821   8.391  -2.959
  548    HA3  GLY  80           HA3      GLY  80 -13.087   9.184  -2.004
  549    H    LYS  81           H        LYS  81 -14.943   7.059  -3.603
  550    HA   LYS  81           HA       LYS  81 -15.067   5.360  -1.307
  551    HB2  LYS  81           HB2      LYS  81 -17.070   4.570  -2.099
  552    HB3  LYS  81           HB3      LYS  81 -16.988   6.219  -2.706
  553    HG2  LYS  81           HG2      LYS  81 -16.167   5.183  -4.932
  554    HG3  LYS  81           HG3      LYS  81 -16.632   3.619  -4.259
  555    HD2  LYS  81           HD2      LYS  81 -18.430   6.025  -4.730
  556    HD3  LYS  81           HD3      LYS  81 -18.417   4.554  -5.687
  557    HE2  LYS  81           HE2      LYS  81 -19.222   4.712  -2.738
  558    HE3  LYS  81           HE3      LYS  81 -20.351   4.784  -4.092
  559    HZ1  LYS  81           HZ1      LYS  81 -18.632   2.471  -3.416
  560    HZ2  LYS  81           HZ2      LYS  81 -20.246   2.553  -3.233
  561    HZ3  LYS  81           HZ3      LYS  81 -19.630   2.554  -4.748
  562    H    HIS  82           H        HIS  82 -12.813   4.998  -3.554
  563    HA   HIS  82           HA       HIS  82 -11.168   3.505  -3.714
  564    HB2  HIS  82           HB2      HIS  82 -11.854   2.604  -1.489
  565    HB3  HIS  82           HB3      HIS  82 -12.832   1.396  -2.320
  566    HD2  HIS  82           HD2      HIS  82 -11.717  -0.783  -3.001
  567    HE1  HIS  82           HE1      HIS  82  -7.634   0.192  -2.601
  568    HE2  HIS  82           HE2      HIS  82  -9.282  -1.665  -2.975
  569    H    GLU  83           H        GLU  83 -10.408   2.291  -5.303
  570    HA   GLU  83           HA       GLU  83 -12.317   2.009  -7.504
  571    HB2  GLU  83           HB2      GLU  83 -10.387   3.806  -7.014
  572    HB3  GLU  83           HB3      GLU  83  -9.379   2.617  -7.828
  573    HG2  GLU  83           HG2      GLU  83 -10.910   2.738  -9.800
  574    HG3  GLU  83           HG3      GLU  83 -11.929   3.837  -8.924
  575    H    GLY  84           H        GLY  84 -11.162  -0.324  -5.824
  576    HA2  GLY  84           HA2      GLY  84  -9.668  -1.957  -7.744
  577    HA3  GLY  84           HA3      GLY  84 -10.297  -2.472  -6.163
  578    HA   PRO  85           HA       PRO  85 -13.800  -3.928  -8.785
  579    HB2  PRO  85           HB2      PRO  85 -15.980  -3.833  -7.263
  580    HB3  PRO  85           HB3      PRO  85 -14.477  -4.504  -6.553
  581    HG2  PRO  85           HG2      PRO  85 -15.533  -1.658  -6.337
  582    HG3  PRO  85           HG3      PRO  85 -15.075  -2.728  -4.986
  583    HD2  PRO  85           HD2      PRO  85 -13.384  -0.873  -6.156
  584    HD3  PRO  85           HD3      PRO  85 -12.794  -2.377  -5.384
  585    H    GLU  86           H        GLU  86 -13.757  -0.520  -8.599
  586    HA   GLU  86           HA       GLU  86 -16.062  -0.135 -10.400
  587    HB2  GLU  86           HB2      GLU  86 -15.648   1.216  -7.696
  588    HB3  GLU  86           HB3      GLU  86 -16.649   1.925  -8.952
  589    HG2  GLU  86           HG2      GLU  86 -17.247  -0.859  -7.886
  590    HG3  GLU  86           HG3      GLU  86 -17.757   0.596  -7.046
  591    H    GLY  87           H        GLY  87 -15.722   1.677 -11.740
  592    HA2  GLY  87           HA2      GLY  87 -12.964   2.273 -12.210
  593    HA3  GLY  87           HA3      GLY  87 -14.356   2.908 -13.120
  594    H    GLN  88           H        GLN  88 -14.519   3.763  -9.810
  595    HA   GLN  88           HA       GLN  88 -12.797   6.113  -9.986
  596    HB2  GLN  88           HB2      GLN  88 -15.816   6.469  -9.643
  597    HB3  GLN  88           HB3      GLN  88 -14.582   7.702  -9.378
  598    HG2  GLN  88           HG2      GLN  88 -13.901   7.435 -11.807
  599    HG3  GLN  88           HG3      GLN  88 -15.344   6.425 -12.031
  600   HE21  GLN  88          HE21      GLN  88 -14.241   9.679 -11.018
  601   HE22  GLN  88          HE22      GLN  88 -15.702  10.484 -11.572
  602    H    GLY  89           H        GLY  89 -11.872   6.332  -8.040
  603    HA2  GLY  89           HA2      GLY  89 -13.248   6.463  -5.572
  604    HA3  GLY  89           HA3      GLY  89 -12.737   4.812  -5.798
  605    H    HIS  90           H        HIS  90 -10.190   6.119  -7.203
  606    HA   HIS  90           HA       HIS  90  -8.483   7.591  -5.832
  607    HB2  HIS  90           HB2      HIS  90  -8.592   6.899  -3.689
  608    HB3  HIS  90           HB3      HIS  90  -9.043   5.271  -4.105
  609    HD2  HIS  90           HD2      HIS  90  -5.529   6.787  -4.841
  610    HE1  HIS  90           HE1      HIS  90  -5.123   3.703  -1.959
  611    HE2  HIS  90           HE2      HIS  90  -3.870   5.391  -3.391
  612    H    LEU  91           H        LEU  91  -6.913   7.736  -7.209
  613    HA   LEU  91           HA       LEU  91  -6.545   5.854  -9.312
  614    HB2  LEU  91           HB2      LEU  91  -6.332   8.280  -9.484
  615    HB3  LEU  91           HB3      LEU  91  -4.924   8.300  -8.431
  616    HG   LEU  91           HG       LEU  91  -4.792   6.613 -10.930
  617   HD11  LEU  91          HD11      LEU  91  -4.576   9.652 -10.939
  618   HD12  LEU  91          HD12      LEU  91  -4.126   8.581 -12.283
  619   HD13  LEU  91          HD13      LEU  91  -5.814   8.675 -11.761
  620   HD21  LEU  91          HD21      LEU  91  -2.816   6.722  -9.369
  621   HD22  LEU  91          HD22      LEU  91  -2.448   7.378 -10.965
  622   HD23  LEU  91          HD23      LEU  91  -2.758   8.477  -9.604
  623    H    GLY  92           H        GLY  92  -4.813   6.188  -6.296
  624    HA2  GLY  92           HA2      GLY  92  -2.643   4.342  -7.078
  625    HA3  GLY  92           HA3      GLY  92  -2.840   5.156  -5.508
  626    H    ASP  93           H        ASP  93  -5.670   3.458  -6.646
  627    HA   ASP  93           HA       ASP  93  -5.277   1.248  -4.741
  628    HB2  ASP  93           HB2      ASP  93  -7.513   1.970  -6.660
  629    HB3  ASP  93           HB3      ASP  93  -7.535   0.550  -5.616
  630    H    LEU  94           H        LEU  94  -5.235  -0.977  -5.408
  631    HA   LEU  94           HA       LEU  94  -3.619  -1.458  -7.834
  632    HB2  LEU  94           HB2      LEU  94  -2.766  -0.364  -5.253
  633    HB3  LEU  94           HB3      LEU  94  -2.020  -1.925  -5.497
  634    HG   LEU  94           HG       LEU  94  -0.634  -1.205  -7.082
  635   HD11  LEU  94          HD11      LEU  94  -2.223   1.317  -7.701
  636   HD12  LEU  94          HD12      LEU  94  -0.725   0.785  -8.480
  637   HD13  LEU  94          HD13      LEU  94  -2.203  -0.138  -8.730
  638   HD21  LEU  94          HD21      LEU  94  -0.254  -0.095  -4.898
  639   HD22  LEU  94          HD22      LEU  94   0.476   0.745  -6.281
  640   HD23  LEU  94          HD23      LEU  94  -1.018   1.365  -5.555
  641    HA   PRO  95           HA       PRO  95  -4.739  -5.597  -7.169
  642    HB2  PRO  95           HB2      PRO  95  -2.678  -7.137  -8.065
  643    HB3  PRO  95           HB3      PRO  95  -3.542  -5.987  -9.130
  644    HG2  PRO  95           HG2      PRO  95  -0.928  -5.554  -7.648
  645    HG3  PRO  95           HG3      PRO  95  -1.282  -5.229  -9.377
  646    HD2  PRO  95           HD2      PRO  95  -1.387  -3.293  -7.445
  647    HD3  PRO  95           HD3      PRO  95  -2.498  -3.282  -8.850
  648    H    VAL  96           H        VAL  96  -4.767  -7.443  -5.809
  649    HA   VAL  96           HA       VAL  96  -3.680  -6.968  -3.224
  650    HB   VAL  96           HB       VAL  96  -4.770  -9.692  -3.869
  651   HG11  VAL  96          HG11      VAL  96  -5.073  -7.851  -1.501
  652   HG12  VAL  96          HG12      VAL  96  -5.755  -9.481  -1.642
  653   HG13  VAL  96          HG13      VAL  96  -4.003  -9.270  -1.609
  654   HG21  VAL  96          HG21      VAL  96  -6.379  -8.238  -5.028
  655   HG22  VAL  96          HG22      VAL  96  -7.086  -8.843  -3.529
  656   HG23  VAL  96          HG23      VAL  96  -6.471  -7.180  -3.601
  657    H    LEU  97           H        LEU  97  -2.050  -7.810  -2.101
  658    HA   LEU  97           HA       LEU  97   0.213  -8.849  -3.568
  659    HB2  LEU  97           HB2      LEU  97  -0.229  -6.903  -1.659
  660    HB3  LEU  97           HB3      LEU  97   0.290  -8.208  -0.627
  661    HG   LEU  97           HG       LEU  97   1.811  -6.945  -2.943
  662   HD11  LEU  97          HD11      LEU  97   2.272  -6.991   0.083
  663   HD12  LEU  97          HD12      LEU  97   3.370  -6.270  -1.106
  664   HD13  LEU  97          HD13      LEU  97   1.741  -5.587  -0.874
  665   HD21  LEU  97          HD21      LEU  97   2.373  -9.301  -2.848
  666   HD22  LEU  97          HD22      LEU  97   3.682  -8.335  -2.152
  667   HD23  LEU  97          HD23      LEU  97   2.562  -9.207  -1.065
  668    H    VAL  98           H        VAL  98   0.311 -11.050  -3.782
  669    HA   VAL  98           HA       VAL  98  -0.919 -12.862  -1.912
  670    HB   VAL  98           HB       VAL  98   0.942 -13.520  -4.207
  671   HG11  VAL  98          HG11      VAL  98  -1.068 -15.232  -2.678
  672   HG12  VAL  98          HG12      VAL  98  -0.246 -15.732  -4.172
  673   HG13  VAL  98          HG13      VAL  98   0.699 -15.449  -2.706
  674   HG21  VAL  98          HG21      VAL  98  -0.973 -12.247  -5.045
  675   HG22  VAL  98          HG22      VAL  98  -1.137 -13.946  -5.499
  676   HG23  VAL  98          HG23      VAL  98  -2.091 -13.299  -4.148
  677    H    VAL  99           H        VAL  99  -0.171 -13.938  -0.285
  678    HA   VAL  99           HA       VAL  99   2.734 -14.345   0.256
  679    HB   VAL  99           HB       VAL  99   0.833 -14.871   2.480
  680   HG11  VAL  99          HG11      VAL  99   3.455 -13.295   2.537
  681   HG12  VAL  99          HG12      VAL  99   2.534 -13.861   3.911
  682   HG13  VAL  99          HG13      VAL  99   3.261 -15.045   2.817
  683   HG21  VAL  99          HG21      VAL  99  -0.240 -12.839   1.731
  684   HG22  VAL  99          HG22      VAL  99   0.605 -12.627   3.265
  685   HG23  VAL  99          HG23      VAL  99   1.317 -11.985   1.750
  686    H    ASN 100           H        ASN 100   3.269 -16.552   0.526
  687    HA   ASN 100           HA       ASN 100   1.147 -18.520  -0.093
  688    HB2  ASN 100           HB2      ASN 100   2.768 -20.037  -0.546
  689    HB3  ASN 100           HB3      ASN 100   3.647 -18.564  -0.934
  690   HD21  ASN 100          HD21      ASN 100   5.205 -17.753   0.788
  691   HD22  ASN 100          HD22      ASN 100   5.896 -18.986   1.855
  692    H    ASN 101           H        ASN 101   0.814 -20.391   1.290
  693    HA   ASN 101           HA       ASN 101  -0.132 -19.979   3.755
  694    HB2  ASN 101           HB2      ASN 101  -0.534 -22.227   3.894
  695    HB3  ASN 101           HB3      ASN 101  -0.283 -22.025   2.160
  696   HD21  ASN 101          HD21      ASN 101   2.550 -22.003   1.962
  697   HD22  ASN 101          HD22      ASN 101   3.222 -23.354   2.819
  698    H    ASP 102           H        ASP 102   3.297 -20.242   3.312
  699    HA   ASP 102           HA       ASP 102   3.861 -20.922   6.136
  700    HB2  ASP 102           HB2      ASP 102   4.999 -21.895   3.963
  701    HB3  ASP 102           HB3      ASP 102   5.947 -20.409   4.005
  702    H    GLY 103           H        GLY 103   3.181 -18.072   4.551
  703    HA2  GLY 103           HA2      GLY 103   3.224 -15.950   5.536
  704    HA3  GLY 103           HA3      GLY 103   4.471 -16.482   6.681
  705    H    ILE 104           H        ILE 104   5.126 -17.100   3.349
  706    HA   ILE 104           HA       ILE 104   6.933 -14.728   3.209
  707    HB   ILE 104           HB       ILE 104   7.315 -17.267   1.609
  708   HG12  ILE 104          HG12      ILE 104   8.755 -16.384   4.141
  709   HG13  ILE 104          HG13      ILE 104   7.653 -17.733   4.020
  710   HG21  ILE 104          HG21      ILE 104   9.213 -14.934   2.091
  711   HG22  ILE 104          HG22      ILE 104   9.457 -16.315   1.001
  712   HG23  ILE 104          HG23      ILE 104   8.222 -15.125   0.636
  713   HD11  ILE 104          HD11      ILE 104  10.383 -17.532   2.711
  714   HD12  ILE 104          HD12      ILE 104   9.862 -18.624   4.000
  715   HD13  ILE 104          HD13      ILE 104   9.201 -18.821   2.366
  716    H    ALA 105           H        ALA 105   6.434 -13.181   1.862
  717    HA   ALA 105           HA       ALA 105   4.548 -13.638  -0.408
  718    HB1  ALA 105           HB1      ALA 105   5.636 -11.072   0.842
  719    HB2  ALA 105           HB2      ALA 105   4.594 -11.150  -0.596
  720    HB3  ALA 105           HB3      ALA 105   3.966 -11.707   0.953
  721    H    THR 106           H        THR 106   5.381 -14.069  -2.277
  722    HA   THR 106           HA       THR 106   8.045 -13.111  -3.163
  723    HB   THR 106           HB       THR 106   8.160 -15.104  -1.582
  724    HG1  THR 106           HG1      THR 106   9.848 -15.868  -2.651
  725   HG21  THR 106          HG21      THR 106   7.340 -16.692  -4.040
  726   HG22  THR 106          HG22      THR 106   7.833 -17.307  -2.452
  727   HG23  THR 106          HG23      THR 106   6.306 -16.439  -2.619
  728    H    GLU 107           H        GLU 107   5.011 -13.245  -4.084
  729    HA   GLU 107           HA       GLU 107   5.351 -14.496  -6.745
  730    HB2  GLU 107           HB2      GLU 107   2.933 -13.473  -5.244
  731    HB3  GLU 107           HB3      GLU 107   2.868 -14.098  -6.888
  732    HG2  GLU 107           HG2      GLU 107   3.861 -15.748  -4.517
  733    HG3  GLU 107           HG3      GLU 107   2.182 -15.693  -5.038
  734    HA   PRO 108           HA       PRO 108   5.712 -10.168  -8.271
  735    HB2  PRO 108           HB2      PRO 108   6.006 -10.713 -10.938
  736    HB3  PRO 108           HB3      PRO 108   7.325 -10.870  -9.745
  737    HG2  PRO 108           HG2      PRO 108   5.507 -13.054 -10.806
  738    HG3  PRO 108           HG3      PRO 108   7.295 -13.079 -10.644
  739    HD2  PRO 108           HD2      PRO 108   5.677 -14.197  -8.762
  740    HD3  PRO 108           HD3      PRO 108   7.166 -13.335  -8.291
  741    H    VAL 109           H        VAL 109   4.168  -8.780  -8.832
  742    HA   VAL 109           HA       VAL 109   1.859  -9.535 -10.544
  743    HB   VAL 109           HB       VAL 109   0.248  -8.410  -9.093
  744   HG11  VAL 109          HG11      VAL 109   1.621 -10.661  -7.565
  745   HG12  VAL 109          HG12      VAL 109  -0.069 -10.144  -7.421
  746   HG13  VAL 109          HG13      VAL 109   0.502 -10.875  -8.931
  747   HG21  VAL 109          HG21      VAL 109   1.656  -6.887  -7.809
  748   HG22  VAL 109          HG22      VAL 109   0.732  -7.915  -6.714
  749   HG23  VAL 109          HG23      VAL 109   2.453  -8.253  -6.990
  750    H    THR 110           H        THR 110   0.679  -7.420 -11.290
  751    HA   THR 110           HA       THR 110   2.626  -5.164 -11.484
  752    HB   THR 110           HB       THR 110   1.483  -6.698 -13.848
  753    HG1  THR 110           HG1      THR 110   3.546  -7.426 -14.089
  754   HG21  THR 110          HG21      THR 110   3.510  -4.408 -13.750
  755   HG22  THR 110          HG22      THR 110   3.065  -5.338 -15.196
  756   HG23  THR 110          HG23      THR 110   1.860  -4.330 -14.393
  757    H    ALA 111           H        ALA 111   1.778  -3.177 -11.807
  758    HA   ALA 111           HA       ALA 111  -1.184  -2.963 -12.189
  759    HB1  ALA 111           HB1      ALA 111   0.700  -1.230 -10.555
  760    HB2  ALA 111           HB2      ALA 111  -1.047  -0.977 -10.748
  761    HB3  ALA 111           HB3      ALA 111  -0.442  -2.432  -9.925
  762    HA   PRO 112           HA       PRO 112   0.282  -0.488 -15.820
  763    HB2  PRO 112           HB2      PRO 112  -1.989  -0.664 -17.337
  764    HB3  PRO 112           HB3      PRO 112  -0.812  -1.997 -17.197
  765    HG2  PRO 112           HG2      PRO 112  -3.374  -1.610 -15.621
  766    HG3  PRO 112           HG3      PRO 112  -2.828  -3.076 -16.499
  767    HD2  PRO 112           HD2      PRO 112  -2.453  -2.787 -13.834
  768    HD3  PRO 112           HD3      PRO 112  -1.203  -3.568 -14.850
  769    H    ARG 113           H        ARG 113  -1.496   0.318 -13.272
  770    HA   ARG 113           HA       ARG 113  -2.999   2.621 -14.185
  771    HB2  ARG 113           HB2      ARG 113  -3.670   1.200 -12.315
  772    HB3  ARG 113           HB3      ARG 113  -2.172   1.535 -11.465
  773    HG2  ARG 113           HG2      ARG 113  -4.016   2.684 -10.488
  774    HG3  ARG 113           HG3      ARG 113  -2.852   3.861 -11.094
  775    HD2  ARG 113           HD2      ARG 113  -5.330   3.060 -12.678
  776    HD3  ARG 113           HD3      ARG 113  -5.385   4.292 -11.408
  777    HE   ARG 113           HE       ARG 113  -3.250   4.878 -13.218
  778   HH11  ARG 113          HH11      ARG 113  -6.765   5.085 -13.068
  779   HH12  ARG 113          HH12      ARG 113  -6.818   6.546 -14.025
  780   HH21  ARG 113          HH21      ARG 113  -3.369   6.578 -14.623
  781   HH22  ARG 113          HH22      ARG 113  -4.908   7.299 -15.010
  782    H    LEU 114           H        LEU 114   0.323   2.072 -13.174
  783    HA   LEU 114           HA       LEU 114   0.919   4.944 -13.683
  784    HB2  LEU 114           HB2      LEU 114   2.852   3.499 -11.987
  785    HB3  LEU 114           HB3      LEU 114   2.505   5.148 -12.065
  786    HG   LEU 114           HG       LEU 114   2.174   4.180  -9.877
  787   HD11  LEU 114          HD11      LEU 114  -0.407   5.264 -10.960
  788   HD12  LEU 114          HD12      LEU 114   0.133   5.190  -9.255
  789   HD13  LEU 114          HD13      LEU 114   1.027   6.184 -10.418
  790   HD21  LEU 114          HD21      LEU 114   1.175   1.926 -10.707
  791   HD22  LEU 114          HD22      LEU 114   0.612   2.639  -9.183
  792   HD23  LEU 114          HD23      LEU 114  -0.379   2.785 -10.632
  793    H    LYS 115           H        LYS 115   2.574   5.155 -15.132
  794    HA   LYS 115           HA       LYS 115   3.697   2.656 -16.359
  795    HB2  LYS 115           HB2      LYS 115   2.458   5.112 -17.614
  796    HB3  LYS 115           HB3      LYS 115   3.624   4.125 -18.508
  797    HG2  LYS 115           HG2      LYS 115   2.287   2.169 -18.411
  798    HG3  LYS 115           HG3      LYS 115   1.223   2.827 -17.158
  799    HD2  LYS 115           HD2      LYS 115   0.276   4.439 -18.653
  800    HD3  LYS 115           HD3      LYS 115   1.411   4.033 -19.943
  801    HE2  LYS 115           HE2      LYS 115  -0.535   2.007 -18.737
  802    HE3  LYS 115           HE3      LYS 115  -0.986   3.070 -20.066
  803    HZ1  LYS 115           HZ1      LYS 115   1.141   0.999 -20.161
  804    HZ2  LYS 115           HZ2      LYS 115  -0.279   1.061 -20.992
  805    HZ3  LYS 115           HZ3      LYS 115   0.924   2.148 -21.320
  806    H    SER 116           H        SER 116   4.564   5.508 -14.701
  807    HA   SER 116           HA       SER 116   7.293   4.437 -15.073
  808    HB2  SER 116           HB2      SER 116   7.221   6.418 -16.548
  809    HB3  SER 116           HB3      SER 116   6.818   7.428 -15.149
  810    HG   SER 116           HG       SER 116   9.087   7.443 -15.500
  811    H    LEU 117           H        LEU 117   8.771   5.454 -13.319
  812    HA   LEU 117           HA       LEU 117   7.477   5.595 -10.656
  813    HB2  LEU 117           HB2      LEU 117  10.346   5.987 -11.653
  814    HB3  LEU 117           HB3      LEU 117   9.836   6.419 -10.041
  815    HG   LEU 117           HG       LEU 117  10.902   4.452  -9.738
  816   HD11  LEU 117          HD11      LEU 117   8.009   3.533  -9.890
  817   HD12  LEU 117          HD12      LEU 117   9.291   2.884  -8.853
  818   HD13  LEU 117          HD13      LEU 117   8.694   4.532  -8.585
  819   HD21  LEU 117          HD21      LEU 117  11.143   3.611 -12.001
  820   HD22  LEU 117          HD22      LEU 117  10.679   2.360 -10.850
  821   HD23  LEU 117          HD23      LEU 117   9.455   3.026 -11.967
  822    H    ASP 118           H        ASP 118   8.258   7.699 -13.314
  823    HA   ASP 118           HA       ASP 118   8.897  10.080 -12.001
  824    HB2  ASP 118           HB2      ASP 118   7.590   9.613 -14.707
  825    HB3  ASP 118           HB3      ASP 118   8.227  11.167 -14.170
  826    H    GLU 119           H        GLU 119   5.581   8.924 -12.726
  827    HA   GLU 119           HA       GLU 119   4.322  11.293 -11.646
  828    HB2  GLU 119           HB2      GLU 119   2.275   9.870 -11.637
  829    HB3  GLU 119           HB3      GLU 119   3.062  10.038 -13.189
  830    HG2  GLU 119           HG2      GLU 119   3.809   7.615 -11.554
  831    HG3  GLU 119           HG3      GLU 119   2.170   7.692 -12.198
  832    H    VAL 120           H        VAL 120   5.886   8.707  -9.965
  833    HA   VAL 120           HA       VAL 120   4.332   9.296  -7.459
  834    HB   VAL 120           HB       VAL 120   4.607   6.938  -6.791
  835   HG11  VAL 120          HG11      VAL 120   3.059   7.386  -9.366
  836   HG12  VAL 120          HG12      VAL 120   2.821   6.054  -8.233
  837   HG13  VAL 120          HG13      VAL 120   2.505   7.718  -7.714
  838   HG21  VAL 120          HG21      VAL 120   6.538   6.326  -8.280
  839   HG22  VAL 120          HG22      VAL 120   5.173   5.204  -8.397
  840   HG23  VAL 120          HG23      VAL 120   5.439   6.400  -9.677
  841    H    LYS 121           H        LYS 121   6.990  10.187  -8.614
  842    HA   LYS 121           HA       LYS 121   9.157   9.128  -7.216
  843    HB2  LYS 121           HB2      LYS 121  10.361  11.020  -8.221
  844    HB3  LYS 121           HB3      LYS 121   9.255  10.260  -9.357
  845    HG2  LYS 121           HG2      LYS 121   7.591  12.091  -8.961
  846    HG3  LYS 121           HG3      LYS 121   8.737  12.865  -7.855
  847    HD2  LYS 121           HD2      LYS 121  10.326  13.229  -9.682
  848    HD3  LYS 121           HD3      LYS 121   9.352  12.248 -10.777
  849    HE2  LYS 121           HE2      LYS 121   8.949  14.560 -11.316
  850    HE3  LYS 121           HE3      LYS 121   7.485  13.872 -10.616
  851    HZ1  LYS 121           HZ1      LYS 121   9.440  15.541  -9.119
  852    HZ2  LYS 121           HZ2      LYS 121   7.990  16.082  -9.656
  853    HZ3  LYS 121           HZ3      LYS 121   8.058  14.942  -8.505
  854    H    ASP 122           H        ASP 122   6.908  10.556  -5.416
  855    HA   ASP 122           HA       ASP 122   8.735  10.989  -3.239
  856    HB2  ASP 122           HB2      ASP 122   8.643  13.247  -4.673
  857    HB3  ASP 122           HB3      ASP 122   7.191  13.529  -3.748
  858    H    LYS 123           H        LYS 123   6.736   9.154  -3.553
  859    HA   LYS 123           HA       LYS 123   4.773   9.889  -1.442
  860    HB2  LYS 123           HB2      LYS 123   4.076   8.644  -4.134
  861    HB3  LYS 123           HB3      LYS 123   2.988   8.683  -2.742
  862    HG2  LYS 123           HG2      LYS 123   3.214  11.197  -2.694
  863    HG3  LYS 123           HG3      LYS 123   4.061  11.106  -4.245
  864    HD2  LYS 123           HD2      LYS 123   1.262  10.023  -3.725
  865    HD3  LYS 123           HD3      LYS 123   1.573  11.623  -4.365
  866    HE2  LYS 123           HE2      LYS 123   2.659   9.136  -5.744
  867    HE3  LYS 123           HE3      LYS 123   1.000   9.688  -6.015
  868    HZ1  LYS 123           HZ1      LYS 123   3.390  11.375  -6.500
  869    HZ2  LYS 123           HZ2      LYS 123   2.570  10.607  -7.665
  870    HZ3  LYS 123           HZ3      LYS 123   1.830  11.791  -6.810
  871    H    ALA 124           H        ALA 124   3.570   7.968  -0.564
  872    HA   ALA 124           HA       ALA 124   5.496   5.791   0.001
  873    HB1  ALA 124           HB1      ALA 124   2.961   6.700   1.427
  874    HB2  ALA 124           HB2      ALA 124   4.065   5.425   1.988
  875    HB3  ALA 124           HB3      ALA 124   4.635   7.091   1.888
  876    H    LEU 125           H        LEU 125   5.094   3.694   0.010
  877    HA   LEU 125           HA       LEU 125   2.706   2.502  -1.356
  878    HB2  LEU 125           HB2      LEU 125   5.498   1.444  -0.752
  879    HB3  LEU 125           HB3      LEU 125   4.236   0.508  -1.536
  880    HG   LEU 125           HG       LEU 125   5.172   3.087  -2.822
  881   HD11  LEU 125          HD11      LEU 125   6.615   0.406  -2.952
  882   HD12  LEU 125          HD12      LEU 125   6.936   1.803  -4.007
  883   HD13  LEU 125          HD13      LEU 125   7.228   1.925  -2.267
  884   HD21  LEU 125          HD21      LEU 125   3.213   1.679  -3.700
  885   HD22  LEU 125          HD22      LEU 125   4.515   2.022  -4.865
  886   HD23  LEU 125          HD23      LEU 125   4.422   0.439  -4.087
  887    H    MET 126           H        MET 126   1.538   0.968  -0.077
  888    HA   MET 126           HA       MET 126   2.649   0.223   2.602
  889    HB2  MET 126           HB2      MET 126   0.032   1.628   2.062
  890    HB3  MET 126           HB3      MET 126   0.221   0.563   3.468
  891    HG2  MET 126           HG2      MET 126   2.039   1.953   4.308
  892    HG3  MET 126           HG3      MET 126   1.957   2.987   2.888
  893    HE1  MET 126           HE1      MET 126   1.888   4.973   4.505
  894    HE2  MET 126           HE2      MET 126   0.615   5.299   5.705
  895    HE3  MET 126           HE3      MET 126   1.789   3.985   5.961
  896    H    ILE 127           H        ILE 127   2.048  -1.696   3.405
  897    HA   ILE 127           HA       ILE 127   0.497  -3.596   1.657
  898    HB   ILE 127           HB       ILE 127   2.460  -4.244   3.893
  899   HG12  ILE 127          HG12      ILE 127   2.778  -4.376   0.862
  900   HG13  ILE 127          HG13      ILE 127   3.637  -3.317   1.960
  901   HG21  ILE 127          HG21      ILE 127   0.977  -6.043   1.920
  902   HG22  ILE 127          HG22      ILE 127   2.175  -6.589   3.117
  903   HG23  ILE 127          HG23      ILE 127   0.651  -5.917   3.660
  904   HD11  ILE 127          HD11      ILE 127   3.980  -6.326   1.751
  905   HD12  ILE 127          HD12      ILE 127   5.139  -5.058   1.335
  906   HD13  ILE 127          HD13      ILE 127   4.706  -5.328   3.033
  907    H    HIS 128           H        HIS 128  -1.416  -4.154   2.302
  908    HA   HIS 128           HA       HIS 128  -2.479  -3.028   4.837
  909    HB2  HIS 128           HB2      HIS 128  -3.640  -3.542   2.082
  910    HB3  HIS 128           HB3      HIS 128  -4.587  -2.950   3.400
  911    HD1  HIS 128           HD1      HIS 128  -1.559  -1.743   1.391
  912    HD2  HIS 128           HD2      HIS 128  -4.708  -0.425   3.822
  913    HE1  HIS 128           HE1      HIS 128  -1.671   0.789   1.085
  914    H    VAL 129           H        VAL 129  -3.938  -4.229   6.158
  915    HA   VAL 129           HA       VAL 129  -3.146  -7.001   6.290
  916    HB   VAL 129           HB       VAL 129  -5.151  -5.425   7.897
  917   HG11  VAL 129          HG11      VAL 129  -4.199  -8.286   8.385
  918   HG12  VAL 129          HG12      VAL 129  -5.050  -7.285   9.583
  919   HG13  VAL 129          HG13      VAL 129  -5.875  -7.761   8.099
  920   HG21  VAL 129          HG21      VAL 129  -2.731  -4.837   8.131
  921   HG22  VAL 129          HG22      VAL 129  -3.385  -5.513   9.627
  922   HG23  VAL 129          HG23      VAL 129  -2.372  -6.513   8.565
  923    H    GLY 130           H        GLY 130  -6.185  -5.467   5.197
  924    HA2  GLY 130           HA2      GLY 130  -7.265  -8.127   4.353
  925    HA3  GLY 130           HA3      GLY 130  -8.158  -6.595   4.403
  926    H    GLY 131           H        GLY 131  -7.769  -8.520   2.207
  927    HA2  GLY 131           HA2      GLY 131  -6.566  -7.085   0.005
  928    HA3  GLY 131           HA3      GLY 131  -7.729  -8.425  -0.087
  929    H    ASP 132           H        ASP 132  -8.354  -6.954  -1.888
  930    HA   ASP 132           HA       ASP 132  -8.862  -4.212  -0.947
  931    HB2  ASP 132           HB2      ASP 132  -6.597  -5.413  -1.799
  932    HB3  ASP 132           HB3      ASP 132  -7.183  -4.888  -3.352
  933    H    ASN 133           H        ASN 133 -10.870  -6.169  -2.335
  934    HA   ASN 133           HA       ASN 133 -11.643  -4.443  -4.633
  935    HB2  ASN 133           HB2      ASN 133 -12.802  -6.328  -5.528
  936    HB3  ASN 133           HB3      ASN 133 -11.156  -6.794  -5.136
  937   HD21  ASN 133          HD21      ASN 133 -12.954  -8.783  -5.565
  938   HD22  ASN 133          HD22      ASN 133 -13.349  -9.555  -4.034
  939    H    MET 134           H        MET 134 -12.344  -3.891  -1.691
  940    HA   MET 134           HA       MET 134 -15.333  -3.905  -1.861
  941    HB2  MET 134           HB2      MET 134 -13.434  -3.159   0.399
  942    HB3  MET 134           HB3      MET 134 -15.194  -3.016   0.470
  943    HG2  MET 134           HG2      MET 134 -15.384  -5.468   0.013
  944    HG3  MET 134           HG3      MET 134 -13.632  -5.606   0.125
  945    HE1  MET 134           HE1      MET 134 -12.719  -3.797   2.532
  946    HE2  MET 134           HE2      MET 134 -12.860  -4.960   3.858
  947    HE3  MET 134           HE3      MET 134 -12.251  -5.494   2.277
  948    H    SER 135           H        SER 135 -16.430  -2.107  -2.563
  949    HA   SER 135           HA       SER 135 -15.161   0.584  -2.228
  950    HB2  SER 135           HB2      SER 135 -16.343   1.210  -4.302
  951    HB3  SER 135           HB3      SER 135 -15.204  -0.112  -4.565
  952    HG   SER 135           HG       SER 135 -17.404  -0.385  -5.481
  953    H    ASP 136           H        ASP 136 -17.567  -1.155  -0.807
  954    HA   ASP 136           HA       ASP 136 -19.285   1.170  -0.270
  955    HB2  ASP 136           HB2      ASP 136 -19.874  -0.245  -2.509
  956    HB3  ASP 136           HB3      ASP 136 -20.666  -1.289  -1.342
  957    H    GLN 137           H        GLN 137 -19.891   1.052   1.870
  958    HA   GLN 137           HA       GLN 137 -20.328  -1.378   3.350
  959    HB2  GLN 137           HB2      GLN 137 -17.706  -1.183   2.794
  960    HB3  GLN 137           HB3      GLN 137 -17.730   0.067   4.007
  961    HG2  GLN 137           HG2      GLN 137 -17.001  -1.999   4.989
  962    HG3  GLN 137           HG3      GLN 137 -18.586  -1.640   5.661
  963   HE21  GLN 137          HE21      GLN 137 -16.806  -3.788   3.339
  964   HE22  GLN 137          HE22      GLN 137 -18.112  -4.955   3.284
  965    HA   PRO 138           HA       PRO 138 -21.945   2.030   5.893
  966    HB2  PRO 138           HB2      PRO 138 -22.631   0.735   8.212
  967    HB3  PRO 138           HB3      PRO 138 -23.540   0.548   6.684
  968    HG2  PRO 138           HG2      PRO 138 -21.374  -1.265   7.781
  969    HG3  PRO 138           HG3      PRO 138 -23.000  -1.722   7.172
  970    HD2  PRO 138           HD2      PRO 138 -20.813  -1.877   5.600
  971    HD3  PRO 138           HD3      PRO 138 -22.369  -1.319   4.924
  972    H    LYS 139           H        LYS 139 -19.123   0.220   6.733
  973    HA   LYS 139           HA       LYS 139 -18.154   2.412   8.502
  974    HB2  LYS 139           HB2      LYS 139 -18.009  -0.596   8.918
  975    HB3  LYS 139           HB3      LYS 139 -16.822   0.482   9.659
  976    HG2  LYS 139           HG2      LYS 139 -18.318   1.422  11.132
  977    HG3  LYS 139           HG3      LYS 139 -19.705   1.215  10.073
  978    HD2  LYS 139           HD2      LYS 139 -19.924  -0.180  12.038
  979    HD3  LYS 139           HD3      LYS 139 -19.852  -1.148  10.561
  980    HE2  LYS 139           HE2      LYS 139 -17.454  -1.663  11.025
  981    HE3  LYS 139           HE3      LYS 139 -17.540  -0.684  12.502
  982    HZ1  LYS 139           HZ1      LYS 139 -19.200  -3.086  11.999
  983    HZ2  LYS 139           HZ2      LYS 139 -17.862  -3.099  12.895
  984    HZ3  LYS 139           HZ3      LYS 139 -19.166  -2.207  13.387
  985    HA   PRO 140           HA       PRO 140 -15.434   2.730   5.152
  986    HB2  PRO 140           HB2      PRO 140 -13.167   3.933   6.222
  987    HB3  PRO 140           HB3      PRO 140 -14.714   4.758   5.870
  988    HG2  PRO 140           HG2      PRO 140 -13.771   3.617   8.513
  989    HG3  PRO 140           HG3      PRO 140 -14.513   5.218   8.196
  990    HD2  PRO 140           HD2      PRO 140 -16.001   3.174   9.137
  991    HD3  PRO 140           HD3      PRO 140 -16.663   4.248   7.866
  992    H    LEU 141           H        LEU 141 -14.373   1.277   4.078
  993    HA   LEU 141           HA       LEU 141 -13.218  -0.575   3.457
  994    HB2  LEU 141           HB2      LEU 141 -11.287   0.553   5.529
  995    HB3  LEU 141           HB3      LEU 141 -10.946  -0.894   4.606
  996    HG   LEU 141           HG       LEU 141 -11.183   0.361   2.479
  997   HD11  LEU 141          HD11      LEU 141 -11.235   2.803   4.313
  998   HD12  LEU 141          HD12      LEU 141 -10.869   2.850   2.575
  999   HD13  LEU 141          HD13      LEU 141 -12.466   2.341   3.114
 1000   HD21  LEU 141          HD21      LEU 141  -9.018  -0.186   3.521
 1001   HD22  LEU 141          HD22      LEU 141  -8.941   1.361   2.690
 1002   HD23  LEU 141          HD23      LEU 141  -9.071   1.324   4.461
 1003    H    GLY 142           H        GLY 142 -14.961  -0.715   6.175
 1004    HA2  GLY 142           HA2      GLY 142 -15.701  -2.440   7.532
 1005    HA3  GLY 142           HA3      GLY 142 -14.814  -3.580   6.493
 1006    H    GLY 143           H        GLY 143 -12.762  -1.162   7.784
 1007    HA2  GLY 143           HA2      GLY 143 -11.356  -1.323   9.778
 1008    HA3  GLY 143           HA3      GLY 143 -11.652  -3.076   9.828
 1009    H    GLY 144           H        GLY 144 -11.206  -2.397   6.610
 1010    HA2  GLY 144           HA2      GLY 144  -8.573  -3.484   6.446
 1011    HA3  GLY 144           HA3      GLY 144  -9.514  -2.782   5.114
 1012    H    GLY 145           H        GLY 145  -9.074  -0.459   7.573
 1013    HA2  GLY 145           HA2      GLY 145  -6.876   0.954   6.205
 1014    HA3  GLY 145           HA3      GLY 145  -7.732   1.450   7.692
 1015    H    THR 146           H        THR 146  -7.029  -1.629   8.341
 1016    HA   THR 146           HA       THR 146  -4.658  -1.182   9.942
 1017    HB   THR 146           HB       THR 146  -4.876  -3.725  10.246
 1018    HG1  THR 146           HG1      THR 146  -7.502  -3.407   9.330
 1019   HG21  THR 146          HG21      THR 146  -7.236  -1.931  10.991
 1020   HG22  THR 146          HG22      THR 146  -6.827  -3.489  11.740
 1021   HG23  THR 146          HG23      THR 146  -5.725  -2.113  11.908
 1022    H    ARG 147           H        ARG 147  -2.599  -1.712   9.551
 1023    HA   ARG 147           HA       ARG 147  -1.867  -2.608   6.806
 1024    HB2  ARG 147           HB2      ARG 147  -0.236  -0.971   6.615
 1025    HB3  ARG 147           HB3      ARG 147  -1.661  -0.135   7.181
 1026    HG2  ARG 147           HG2      ARG 147   0.869  -0.808   8.732
 1027    HG3  ARG 147           HG3      ARG 147   0.302   0.773   8.235
 1028    HD2  ARG 147           HD2      ARG 147  -0.816  -0.971  10.452
 1029    HD3  ARG 147           HD3      ARG 147   0.011   0.578  10.593
 1030    HE   ARG 147           HE       ARG 147  -2.296   0.955   8.969
 1031   HH11  ARG 147          HH11      ARG 147  -1.575   0.407  12.456
 1032   HH12  ARG 147          HH12      ARG 147  -3.154   1.056  12.873
 1033   HH21  ARG 147          HH21      ARG 147  -4.315   1.625   9.738
 1034   HH22  ARG 147          HH22      ARG 147  -4.543   1.758  11.479
 1035    H    TYR 148           H        TYR 148  -0.010  -3.801   6.526
 1036    HA   TYR 148           HA       TYR 148   1.307  -4.805   9.012
 1037    HB2  TYR 148           HB2      TYR 148  -0.006  -6.465   7.435
 1038    HB3  TYR 148           HB3      TYR 148   1.446  -6.447   6.449
 1039    HD1  TYR 148           HD1      TYR 148   0.057  -7.242   9.796
 1040    HD2  TYR 148           HD2      TYR 148   3.499  -7.504   7.212
 1041    HE1  TYR 148           HE1      TYR 148   1.098  -8.874  11.357
 1042    HE2  TYR 148           HE2      TYR 148   4.539  -9.145   8.773
 1043    HH   TYR 148           HH       TYR 148   2.945 -10.210  11.786
 1044    H    ALA 149           H        ALA 149   1.865  -2.949   6.103
 1045    HA   ALA 149           HA       ALA 149   4.367  -2.227   7.284
 1046    HB1  ALA 149           HB1      ALA 149   4.591  -3.538   4.544
 1047    HB2  ALA 149           HB2      ALA 149   5.904  -2.815   5.477
 1048    HB3  ALA 149           HB3      ALA 149   5.130  -4.289   6.066
 1049    H    CYS 150           H        CYS 150   5.547  -0.523   6.199
 1050    HA   CYS 150           HA       CYS 150   4.204   0.994   4.056
 1051    HB2  CYS 150           HB2      CYS 150   3.499   2.008   6.186
 1052    HB3  CYS 150           HB3      CYS 150   5.188   2.170   6.676
 1053    H    GLY 151           H        GLY 151   5.626   2.144   2.801
 1054    HA2  GLY 151           HA2      GLY 151   8.518   2.273   3.306
 1055    HA3  GLY 151           HA3      GLY 151   8.047   1.225   1.991
 1056    H    VAL 152           H        VAL 152   9.119   4.239   2.515
 1057    HA   VAL 152           HA       VAL 152   7.502   5.710   0.580
 1058    HB   VAL 152           HB       VAL 152   8.484   6.771   2.577
 1059   HG11  VAL 152          HG11      VAL 152  11.153   6.698   1.109
 1060   HG12  VAL 152          HG12      VAL 152  10.793   7.490   2.651
 1061   HG13  VAL 152          HG13      VAL 152  10.742   5.725   2.541
 1062   HG21  VAL 152          HG21      VAL 152   7.679   8.099   0.660
 1063   HG22  VAL 152          HG22      VAL 152   9.015   8.887   1.517
 1064   HG23  VAL 152          HG23      VAL 152   9.316   8.089  -0.034
 1065    H    ILE 153           H        ILE 153   8.015   6.366  -1.502
 1066    HA   ILE 153           HA       ILE 153   9.942   4.731  -2.995
 1067    HB   ILE 153           HB       ILE 153   8.039   6.957  -3.835
 1068   HG12  ILE 153          HG12      ILE 153   7.861   3.953  -4.351
 1069   HG13  ILE 153          HG13      ILE 153   7.043   4.738  -3.006
 1070   HG21  ILE 153          HG21      ILE 153   9.729   5.119  -5.594
 1071   HG22  ILE 153          HG22      ILE 153   8.461   6.214  -6.182
 1072   HG23  ILE 153          HG23      ILE 153   9.894   6.886  -5.441
 1073   HD11  ILE 153          HD11      ILE 153   6.489   5.239  -5.948
 1074   HD12  ILE 153          HD12      ILE 153   5.448   4.439  -4.770
 1075   HD13  ILE 153          HD13      ILE 153   5.778   6.171  -4.605
 1076    H    LYS 154           H        LYS 154  11.839   5.355  -3.913
 1077    HA   LYS 154           HA       LYS 154  12.689   8.210  -3.743
 1078    HB2  LYS 154           HB2      LYS 154  14.279   5.728  -2.945
 1079    HB3  LYS 154           HB3      LYS 154  15.060   7.257  -3.329
 1080    HG2  LYS 154           HG2      LYS 154  12.942   7.020  -1.144
 1081    HG3  LYS 154           HG3      LYS 154  14.660   6.760  -0.855
 1082    HD2  LYS 154           HD2      LYS 154  15.227   9.010  -1.507
 1083    HD3  LYS 154           HD3      LYS 154  13.566   9.351  -2.037
 1084    HE2  LYS 154           HE2      LYS 154  12.700   9.256   0.167
 1085    HE3  LYS 154           HE3      LYS 154  14.174   8.527   0.823
 1086    HZ1  LYS 154           HZ1      LYS 154  14.189  11.243  -0.364
 1087    HZ2  LYS 154           HZ2      LYS 154  13.901  10.988   1.233
 1088    HZ3  LYS 154           HZ3      LYS 154  15.331  10.563   0.583
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1  12.593  -1.698 -15.001
    2    H2   ALA   1           H2       ALA   1  12.762  -0.933 -16.440
    3    H3   ALA   1           H3       ALA   1  11.549  -0.557 -15.425
    4    HA   ALA   1           HA       ALA   1  14.409  -0.134 -14.876
    5    HB1  ALA   1           HB1      ALA   1  12.224   1.938 -15.403
    6    HB2  ALA   1           HB2      ALA   1  13.921   2.278 -14.997
    7    HB3  ALA   1           HB3      ALA   1  13.521   1.484 -16.529
    8    H    SER   2           H        SER   2  14.818   0.920 -12.686
    9    HA   SER   2           HA       SER   2  13.026  -0.860 -11.085
   10    HB2  SER   2           HB2      SER   2  15.985  -0.560 -10.886
   11    HB3  SER   2           HB3      SER   2  14.996  -1.896 -10.294
   12    HG   SER   2           HG       SER   2  16.269  -2.161 -12.325
   13    H    GLU   3           H        GLU   3  12.386  -0.322  -9.087
   14    HA   GLU   3           HA       GLU   3  14.261   1.147  -7.446
   15    HB2  GLU   3           HB2      GLU   3  12.894   2.976  -8.351
   16    HB3  GLU   3           HB3      GLU   3  11.426   2.176  -7.737
   17    HG2  GLU   3           HG2      GLU   3  12.079   4.003  -6.301
   18    HG3  GLU   3           HG3      GLU   3  12.221   2.455  -5.449
   19    H    LYS   4           H        LYS   4  14.461   0.438  -5.461
   20    HA   LYS   4           HA       LYS   4  12.875  -1.955  -4.831
   21    HB2  LYS   4           HB2      LYS   4  15.213  -2.037  -5.669
   22    HB3  LYS   4           HB3      LYS   4  15.741  -0.984  -4.364
   23    HG2  LYS   4           HG2      LYS   4  15.210  -2.660  -2.717
   24    HG3  LYS   4           HG3      LYS   4  14.587  -3.755  -3.973
   25    HD2  LYS   4           HD2      LYS   4  17.446  -2.670  -3.890
   26    HD3  LYS   4           HD3      LYS   4  16.990  -4.227  -3.195
   27    HE2  LYS   4           HE2      LYS   4  16.442  -5.171  -5.309
   28    HE3  LYS   4           HE3      LYS   4  16.401  -3.595  -6.110
   29    HZ1  LYS   4           HZ1      LYS   4  18.904  -4.774  -5.029
   30    HZ2  LYS   4           HZ2      LYS   4  18.435  -4.871  -6.590
   31    HZ3  LYS   4           HZ3      LYS   4  18.755  -3.417  -5.960
   32    H    VAL   5           H        VAL   5  11.242  -1.219  -3.448
   33    HA   VAL   5           HA       VAL   5  11.929   0.948  -1.562
   34    HB   VAL   5           HB       VAL   5   9.293  -0.274  -2.428
   35   HG11  VAL   5          HG11      VAL   5   9.807   1.980  -0.434
   36   HG12  VAL   5          HG12      VAL   5   8.230   1.620  -1.166
   37   HG13  VAL   5          HG13      VAL   5   8.990   0.438  -0.108
   38   HG21  VAL   5          HG21      VAL   5  10.412   1.137  -4.112
   39   HG22  VAL   5          HG22      VAL   5   9.015   1.992  -3.468
   40   HG23  VAL   5          HG23      VAL   5  10.641   2.430  -2.916
   41    H    GLY   6           H        GLY   6  12.479   0.632   0.424
   42    HA2  GLY   6           HA2      GLY   6  12.312  -1.914   1.834
   43    HA3  GLY   6           HA3      GLY   6  12.896  -0.357   2.482
   44    H    MET   7           H        MET   7  10.377  -2.595   2.390
   45    HA   MET   7           HA       MET   7   8.228  -0.834   3.397
   46    HB2  MET   7           HB2      MET   7   8.551  -3.723   2.600
   47    HB3  MET   7           HB3      MET   7   7.151  -3.248   3.590
   48    HG2  MET   7           HG2      MET   7   7.887  -1.806   1.021
   49    HG3  MET   7           HG3      MET   7   6.854  -3.241   1.048
   50    HE1  MET   7           HE1      MET   7   5.181  -1.925  -0.257
   51    HE2  MET   7           HE2      MET   7   4.316  -0.481   0.309
   52    HE3  MET   7           HE3      MET   7   6.027  -0.358  -0.151
   53    H    ASN   8           H        ASN   8   8.320  -0.174   5.411
   54    HA   ASN   8           HA       ASN   8   9.624  -1.856   7.487
   55    HB2  ASN   8           HB2      ASN   8  10.207   0.606   6.955
   56    HB3  ASN   8           HB3      ASN   8   8.724   1.012   7.847
   57   HD21  ASN   8          HD21      ASN   8  12.046   0.075   8.053
   58   HD22  ASN   8          HD22      ASN   8  12.110  -0.210   9.788
   59    H    LEU   9           H        LEU   9   8.600  -2.429   9.389
   60    HA   LEU   9           HA       LEU   9   5.735  -2.847   9.162
   61    HB2  LEU   9           HB2      LEU   9   7.704  -3.645  11.347
   62    HB3  LEU   9           HB3      LEU   9   6.051  -4.227  11.187
   63    HG   LEU   9           HG       LEU   9   8.349  -4.788   9.256
   64   HD11  LEU   9          HD11      LEU   9   6.812  -6.580  11.186
   65   HD12  LEU   9          HD12      LEU   9   8.067  -7.111  10.049
   66   HD13  LEU   9          HD13      LEU   9   8.488  -6.018  11.376
   67   HD21  LEU   9          HD21      LEU   9   6.310  -4.669   7.946
   68   HD22  LEU   9          HD22      LEU   9   6.733  -6.367   8.166
   69   HD23  LEU   9          HD23      LEU   9   5.435  -5.651   9.146
   70    H    VAL  10           H        VAL  10   5.580  -0.365   9.174
   71    HA   VAL  10           HA       VAL  10   5.754   1.059  11.599
   72    HB   VAL  10           HB       VAL  10   4.594   2.849  10.683
   73   HG11  VAL  10          HG11      VAL  10   5.715   1.517   8.192
   74   HG12  VAL  10          HG12      VAL  10   5.691   3.238   8.610
   75   HG13  VAL  10          HG13      VAL  10   6.745   2.130   9.495
   76   HG21  VAL  10          HG21      VAL  10   2.452   1.977   9.967
   77   HG22  VAL  10          HG22      VAL  10   3.194   2.780   8.599
   78   HG23  VAL  10          HG23      VAL  10   3.215   1.007   8.684
   79    H    THR  11           H        THR  11   4.467   1.398  13.372
   80    HA   THR  11           HA       THR  11   1.655   0.987  13.174
   81    HB   THR  11           HB       THR  11   2.257  -1.382  13.501
   82    HG1  THR  11           HG1      THR  11   0.877  -1.396  15.566
   83   HG21  THR  11          HG21      THR  11   3.092  -0.522  16.320
   84   HG22  THR  11          HG22      THR  11   3.069  -2.167  15.644
   85   HG23  THR  11          HG23      THR  11   4.238  -0.983  15.041
   86    H    ALA  12           H        ALA  12   0.552   1.893  14.585
   87    HA   ALA  12           HA       ALA  12  -0.011   3.939  15.474
   88    HB1  ALA  12           HB1      ALA  12   0.608   1.912  17.631
   89    HB2  ALA  12           HB2      ALA  12  -0.359   3.372  17.907
   90    HB3  ALA  12           HB3      ALA  12  -0.908   2.178  16.718
   91    H    GLN  13           H        GLN  13   3.160   3.225  16.895
   92    HA   GLN  13           HA       GLN  13   3.533   6.070  17.732
   93    HB2  GLN  13           HB2      GLN  13   5.070   3.451  18.002
   94    HB3  GLN  13           HB3      GLN  13   5.912   5.001  18.029
   95    HG2  GLN  13           HG2      GLN  13   5.577   4.245  20.276
   96    HG3  GLN  13           HG3      GLN  13   4.745   5.786  19.958
   97   HE21  GLN  13          HE21      GLN  13   2.410   5.790  19.781
   98   HE22  GLN  13          HE22      GLN  13   1.534   4.283  20.056
   99    H    GLY  14           H        GLY  14   4.178   3.903  15.024
  100    HA2  GLY  14           HA2      GLY  14   4.451   5.158  12.852
  101    HA3  GLY  14           HA3      GLY  14   5.765   6.057  13.656
  102    H    VAL  15           H        VAL  15   7.456   5.339  12.493
  103    HA   VAL  15           HA       VAL  15   7.771   2.911  11.205
  104    HB   VAL  15           HB       VAL  15  10.054   4.651  12.210
  105   HG11  VAL  15          HG11      VAL  15   9.835   2.854   9.744
  106   HG12  VAL  15          HG12      VAL  15  11.251   3.815  10.223
  107   HG13  VAL  15          HG13      VAL  15  10.740   2.443  11.214
  108   HG21  VAL  15          HG21      VAL  15   8.468   6.090  11.037
  109   HG22  VAL  15          HG22      VAL  15   9.866   5.805  10.004
  110   HG23  VAL  15          HG23      VAL  15   8.352   4.928   9.696
  111    H    GLY  16           H        GLY  16   8.416   0.921  11.670
  112    HA2  GLY  16           HA2      GLY  16   8.977   0.161  14.511
  113    HA3  GLY  16           HA3      GLY  16   8.201  -0.845  13.257
  114    H    GLN  17           H        GLN  17   9.435  -2.255  12.193
  115    HA   GLN  17           HA       GLN  17  12.350  -1.835  11.941
  116    HB2  GLN  17           HB2      GLN  17  12.916  -4.076  12.492
  117    HB3  GLN  17           HB3      GLN  17  12.050  -3.405  13.864
  118    HG2  GLN  17           HG2      GLN  17  10.216  -4.813  13.595
  119    HG3  GLN  17           HG3      GLN  17  10.449  -4.990  11.844
  120   HE21  GLN  17          HE21      GLN  17  12.349  -6.339  11.062
  121   HE22  GLN  17          HE22      GLN  17  12.750  -7.706  12.093
  122    H    SER  18           H        SER  18  13.247  -3.456  10.255
  123    HA   SER  18           HA       SER  18  11.252  -3.834   8.059
  124    HB2  SER  18           HB2      SER  18  12.727  -2.173   7.350
  125    HB3  SER  18           HB3      SER  18  14.135  -2.962   8.087
  126    HG   SER  18           HG       SER  18  14.370  -3.517   6.032
  127    H    ILE  19           H        ILE  19  11.595  -5.592   6.647
  128    HA   ILE  19           HA       ILE  19  12.907  -8.057   7.684
  129    HB   ILE  19           HB       ILE  19  10.775  -9.314   7.538
  130   HG12  ILE  19          HG12      ILE  19   9.173  -6.763   7.746
  131   HG13  ILE  19          HG13      ILE  19   9.726  -7.262   6.141
  132   HG21  ILE  19          HG21      ILE  19  10.622  -7.124   9.632
  133   HG22  ILE  19          HG22      ILE  19   9.860  -8.720   9.688
  134   HG23  ILE  19          HG23      ILE  19  11.622  -8.593   9.729
  135   HD11  ILE  19          HD11      ILE  19   8.011  -8.918   7.994
  136   HD12  ILE  19          HD12      ILE  19   7.539  -8.157   6.457
  137   HD13  ILE  19          HD13      ILE  19   8.713  -9.488   6.452
  138    H    GLY  20           H        GLY  20  12.670  -6.166   5.153
  139    HA2  GLY  20           HA2      GLY  20  13.313  -7.637   2.987
  140    HA3  GLY  20           HA3      GLY  20  11.585  -7.971   3.103
  141    H    THR  21           H        THR  21  12.704  -6.683   0.867
  142    HA   THR  21           HA       THR  21  11.427  -3.966   1.025
  143    HB   THR  21           HB       THR  21  12.645  -3.234  -0.801
  144    HG1  THR  21           HG1      THR  21  13.493  -5.911  -1.209
  145   HG21  THR  21          HG21      THR  21  14.707  -4.951   0.617
  146   HG22  THR  21          HG22      THR  21  14.960  -3.447  -0.284
  147   HG23  THR  21          HG23      THR  21  14.067  -3.415   1.246
  148    H    VAL  22           H        VAL  22  10.450  -3.494  -1.229
  149    HA   VAL  22           HA       VAL  22   9.569  -5.945  -2.635
  150    HB   VAL  22           HB       VAL  22   7.843  -3.420  -2.493
  151   HG11  VAL  22          HG11      VAL  22   7.573  -6.068  -3.985
  152   HG12  VAL  22          HG12      VAL  22   6.264  -4.936  -3.795
  153   HG13  VAL  22          HG13      VAL  22   7.699  -4.446  -4.701
  154   HG21  VAL  22          HG21      VAL  22   7.588  -4.760  -0.420
  155   HG22  VAL  22          HG22      VAL  22   6.135  -4.839  -1.422
  156   HG23  VAL  22          HG23      VAL  22   7.264  -6.208  -1.394
  157    H    VAL  23           H        VAL  23  10.317  -5.905  -4.700
  158    HA   VAL  23           HA       VAL  23  11.641  -3.390  -5.576
  159    HB   VAL  23           HB       VAL  23  12.840  -5.513  -5.683
  160   HG11  VAL  23          HG11      VAL  23  12.722  -6.949  -7.653
  161   HG12  VAL  23          HG12      VAL  23  11.467  -7.151  -6.452
  162   HG13  VAL  23          HG13      VAL  23  11.110  -6.297  -7.996
  163   HG21  VAL  23          HG21      VAL  23  13.501  -3.448  -6.917
  164   HG22  VAL  23          HG22      VAL  23  14.000  -4.905  -7.773
  165   HG23  VAL  23          HG23      VAL  23  12.576  -4.004  -8.323
  166    H    ILE  24           H        ILE  24  10.723  -2.005  -6.881
  167    HA   ILE  24           HA       ILE  24   8.358  -2.835  -8.491
  168    HB   ILE  24           HB       ILE  24   9.330  -0.036  -7.785
  169   HG12  ILE  24          HG12      ILE  24   7.219  -1.843  -6.594
  170   HG13  ILE  24          HG13      ILE  24   8.328  -0.926  -5.707
  171   HG21  ILE  24          HG21      ILE  24   6.895  -1.100  -9.285
  172   HG22  ILE  24          HG22      ILE  24   7.192   0.616  -8.915
  173   HG23  ILE  24          HG23      ILE  24   8.259  -0.233 -10.017
  174   HD11  ILE  24          HD11      ILE  24   5.916   0.226  -7.064
  175   HD12  ILE  24          HD12      ILE  24   6.358   0.156  -5.354
  176   HD13  ILE  24          HD13      ILE  24   7.286   1.203  -6.429
  177    H    ASP  25           H        ASP  25   8.819  -3.410 -10.495
  178    HA   ASP  25           HA       ASP  25  11.020  -1.986 -11.923
  179    HB2  ASP  25           HB2      ASP  25  11.630  -4.241 -11.551
  180    HB3  ASP  25           HB3      ASP  25  10.099  -4.838 -12.240
  181    H    GLU  26           H        GLU  26  10.208  -0.560 -13.130
  182    HA   GLU  26           HA       GLU  26   7.623  -0.273 -14.278
  183    HB2  GLU  26           HB2      GLU  26  10.000   1.232 -14.102
  184    HB3  GLU  26           HB3      GLU  26   9.902   0.887 -15.839
  185    HG2  GLU  26           HG2      GLU  26   7.901   2.152 -14.040
  186    HG3  GLU  26           HG3      GLU  26   8.836   2.957 -15.304
  187    H    THR  27           H        THR  27   6.680  -1.175 -16.127
  188    HA   THR  27           HA       THR  27   8.403  -1.943 -18.237
  189    HB   THR  27           HB       THR  27   8.863  -3.837 -16.724
  190    HG1  THR  27           HG1      THR  27   8.016  -5.607 -18.007
  191   HG21  THR  27          HG21      THR  27   5.875  -4.410 -16.774
  192   HG22  THR  27          HG22      THR  27   7.136  -5.443 -16.050
  193   HG23  THR  27          HG23      THR  27   6.836  -3.853 -15.389
  194    H    GLU  28           H        GLU  28   6.915  -3.764 -19.649
  195    HA   GLU  28           HA       GLU  28   4.993  -2.194 -21.010
  196    HB2  GLU  28           HB2      GLU  28   4.425  -4.210 -22.234
  197    HB3  GLU  28           HB3      GLU  28   6.181  -4.070 -22.016
  198    HG2  GLU  28           HG2      GLU  28   5.930  -5.714 -20.054
  199    HG3  GLU  28           HG3      GLU  28   4.273  -5.977 -20.601
  200    H    GLY  29           H        GLY  29   4.559  -4.298 -18.232
  201    HA2  GLY  29           HA2      GLY  29   1.636  -3.801 -18.196
  202    HA3  GLY  29           HA3      GLY  29   2.513  -4.945 -17.130
  203    H    GLY  30           H        GLY  30   3.879  -1.850 -17.504
  204    HA2  GLY  30           HA2      GLY  30   3.908   0.137 -16.148
  205    HA3  GLY  30           HA3      GLY  30   2.522  -0.480 -15.252
  206    H    LEU  31           H        LEU  31   3.194  -0.254 -13.260
  207    HA   LEU  31           HA       LEU  31   5.878  -0.946 -12.397
  208    HB2  LEU  31           HB2      LEU  31   3.384  -0.245 -10.815
  209    HB3  LEU  31           HB3      LEU  31   5.018  -0.318 -10.147
  210    HG   LEU  31           HG       LEU  31   3.964   1.641 -12.244
  211   HD11  LEU  31          HD11      LEU  31   4.917   2.094  -9.390
  212   HD12  LEU  31          HD12      LEU  31   4.315   3.335 -10.508
  213   HD13  LEU  31          HD13      LEU  31   3.221   2.065  -9.914
  214   HD21  LEU  31          HD21      LEU  31   6.289   1.181 -12.787
  215   HD22  LEU  31          HD22      LEU  31   6.137   2.797 -12.079
  216   HD23  LEU  31          HD23      LEU  31   6.771   1.460 -11.105
  217    H    LYS  32           H        LYS  32   6.540  -3.025 -12.423
  218    HA   LYS  32           HA       LYS  32   4.774  -5.187 -11.508
  219    HB2  LYS  32           HB2      LYS  32   6.401  -5.317 -13.485
  220    HB3  LYS  32           HB3      LYS  32   7.688  -5.440 -12.291
  221    HG2  LYS  32           HG2      LYS  32   6.290  -7.411 -11.280
  222    HG3  LYS  32           HG3      LYS  32   5.322  -7.293 -12.745
  223    HD2  LYS  32           HD2      LYS  32   6.819  -8.975 -13.277
  224    HD3  LYS  32           HD3      LYS  32   7.581  -7.566 -14.033
  225    HE2  LYS  32           HE2      LYS  32   9.038  -7.319 -12.007
  226    HE3  LYS  32           HE3      LYS  32   8.214  -8.715 -11.261
  227    HZ1  LYS  32           HZ1      LYS  32   9.972  -8.739 -13.637
  228    HZ2  LYS  32           HZ2      LYS  32  10.225  -9.472 -12.225
  229    HZ3  LYS  32           HZ3      LYS  32   9.032 -10.038 -13.200
  230    H    PHE  33           H        PHE  33   4.488  -5.427  -9.428
  231    HA   PHE  33           HA       PHE  33   6.439  -4.592  -7.359
  232    HB2  PHE  33           HB2      PHE  33   3.740  -4.354  -7.637
  233    HB3  PHE  33           HB3      PHE  33   3.722  -5.952  -6.903
  234    HD1  PHE  33           HD1      PHE  33   5.366  -2.636  -6.386
  235    HD2  PHE  33           HD2      PHE  33   3.215  -5.909  -4.626
  236    HE1  PHE  33           HE1      PHE  33   5.451  -1.485  -4.153
  237    HE2  PHE  33           HE2      PHE  33   3.205  -4.720  -2.435
  238    HZ   PHE  33           HZ       PHE  33   4.355  -2.551  -2.187
  239    H    THR  34           H        THR  34   8.162  -6.156  -7.042
  240    HA   THR  34           HA       THR  34   7.227  -9.009  -6.828
  241    HB   THR  34           HB       THR  34  10.056  -8.245  -7.444
  242    HG1  THR  34           HG1      THR  34   8.680  -7.453  -9.035
  243   HG21  THR  34          HG21      THR  34   8.392 -10.774  -7.793
  244   HG22  THR  34          HG22      THR  34  10.090 -10.564  -8.285
  245   HG23  THR  34          HG23      THR  34   9.652 -10.507  -6.570
  246    HA   PRO  35           HA       PRO  35   8.402  -7.829  -2.608
  247    HB2  PRO  35           HB2      PRO  35   6.813  -9.558  -1.252
  248    HB3  PRO  35           HB3      PRO  35   6.108  -8.179  -2.160
  249    HG2  PRO  35           HG2      PRO  35   6.432 -11.043  -3.057
  250    HG3  PRO  35           HG3      PRO  35   4.944 -10.055  -3.136
  251    HD2  PRO  35           HD2      PRO  35   6.668 -10.405  -5.243
  252    HD3  PRO  35           HD3      PRO  35   5.760  -8.871  -4.984
  253    H    HIS  36           H        HIS  36   9.508  -8.901  -0.854
  254    HA   HIS  36           HA       HIS  36  10.316 -11.690  -1.194
  255    HB2  HIS  36           HB2      HIS  36  12.599 -11.503  -1.603
  256    HB3  HIS  36           HB3      HIS  36  11.865 -10.373  -2.743
  257    HD1  HIS  36           HD1      HIS  36  14.837 -10.454  -0.803
  258    HD2  HIS  36           HD2      HIS  36  11.802  -7.676  -1.489
  259    HE1  HIS  36           HE1      HIS  36  15.786  -8.227  -0.007
  260    H    LEU  37           H        LEU  37   8.813 -10.486   0.764
  261    HA   LEU  37           HA       LEU  37  10.573 -10.083   3.140
  262    HB2  LEU  37           HB2      LEU  37   7.576  -9.628   3.043
  263    HB3  LEU  37           HB3      LEU  37   8.773  -9.053   4.215
  264    HG   LEU  37           HG       LEU  37   9.695  -7.881   1.887
  265   HD11  LEU  37          HD11      LEU  37   6.639  -7.850   1.781
  266   HD12  LEU  37          HD12      LEU  37   7.728  -6.873   0.785
  267   HD13  LEU  37          HD13      LEU  37   7.714  -8.633   0.604
  268   HD21  LEU  37          HD21      LEU  37   9.465  -6.785   4.033
  269   HD22  LEU  37          HD22      LEU  37   8.702  -5.827   2.767
  270   HD23  LEU  37          HD23      LEU  37   7.687  -6.770   3.885
  271    H    LYS  38           H        LYS  38  10.365 -11.296   4.979
  272    HA   LYS  38           HA       LYS  38   8.970 -13.919   4.595
  273    HB2  LYS  38           HB2      LYS  38  10.965 -15.005   5.510
  274    HB3  LYS  38           HB3      LYS  38  11.258 -14.138   4.034
  275    HG2  LYS  38           HG2      LYS  38  11.869 -12.284   6.161
  276    HG3  LYS  38           HG3      LYS  38  12.505 -13.864   6.664
  277    HD2  LYS  38           HD2      LYS  38  14.244 -12.687   5.440
  278    HD3  LYS  38           HD3      LYS  38  13.682 -14.053   4.454
  279    HE2  LYS  38           HE2      LYS  38  12.037 -12.358   3.376
  280    HE3  LYS  38           HE3      LYS  38  12.978 -11.092   4.162
  281    HZ1  LYS  38           HZ1      LYS  38  14.004 -13.079   2.188
  282    HZ2  LYS  38           HZ2      LYS  38  13.615 -11.535   1.873
  283    HZ3  LYS  38           HZ3      LYS  38  14.909 -11.874   2.862
  284    H    ALA  39           H        ALA  39   8.018 -11.677   6.300
  285    HA   ALA  39           HA       ALA  39   7.285 -13.334   8.599
  286    HB1  ALA  39           HB1      ALA  39   8.975 -10.829   9.007
  287    HB2  ALA  39           HB2      ALA  39   8.173 -11.754  10.294
  288    HB3  ALA  39           HB3      ALA  39   9.463 -12.501   9.342
  289    H    LEU  40           H        LEU  40   5.435 -12.744   6.918
  290    HA   LEU  40           HA       LEU  40   3.888 -10.544   8.205
  291    HB2  LEU  40           HB2      LEU  40   2.847 -11.271   5.522
  292    HB3  LEU  40           HB3      LEU  40   2.948  -9.785   6.363
  293    HG   LEU  40           HG       LEU  40   5.480  -9.728   5.681
  294   HD11  LEU  40          HD11      LEU  40   4.476 -11.998   3.934
  295   HD12  LEU  40          HD12      LEU  40   5.840 -10.982   3.466
  296   HD13  LEU  40          HD13      LEU  40   5.945 -11.946   4.929
  297   HD21  LEU  40          HD21      LEU  40   3.690  -8.317   4.676
  298   HD22  LEU  40          HD22      LEU  40   4.876  -8.817   3.463
  299   HD23  LEU  40          HD23      LEU  40   3.300  -9.633   3.543
  300    HA   PRO  41           HA       PRO  41   0.806 -13.594   8.982
  301    HB2  PRO  41           HB2      PRO  41  -1.602 -12.298   8.398
  302    HB3  PRO  41           HB3      PRO  41  -0.674 -12.132   9.913
  303    HG2  PRO  41           HG2      PRO  41  -0.574 -10.396   7.482
  304    HG3  PRO  41           HG3      PRO  41  -0.750  -9.883   9.194
  305    HD2  PRO  41           HD2      PRO  41   1.672  -9.797   8.086
  306    HD3  PRO  41           HD3      PRO  41   1.436 -10.572   9.692
  307    HA   PRO  42           HA       PRO  42   1.147 -15.443   5.199
  308    HB2  PRO  42           HB2      PRO  42   0.380 -17.973   5.740
  309    HB3  PRO  42           HB3      PRO  42   1.476 -17.080   6.827
  310    HG2  PRO  42           HG2      PRO  42  -1.541 -17.250   7.125
  311    HG3  PRO  42           HG3      PRO  42  -0.300 -17.811   8.299
  312    HD2  PRO  42           HD2      PRO  42  -1.322 -15.278   8.428
  313    HD3  PRO  42           HD3      PRO  42   0.409 -15.621   8.768
  314    H    GLY  43           H        GLY  43  -1.373 -13.944   5.142
  315    HA2  GLY  43           HA2      GLY  43  -3.229 -15.612   3.479
  316    HA3  GLY  43           HA3      GLY  43  -3.651 -14.144   4.379
  317    H    GLU  44           H        GLU  44  -4.447 -12.916   2.939
  318    HA   GLU  44           HA       GLU  44  -2.920 -12.178   0.476
  319    HB2  GLU  44           HB2      GLU  44  -5.942 -12.093   0.932
  320    HB3  GLU  44           HB3      GLU  44  -5.119 -11.651  -0.558
  321    HG2  GLU  44           HG2      GLU  44  -4.569 -13.941  -1.052
  322    HG3  GLU  44           HG3      GLU  44  -5.037 -14.483   0.576
  323    H    HIS  45           H        HIS  45  -2.477 -10.027   0.282
  324    HA   HIS  45           HA       HIS  45  -3.655  -8.101   2.271
  325    HB2  HIS  45           HB2      HIS  45  -0.843  -8.509   1.179
  326    HB3  HIS  45           HB3      HIS  45  -1.296  -6.996   1.956
  327    HD1  HIS  45           HD1      HIS  45  -2.569  -7.614   4.558
  328    HD2  HIS  45           HD2      HIS  45  -0.371 -10.497   2.565
  329    HE1  HIS  45           HE1      HIS  45  -2.228  -9.505   6.252
  330    HE2  HIS  45           HE2      HIS  45  -0.728 -11.274   5.063
  331    H    GLY  46           H        GLY  46  -4.357  -6.118   1.600
  332    HA2  GLY  46           HA2      GLY  46  -4.540  -5.457  -1.191
  333    HA3  GLY  46           HA3      GLY  46  -4.824  -4.343   0.174
  334    H    PHE  47           H        PHE  47  -3.428  -3.847  -2.385
  335    HA   PHE  47           HA       PHE  47  -0.829  -2.841  -1.276
  336    HB2  PHE  47           HB2      PHE  47  -0.382  -4.566  -2.789
  337    HB3  PHE  47           HB3      PHE  47  -1.599  -3.998  -3.937
  338    HD1  PHE  47           HD1      PHE  47   0.927  -1.597  -2.518
  339    HD2  PHE  47           HD2      PHE  47   0.037  -4.423  -5.640
  340    HE1  PHE  47           HE1      PHE  47   2.685  -0.551  -3.990
  341    HE2  PHE  47           HE2      PHE  47   1.670  -3.269  -7.150
  342    HZ   PHE  47           HZ       PHE  47   2.890  -1.294  -6.357
  343    H    HIS  48           H        HIS  48  -1.198  -0.601  -0.904
  344    HA   HIS  48           HA       HIS  48  -2.618   0.934  -3.102
  345    HB2  HIS  48           HB2      HIS  48  -2.225   1.756  -0.213
  346    HB3  HIS  48           HB3      HIS  48  -2.937   2.758  -1.462
  347    HD2  HIS  48           HD2      HIS  48  -4.789  -0.151  -2.351
  348    HE1  HIS  48           HE1      HIS  48  -6.660   0.867   1.315
  349    HE2  HIS  48           HE2      HIS  48  -6.832  -0.529  -0.792
  350    H    ILE  49           H        ILE  49  -1.933   3.032  -3.601
  351    HA   ILE  49           HA       ILE  49   0.847   3.934  -2.919
  352    HB   ILE  49           HB       ILE  49  -0.903   4.571  -5.323
  353   HG12  ILE  49          HG12      ILE  49   1.982   3.601  -5.296
  354   HG13  ILE  49          HG13      ILE  49   0.623   2.460  -5.285
  355   HG21  ILE  49          HG21      ILE  49   1.722   5.907  -4.480
  356   HG22  ILE  49          HG22      ILE  49   0.921   6.140  -6.045
  357   HG23  ILE  49          HG23      ILE  49   0.121   6.687  -4.588
  358   HD11  ILE  49          HD11      ILE  49   1.231   4.483  -7.481
  359   HD12  ILE  49          HD12      ILE  49   1.418   2.723  -7.547
  360   HD13  ILE  49          HD13      ILE  49  -0.202   3.440  -7.416
  361    H    HIS  50           H        HIS  50   1.005   6.072  -2.159
  362    HA   HIS  50           HA       HIS  50  -1.479   7.343  -1.148
  363    HB2  HIS  50           HB2      HIS  50   0.765   6.141   0.450
  364    HB3  HIS  50           HB3      HIS  50   0.086   7.658   1.005
  365    HD1  HIS  50           HD1      HIS  50  -1.967   7.445   2.522
  366    HD2  HIS  50           HD2      HIS  50  -1.293   4.112   0.076
  367    HE1  HIS  50           HE1      HIS  50  -3.584   5.634   3.355
  368    H    ALA  51           H        ALA  51  -1.316   9.556  -0.729
  369    HA   ALA  51           HA       ALA  51  -0.055  10.717  -2.937
  370    HB1  ALA  51           HB1      ALA  51  -1.374  12.138  -0.590
  371    HB2  ALA  51           HB2      ALA  51  -1.143  12.786  -2.222
  372    HB3  ALA  51           HB3      ALA  51  -2.237  11.410  -1.967
  373    H    ASN  52           H        ASN  52   1.023  11.008   0.423
  374    HA   ASN  52           HA       ASN  52   3.472  12.460  -0.570
  375    HB2  ASN  52           HB2      ASN  52   2.129  12.554   2.151
  376    HB3  ASN  52           HB3      ASN  52   3.667  13.322   1.767
  377   HD21  ASN  52          HD21      ASN  52   0.266  13.723   1.744
  378   HD22  ASN  52          HD22      ASN  52   0.212  15.193   0.786
  379    H    GLY  53           H        GLY  53   5.506  11.799   0.090
  380    HA2  GLY  53           HA2      GLY  53   5.857   9.044   0.971
  381    HA3  GLY  53           HA3      GLY  53   7.110  10.226   0.547
  382    H    SER  54           H        SER  54   4.757   9.471   3.170
  383    HA   SER  54           HA       SER  54   6.866   9.518   5.183
  384    HB2  SER  54           HB2      SER  54   6.501  11.961   4.840
  385    HB3  SER  54           HB3      SER  54   4.817  11.752   5.346
  386    HG   SER  54           HG       SER  54   6.256  12.390   7.057
  387    H    CYS  55           H        CYS  55   6.100   7.427   5.752
  388    HA   CYS  55           HA       CYS  55   3.522   6.644   6.290
  389    HB2  CYS  55           HB2      CYS  55   6.131   5.612   7.456
  390    HB3  CYS  55           HB3      CYS  55   4.637   4.709   7.256
  391    H    GLN  56           H        GLN  56   4.081   9.128   7.949
  392    HA   GLN  56           HA       GLN  56   4.461   8.174  10.692
  393    HB2  GLN  56           HB2      GLN  56   4.137  10.975   9.604
  394    HB3  GLN  56           HB3      GLN  56   4.506  10.576  11.267
  395    HG2  GLN  56           HG2      GLN  56   6.281   9.749   8.918
  396    HG3  GLN  56           HG3      GLN  56   6.475  11.248   9.810
  397   HE21  GLN  56          HE21      GLN  56   8.663   9.590   9.739
  398   HE22  GLN  56          HE22      GLN  56   8.905   9.014  11.361
  399    HA   PRO  57           HA       PRO  57   0.036   8.711  11.730
  400    HB2  PRO  57           HB2      PRO  57  -0.077   7.155  13.917
  401    HB3  PRO  57           HB3      PRO  57   0.280   6.422  12.326
  402    HG2  PRO  57           HG2      PRO  57   2.262   7.230  14.478
  403    HG3  PRO  57           HG3      PRO  57   2.147   5.670  13.603
  404    HD2  PRO  57           HD2      PRO  57   3.821   7.767  12.858
  405    HD3  PRO  57           HD3      PRO  57   3.167   6.559  11.706
  406    H    ALA  58           H        ALA  58  -1.133   9.434  13.718
  407    HA   ALA  58           HA       ALA  58   0.496  10.790  15.798
  408    HB1  ALA  58           HB1      ALA  58  -2.070  11.843  14.518
  409    HB2  ALA  58           HB2      ALA  58  -1.220  12.570  15.899
  410    HB3  ALA  58           HB3      ALA  58  -0.442  12.521  14.304
  411    H    ILE  59           H        ILE  59  -0.418  10.742  17.877
  412    HA   ILE  59           HA       ILE  59  -2.774   8.967  18.370
  413    HB   ILE  59           HB       ILE  59  -1.094  10.503  20.393
  414   HG12  ILE  59          HG12      ILE  59   0.376   8.842  19.496
  415   HG13  ILE  59          HG13      ILE  59  -0.147   8.338  21.093
  416   HG21  ILE  59          HG21      ILE  59  -3.268   8.383  20.707
  417   HG22  ILE  59          HG22      ILE  59  -2.252   9.002  22.027
  418   HG23  ILE  59          HG23      ILE  59  -3.356  10.089  21.184
  419   HD11  ILE  59          HD11      ILE  59  -1.119   7.242  18.428
  420   HD12  ILE  59          HD12      ILE  59  -0.065   6.431  19.591
  421   HD13  ILE  59          HD13      ILE  59  -1.758   6.737  20.017
  422    H    LYS  60           H        LYS  60  -4.662   9.921  18.018
  423    HA   LYS  60           HA       LYS  60  -5.069  12.794  18.718
  424    HB2  LYS  60           HB2      LYS  60  -4.372  12.522  16.329
  425    HB3  LYS  60           HB3      LYS  60  -5.774  11.483  16.050
  426    HG2  LYS  60           HG2      LYS  60  -7.300  13.306  16.371
  427    HG3  LYS  60           HG3      LYS  60  -6.046  14.316  17.109
  428    HD2  LYS  60           HD2      LYS  60  -6.510  15.118  14.877
  429    HD3  LYS  60           HD3      LYS  60  -4.860  14.495  14.970
  430    HE2  LYS  60           HE2      LYS  60  -5.622  12.376  13.871
  431    HE3  LYS  60           HE3      LYS  60  -7.263  13.047  13.768
  432    HZ1  LYS  60           HZ1      LYS  60  -4.831  14.013  12.369
  433    HZ2  LYS  60           HZ2      LYS  60  -6.091  13.407  11.678
  434    HZ3  LYS  60           HZ3      LYS  60  -6.262  14.882  12.404
  435    H    ASP  61           H        ASP  61  -6.876  12.997  19.926
  436    HA   ASP  61           HA       ASP  61  -8.647  12.386  21.221
  437    HB2  ASP  61           HB2      ASP  61  -9.666  11.192  18.613
  438    HB3  ASP  61           HB3      ASP  61 -10.639  11.530  20.045
  439    H    GLY  62           H        GLY  62  -6.498  10.735  21.616
  440    HA2  GLY  62           HA2      GLY  62  -6.034   8.966  23.010
  441    HA3  GLY  62           HA3      GLY  62  -7.771   8.599  23.063
  442    H    GLN  63           H        GLN  63  -6.586   8.546  19.839
  443    HA   GLN  63           HA       GLN  63  -5.922   5.653  19.916
  444    HB2  GLN  63           HB2      GLN  63  -7.538   5.141  18.168
  445    HB3  GLN  63           HB3      GLN  63  -8.330   5.778  19.601
  446    HG2  GLN  63           HG2      GLN  63  -8.101   8.096  18.203
  447    HG3  GLN  63           HG3      GLN  63  -8.104   6.973  16.851
  448   HE21  GLN  63          HE21      GLN  63  -9.961   8.197  19.675
  449   HE22  GLN  63          HE22      GLN  63 -11.493   7.509  19.154
  450    H    ALA  64           H        ALA  64  -4.813   4.882  17.976
  451    HA   ALA  64           HA       ALA  64  -3.056   7.048  16.988
  452    HB1  ALA  64           HB1      ALA  64  -2.688   4.037  16.863
  453    HB2  ALA  64           HB2      ALA  64  -1.467   5.309  16.619
  454    HB3  ALA  64           HB3      ALA  64  -2.177   5.047  18.224
  455    H    VAL  65           H        VAL  65  -3.508   7.894  15.060
  456    HA   VAL  65           HA       VAL  65  -5.501   6.694  13.409
  457    HB   VAL  65           HB       VAL  65  -5.455   8.707  12.036
  458   HG11  VAL  65          HG11      VAL  65  -5.264   9.331  15.008
  459   HG12  VAL  65          HG12      VAL  65  -6.115  10.271  13.766
  460   HG13  VAL  65          HG13      VAL  65  -6.681   8.647  14.181
  461   HG21  VAL  65          HG21      VAL  65  -2.943   9.130  12.089
  462   HG22  VAL  65          HG22      VAL  65  -3.949  10.550  12.435
  463   HG23  VAL  65          HG23      VAL  65  -3.141   9.699  13.750
  464    H    ALA  66           H        ALA  66  -3.277   5.000  13.274
  465    HA   ALA  66           HA       ALA  66  -2.413   3.503  11.886
  466    HB1  ALA  66           HB1      ALA  66  -3.932   4.786   9.613
  467    HB2  ALA  66           HB2      ALA  66  -3.142   3.200   9.629
  468    HB3  ALA  66           HB3      ALA  66  -4.523   3.515  10.713
  469    H    ALA  67           H        ALA  67  -2.371   6.399   9.917
  470    HA   ALA  67           HA       ALA  67   0.279   7.212   9.822
  471    HB1  ALA  67           HB1      ALA  67  -0.355   5.210   7.615
  472    HB2  ALA  67           HB2      ALA  67   0.993   6.364   7.579
  473    HB3  ALA  67           HB3      ALA  67   0.958   5.107   8.815
  474    H    GLU  68           H        GLU  68  -0.269   9.291   9.449
  475    HA   GLU  68           HA       GLU  68  -2.597   9.891   7.649
  476    HB2  GLU  68           HB2      GLU  68  -3.004  10.298  10.024
  477    HB3  GLU  68           HB3      GLU  68  -1.614  11.392  10.107
  478    HG2  GLU  68           HG2      GLU  68  -2.711  12.975   8.613
  479    HG3  GLU  68           HG3      GLU  68  -3.989  11.810   8.240
  480    H    ALA  69           H        ALA  69   0.713  10.997   8.594
  481    HA   ALA  69           HA       ALA  69   0.780  13.278   6.915
  482    HB1  ALA  69           HB1      ALA  69   3.070  11.455   7.748
  483    HB2  ALA  69           HB2      ALA  69   3.205  13.151   7.261
  484    HB3  ALA  69           HB3      ALA  69   2.373  12.739   8.774
  485    H    ALA  70           H        ALA  70   1.006   9.944   6.039
  486    HA   ALA  70           HA       ALA  70   2.301  10.159   3.513
  487    HB1  ALA  70           HB1      ALA  70   0.315   8.082   4.559
  488    HB2  ALA  70           HB2      ALA  70   1.430   7.872   3.189
  489    HB3  ALA  70           HB3      ALA  70   2.074   8.050   4.823
  490    H    GLY  71           H        GLY  71  -0.799  11.336   4.388
  491    HA2  GLY  71           HA2      GLY  71  -2.369  12.360   2.956
  492    HA3  GLY  71           HA3      GLY  71  -1.522  11.727   1.556
  493    H    GLY  72           H        GLY  72  -3.996  11.541   1.168
  494    HA2  GLY  72           HA2      GLY  72  -5.183   8.975   1.978
  495    HA3  GLY  72           HA3      GLY  72  -5.804  10.096   0.749
  496    H    HIS  73           H        HIS  73  -6.111   7.640  -0.003
  497    HA   HIS  73           HA       HIS  73  -3.821   6.337  -1.156
  498    HB2  HIS  73           HB2      HIS  73  -6.617   5.808  -2.102
  499    HB3  HIS  73           HB3      HIS  73  -5.256   4.714  -2.067
  500    HD2  HIS  73           HD2      HIS  73  -5.223   5.709   1.393
  501    HE1  HIS  73           HE1      HIS  73  -8.518   3.026   1.321
  502    HE2  HIS  73           HE2      HIS  73  -6.836   4.268   2.803
  503    H    LEU  74           H        LEU  74  -3.992   9.022  -2.186
  504    HA   LEU  74           HA       LEU  74  -3.809  10.308  -4.027
  505    HB2  LEU  74           HB2      LEU  74  -2.116   8.621  -4.519
  506    HB3  LEU  74           HB3      LEU  74  -3.278   7.632  -5.372
  507    HG   LEU  74           HG       LEU  74  -3.560   9.445  -7.080
  508   HD11  LEU  74          HD11      LEU  74  -1.316  10.801  -5.509
  509   HD12  LEU  74          HD12      LEU  74  -1.844  11.266  -7.142
  510   HD13  LEU  74          HD13      LEU  74  -2.955  11.433  -5.782
  511   HD21  LEU  74          HD21      LEU  74  -1.982   7.585  -7.421
  512   HD22  LEU  74          HD22      LEU  74  -1.362   9.075  -8.145
  513   HD23  LEU  74          HD23      LEU  74  -0.698   8.498  -6.599
  514    H    ASP  75           H        ASP  75  -5.863  11.125  -3.902
  515    HA   ASP  75           HA       ASP  75  -7.010  11.258  -6.497
  516    HB2  ASP  75           HB2      ASP  75  -8.408   9.402  -5.827
  517    HB3  ASP  75           HB3      ASP  75  -8.858  10.234  -4.330
  518    HA   PRO  76           HA       PRO  76  -7.653  15.215  -4.303
  519    HB2  PRO  76           HB2      PRO  76  -7.360  16.939  -6.355
  520    HB3  PRO  76           HB3      PRO  76  -5.971  15.987  -5.750
  521    HG2  PRO  76           HG2      PRO  76  -7.749  15.369  -8.137
  522    HG3  PRO  76           HG3      PRO  76  -5.959  15.405  -8.074
  523    HD2  PRO  76           HD2      PRO  76  -7.440  13.095  -7.784
  524    HD3  PRO  76           HD3      PRO  76  -5.862  13.339  -6.980
  525    H    GLN  77           H        GLN  77  -9.747  13.725  -6.701
  526    HA   GLN  77           HA       GLN  77 -11.874  15.791  -6.368
  527    HB2  GLN  77           HB2      GLN  77 -10.239  15.243  -8.881
  528    HB3  GLN  77           HB3      GLN  77 -11.891  15.821  -9.000
  529    HG2  GLN  77           HG2      GLN  77  -9.673  17.329  -7.566
  530    HG3  GLN  77           HG3      GLN  77 -10.254  17.639  -9.195
  531   HE21  GLN  77          HE21      GLN  77 -10.920  18.228  -5.804
  532   HE22  GLN  77          HE22      GLN  77 -12.358  19.212  -6.153
  533    H    ASN  78           H        ASN  78 -11.035  12.554  -7.736
  534    HA   ASN  78           HA       ASN  78 -13.352  12.362  -9.329
  535    HB2  ASN  78           HB2      ASN  78 -11.590  10.182  -8.136
  536    HB3  ASN  78           HB3      ASN  78 -12.874   9.885  -9.302
  537   HD21  ASN  78          HD21      ASN  78  -9.692  11.429  -8.875
  538   HD22  ASN  78          HD22      ASN  78  -9.400  11.583 -10.614
  539    H    THR  79           H        THR  79 -12.928  11.506  -5.986
  540    HA   THR  79           HA       THR  79 -15.296  12.331  -5.056
  541    HB   THR  79           HB       THR  79 -16.593  10.698  -6.346
  542    HG1  THR  79           HG1      THR  79 -17.870  10.965  -4.845
  543   HG21  THR  79          HG21      THR  79 -15.332   8.575  -4.566
  544   HG22  THR  79          HG22      THR  79 -16.669   8.351  -5.710
  545   HG23  THR  79          HG23      THR  79 -15.055   8.755  -6.314
  546    H    GLY  80           H        GLY  80 -12.641  10.091  -4.665
  547    HA2  GLY  80           HA2      GLY  80 -11.293   9.780  -2.874
  548    HA3  GLY  80           HA3      GLY  80 -12.227  11.003  -1.986
  549    H    LYS  81           H        LYS  81 -14.328   8.535  -2.920
  550    HA   LYS  81           HA       LYS  81 -14.695   7.715  -0.178
  551    HB2  LYS  81           HB2      LYS  81 -15.935   6.884  -2.828
  552    HB3  LYS  81           HB3      LYS  81 -16.398   6.106  -1.333
  553    HG2  LYS  81           HG2      LYS  81 -16.647   9.097  -1.858
  554    HG3  LYS  81           HG3      LYS  81 -17.940   7.922  -2.054
  555    HD2  LYS  81           HD2      LYS  81 -16.599   8.704   0.567
  556    HD3  LYS  81           HD3      LYS  81 -18.227   9.108   0.018
  557    HE2  LYS  81           HE2      LYS  81 -18.757   6.633  -0.023
  558    HE3  LYS  81           HE3      LYS  81 -17.197   6.334   0.760
  559    HZ1  LYS  81           HZ1      LYS  81 -19.419   7.981   1.862
  560    HZ2  LYS  81           HZ2      LYS  81 -19.006   6.477   2.363
  561    HZ3  LYS  81           HZ3      LYS  81 -17.991   7.745   2.618
  562    H    HIS  82           H        HIS  82 -12.851   6.242  -2.701
  563    HA   HIS  82           HA       HIS  82 -11.354   4.454  -2.556
  564    HB2  HIS  82           HB2      HIS  82 -11.711   4.107  -0.080
  565    HB3  HIS  82           HB3      HIS  82 -13.123   3.123  -0.481
  566    HD2  HIS  82           HD2      HIS  82 -12.650   0.657  -0.380
  567    HE1  HIS  82           HE1      HIS  82  -8.663   0.460  -1.785
  568    HE2  HIS  82           HE2      HIS  82 -10.625  -0.881  -0.925
  569    H    GLU  83           H        GLU  83 -11.335   2.506  -3.761
  570    HA   GLU  83           HA       GLU  83 -13.921   1.873  -5.098
  571    HB2  GLU  83           HB2      GLU  83 -12.783   1.740  -7.238
  572    HB3  GLU  83           HB3      GLU  83 -12.746   3.314  -6.501
  573    HG2  GLU  83           HG2      GLU  83 -10.382   2.968  -5.814
  574    HG3  GLU  83           HG3      GLU  83 -10.400   1.397  -6.628
  575    H    GLY  84           H        GLY  84 -12.418  -0.040  -6.842
  576    HA2  GLY  84           HA2      GLY  84 -11.855  -2.485  -5.830
  577    HA3  GLY  84           HA3      GLY  84 -13.484  -2.200  -5.212
  578    HA   PRO  85           HA       PRO  85 -13.957  -4.133  -9.347
  579    HB2  PRO  85           HB2      PRO  85 -16.635  -4.784  -9.250
  580    HB3  PRO  85           HB3      PRO  85 -15.344  -5.715  -8.434
  581    HG2  PRO  85           HG2      PRO  85 -17.132  -3.574  -7.239
  582    HG3  PRO  85           HG3      PRO  85 -16.758  -5.201  -6.580
  583    HD2  PRO  85           HD2      PRO  85 -15.435  -3.005  -5.724
  584    HD3  PRO  85           HD3      PRO  85 -14.563  -4.546  -5.970
  585    H    GLU  86           H        GLU  86 -16.016  -1.449  -8.188
  586    HA   GLU  86           HA       GLU  86 -16.911  -0.774 -10.881
  587    HB2  GLU  86           HB2      GLU  86 -17.246   0.632  -8.207
  588    HB3  GLU  86           HB3      GLU  86 -17.990   1.150  -9.727
  589    HG2  GLU  86           HG2      GLU  86 -19.132  -1.069  -9.911
  590    HG3  GLU  86           HG3      GLU  86 -18.470  -1.524  -8.335
  591    H    GLY  87           H        GLY  87 -13.944  -0.166  -9.340
  592    HA2  GLY  87           HA2      GLY  87 -12.120   1.049 -10.038
  593    HA3  GLY  87           HA3      GLY  87 -13.000   1.182 -11.573
  594    H    GLN  88           H        GLN  88 -14.462   2.801  -8.874
  595    HA   GLN  88           HA       GLN  88 -13.258   5.425  -9.634
  596    HB2  GLN  88           HB2      GLN  88 -15.257   5.105 -11.002
  597    HB3  GLN  88           HB3      GLN  88 -16.207   4.637  -9.606
  598    HG2  GLN  88           HG2      GLN  88 -15.080   7.283  -9.114
  599    HG3  GLN  88           HG3      GLN  88 -15.797   7.255 -10.717
  600   HE21  GLN  88          HE21      GLN  88 -16.739   5.904  -7.448
  601   HE22  GLN  88          HE22      GLN  88 -18.383   6.561  -7.573
  602    H    GLY  89           H        GLY  89 -12.174   5.641  -7.670
  603    HA2  GLY  89           HA2      GLY  89 -13.646   6.929  -5.560
  604    HA3  GLY  89           HA3      GLY  89 -13.332   5.265  -5.128
  605    H    HIS  90           H        HIS  90 -10.673   5.155  -6.402
  606    HA   HIS  90           HA       HIS  90  -9.164   7.439  -6.004
  607    HB2  HIS  90           HB2      HIS  90  -7.838   5.347  -4.309
  608    HB3  HIS  90           HB3      HIS  90  -7.546   7.053  -4.417
  609    HD2  HIS  90           HD2      HIS  90  -9.329   8.660  -2.990
  610    HE1  HIS  90           HE1      HIS  90  -9.882   5.734   0.018
  611    HE2  HIS  90           HE2      HIS  90 -10.190   8.183  -0.601
  612    H    LEU  91           H        LEU  91  -7.602   7.355  -7.601
  613    HA   LEU  91           HA       LEU  91  -7.248   4.929  -9.115
  614    HB2  LEU  91           HB2      LEU  91  -5.666   6.183 -10.454
  615    HB3  LEU  91           HB3      LEU  91  -7.170   7.051 -10.258
  616    HG   LEU  91           HG       LEU  91  -4.960   7.743  -8.327
  617   HD11  LEU  91          HD11      LEU  91  -4.908   8.596 -11.251
  618   HD12  LEU  91          HD12      LEU  91  -3.878   9.248  -9.955
  619   HD13  LEU  91          HD13      LEU  91  -3.722   7.551 -10.437
  620   HD21  LEU  91          HD21      LEU  91  -7.175   8.938  -8.274
  621   HD22  LEU  91          HD22      LEU  91  -5.830  10.023  -8.641
  622   HD23  LEU  91          HD23      LEU  91  -6.902   9.469  -9.944
  623    H    GLY  92           H        GLY  92  -5.497   6.109  -6.345
  624    HA2  GLY  92           HA2      GLY  92  -3.162   4.384  -6.794
  625    HA3  GLY  92           HA3      GLY  92  -3.490   5.400  -5.374
  626    H    ASP  93           H        ASP  93  -5.985   3.155  -6.387
  627    HA   ASP  93           HA       ASP  93  -5.191   1.216  -4.263
  628    HB2  ASP  93           HB2      ASP  93  -7.840   1.652  -5.686
  629    HB3  ASP  93           HB3      ASP  93  -7.529   0.402  -4.480
  630    H    LEU  94           H        LEU  94  -4.570  -0.851  -4.808
  631    HA   LEU  94           HA       LEU  94  -4.293  -1.571  -7.688
  632    HB2  LEU  94           HB2      LEU  94  -2.121  -1.814  -5.542
  633    HB3  LEU  94           HB3      LEU  94  -1.948  -2.211  -7.194
  634    HG   LEU  94           HG       LEU  94  -2.663   0.384  -7.528
  635   HD11  LEU  94          HD11      LEU  94  -1.117   0.367  -4.921
  636   HD12  LEU  94          HD12      LEU  94  -1.557   1.795  -5.908
  637   HD13  LEU  94          HD13      LEU  94  -2.822   0.842  -5.131
  638   HD21  LEU  94          HD21      LEU  94  -0.563  -0.792  -8.321
  639   HD22  LEU  94          HD22      LEU  94  -0.306   0.881  -7.821
  640   HD23  LEU  94          HD23      LEU  94   0.156  -0.444  -6.742
  641    HA   PRO  95           HA       PRO  95  -5.777  -5.541  -6.556
  642    HB2  PRO  95           HB2      PRO  95  -4.445  -7.360  -8.105
  643    HB3  PRO  95           HB3      PRO  95  -5.558  -6.132  -8.784
  644    HG2  PRO  95           HG2      PRO  95  -2.536  -5.991  -8.550
  645    HG3  PRO  95           HG3      PRO  95  -3.546  -5.663  -9.994
  646    HD2  PRO  95           HD2      PRO  95  -2.647  -3.689  -8.389
  647    HD3  PRO  95           HD3      PRO  95  -4.277  -3.589  -9.125
  648    H    VAL  96           H        VAL  96  -5.226  -7.835  -5.748
  649    HA   VAL  96           HA       VAL  96  -3.817  -7.157  -3.362
  650    HB   VAL  96           HB       VAL  96  -4.677  -9.003  -2.279
  651   HG11  VAL  96          HG11      VAL  96  -6.787  -8.275  -4.339
  652   HG12  VAL  96          HG12      VAL  96  -7.044  -8.870  -2.690
  653   HG13  VAL  96          HG13      VAL  96  -6.319  -7.273  -2.951
  654   HG21  VAL  96          HG21      VAL  96  -4.095 -10.869  -3.605
  655   HG22  VAL  96          HG22      VAL  96  -5.855 -10.894  -3.440
  656   HG23  VAL  96          HG23      VAL  96  -5.106 -10.334  -4.960
  657    H    LEU  97           H        LEU  97  -2.299  -8.077  -2.287
  658    HA   LEU  97           HA       LEU  97   0.015  -9.209  -3.690
  659    HB2  LEU  97           HB2      LEU  97  -0.370  -6.888  -2.300
  660    HB3  LEU  97           HB3      LEU  97  -0.086  -7.892  -0.931
  661    HG   LEU  97           HG       LEU  97   1.773  -6.943  -3.083
  662   HD11  LEU  97          HD11      LEU  97   2.117  -7.360  -0.071
  663   HD12  LEU  97          HD12      LEU  97   3.297  -6.597  -1.138
  664   HD13  LEU  97          HD13      LEU  97   1.710  -5.820  -0.871
  665   HD21  LEU  97          HD21      LEU  97   2.160  -9.288  -3.263
  666   HD22  LEU  97          HD22      LEU  97   3.486  -8.539  -2.358
  667   HD23  LEU  97          HD23      LEU  97   2.221  -9.446  -1.464
  668    H    VAL  98           H        VAL  98  -0.244 -11.456  -3.542
  669    HA   VAL  98           HA       VAL  98  -1.395 -12.706  -1.154
  670    HB   VAL  98           HB       VAL  98  -0.276 -14.046  -3.638
  671   HG11  VAL  98          HG11      VAL  98  -2.124 -15.063  -1.441
  672   HG12  VAL  98          HG12      VAL  98  -1.858 -15.893  -2.990
  673   HG13  VAL  98          HG13      VAL  98  -0.514 -15.687  -1.876
  674   HG21  VAL  98          HG21      VAL  98  -2.134 -12.486  -4.243
  675   HG22  VAL  98          HG22      VAL  98  -2.653 -14.163  -4.389
  676   HG23  VAL  98          HG23      VAL  98  -3.145 -13.205  -2.976
  677    H    VAL  99           H        VAL  99  -0.483 -14.204   0.205
  678    HA   VAL  99           HA       VAL  99   2.499 -14.277   0.475
  679    HB   VAL  99           HB       VAL  99   0.456 -14.326   2.745
  680   HG11  VAL  99          HG11      VAL  99   3.348 -13.501   2.747
  681   HG12  VAL  99          HG12      VAL  99   2.246 -13.428   4.128
  682   HG13  VAL  99          HG13      VAL  99   2.692 -15.020   3.436
  683   HG21  VAL  99          HG21      VAL  99   0.142 -12.191   1.613
  684   HG22  VAL  99          HG22      VAL  99   0.969 -11.971   3.166
  685   HG23  VAL  99          HG23      VAL  99   1.888 -11.875   1.643
  686    H    ASN 100           H        ASN 100   3.341 -16.348   1.054
  687    HA   ASN 100           HA       ASN 100   1.550 -18.607   0.607
  688    HB2  ASN 100           HB2      ASN 100   3.394 -20.031   0.761
  689    HB3  ASN 100           HB3      ASN 100   3.885 -18.625  -0.169
  690   HD21  ASN 100          HD21      ASN 100   3.923 -18.059   3.309
  691   HD22  ASN 100          HD22      ASN 100   5.642 -18.463   3.504
  692    H    ASN 101           H        ASN 101   1.299 -20.403   2.109
  693    HA   ASN 101           HA       ASN 101  -0.123 -19.696   4.360
  694    HB2  ASN 101           HB2      ASN 101  -0.306 -22.110   4.694
  695    HB3  ASN 101           HB3      ASN 101  -0.355 -21.742   2.969
  696   HD21  ASN 101          HD21      ASN 101   1.645 -23.016   5.601
  697   HD22  ASN 101          HD22      ASN 101   3.052 -23.313   4.620
  698    H    ASP 102           H        ASP 102   3.282 -19.711   4.416
  699    HA   ASP 102           HA       ASP 102   3.407 -20.141   7.383
  700    HB2  ASP 102           HB2      ASP 102   5.593 -20.162   5.268
  701    HB3  ASP 102           HB3      ASP 102   5.812 -20.475   6.995
  702    H    GLY 103           H        GLY 103   3.330 -17.552   5.162
  703    HA2  GLY 103           HA2      GLY 103   3.285 -15.327   5.930
  704    HA3  GLY 103           HA3      GLY 103   4.422 -15.712   7.230
  705    H    ILE 104           H        ILE 104   4.912 -16.370   3.752
  706    HA   ILE 104           HA       ILE 104   6.961 -14.203   3.599
  707    HB   ILE 104           HB       ILE 104   7.060 -16.991   2.348
  708   HG12  ILE 104          HG12      ILE 104   9.281 -16.051   4.141
  709   HG13  ILE 104          HG13      ILE 104   7.807 -16.574   4.927
  710   HG21  ILE 104          HG21      ILE 104   9.090 -14.737   2.094
  711   HG22  ILE 104          HG22      ILE 104   9.303 -16.391   1.494
  712   HG23  ILE 104          HG23      ILE 104   8.045 -15.374   0.804
  713   HD11  ILE 104          HD11      ILE 104   9.443 -18.237   2.967
  714   HD12  ILE 104          HD12      ILE 104   9.387 -18.425   4.729
  715   HD13  ILE 104          HD13      ILE 104   7.939 -18.759   3.760
  716    H    ALA 105           H        ALA 105   6.792 -12.932   1.787
  717    HA   ALA 105           HA       ALA 105   4.614 -13.585  -0.180
  718    HB1  ALA 105           HB1      ALA 105   5.684 -10.863   0.700
  719    HB2  ALA 105           HB2      ALA 105   4.377 -11.159  -0.474
  720    HB3  ALA 105           HB3      ALA 105   4.155 -11.594   1.230
  721    H    THR 106           H        THR 106   5.270 -13.905  -2.255
  722    HA   THR 106           HA       THR 106   7.855 -12.801  -3.205
  723    HB   THR 106           HB       THR 106   8.345 -14.881  -1.978
  724    HG1  THR 106           HG1      THR 106   8.745 -14.439  -4.676
  725   HG21  THR 106          HG21      THR 106   6.874 -16.274  -4.268
  726   HG22  THR 106          HG22      THR 106   7.869 -17.044  -3.019
  727   HG23  THR 106          HG23      THR 106   6.353 -16.251  -2.567
  728    H    GLU 107           H        GLU 107   4.777 -12.821  -4.166
  729    HA   GLU 107           HA       GLU 107   5.200 -13.889  -6.862
  730    HB2  GLU 107           HB2      GLU 107   2.830 -13.275  -7.232
  731    HB3  GLU 107           HB3      GLU 107   3.137 -14.521  -6.028
  732    HG2  GLU 107           HG2      GLU 107   2.521 -13.160  -4.225
  733    HG3  GLU 107           HG3      GLU 107   2.772 -11.660  -5.108
  734    HA   PRO 108           HA       PRO 108   5.951  -9.736  -8.565
  735    HB2  PRO 108           HB2      PRO 108   6.115 -10.367 -11.219
  736    HB3  PRO 108           HB3      PRO 108   7.402 -10.729 -10.042
  737    HG2  PRO 108           HG2      PRO 108   5.226 -12.599 -11.018
  738    HG3  PRO 108           HG3      PRO 108   6.993 -12.908 -10.928
  739    HD2  PRO 108           HD2      PRO 108   5.285 -13.726  -8.957
  740    HD3  PRO 108           HD3      PRO 108   6.921 -13.119  -8.573
  741    H    VAL 109           H        VAL 109   3.918  -8.969  -7.845
  742    HA   VAL 109           HA       VAL 109   1.478  -9.226  -9.456
  743    HB   VAL 109           HB       VAL 109   1.823  -6.896  -7.599
  744   HG11  VAL 109          HG11      VAL 109  -0.437  -8.885  -8.023
  745   HG12  VAL 109          HG12      VAL 109  -0.508  -7.421  -7.025
  746   HG13  VAL 109          HG13      VAL 109  -0.318  -7.285  -8.774
  747   HG21  VAL 109          HG21      VAL 109   2.865  -8.563  -6.184
  748   HG22  VAL 109          HG22      VAL 109   1.230  -8.257  -5.599
  749   HG23  VAL 109          HG23      VAL 109   1.567  -9.727  -6.539
  750    H    THR 110           H        THR 110   0.487  -7.203 -10.558
  751    HA   THR 110           HA       THR 110   2.570  -5.399 -11.725
  752    HB   THR 110           HB       THR 110   0.732  -7.278 -13.284
  753    HG1  THR 110           HG1      THR 110   2.588  -8.241 -12.403
  754   HG21  THR 110          HG21      THR 110   2.750  -5.207 -14.253
  755   HG22  THR 110          HG22      THR 110   2.042  -6.487 -15.264
  756   HG23  THR 110          HG23      THR 110   0.994  -5.247 -14.571
  757    H    ALA 111           H        ALA 111   1.903  -3.380 -11.959
  758    HA   ALA 111           HA       ALA 111  -1.034  -2.809 -11.927
  759    HB1  ALA 111           HB1      ALA 111   1.299  -1.327 -10.675
  760    HB2  ALA 111           HB2      ALA 111  -0.404  -0.819 -10.627
  761    HB3  ALA 111           HB3      ALA 111   0.102  -2.341  -9.842
  762    HA   PRO 112           HA       PRO 112   0.439  -0.904 -15.857
  763    HB2  PRO 112           HB2      PRO 112  -1.743  -1.402 -17.430
  764    HB3  PRO 112           HB3      PRO 112  -0.539  -2.656 -17.012
  765    HG2  PRO 112           HG2      PRO 112  -3.193  -2.102 -15.643
  766    HG3  PRO 112           HG3      PRO 112  -2.566  -3.671 -16.247
  767    HD2  PRO 112           HD2      PRO 112  -2.316  -2.949 -13.646
  768    HD3  PRO 112           HD3      PRO 112  -1.009  -3.838 -14.479
  769    H    ARG 113           H        ARG 113  -1.585   0.267 -13.584
  770    HA   ARG 113           HA       ARG 113  -3.037   2.335 -15.102
  771    HB2  ARG 113           HB2      ARG 113  -2.510   2.138 -12.105
  772    HB3  ARG 113           HB3      ARG 113  -3.580   3.298 -12.891
  773    HG2  ARG 113           HG2      ARG 113  -5.008   1.382 -13.688
  774    HG3  ARG 113           HG3      ARG 113  -3.944   0.283 -12.801
  775    HD2  ARG 113           HD2      ARG 113  -5.490   0.532 -11.174
  776    HD3  ARG 113           HD3      ARG 113  -4.517   1.945 -10.752
  777    HE   ARG 113           HE       ARG 113  -6.508   2.761 -12.628
  778   HH11  ARG 113          HH11      ARG 113  -6.480   1.542  -9.213
  779   HH12  ARG 113          HH12      ARG 113  -8.160   2.057  -9.052
  780   HH21  ARG 113          HH21      ARG 113  -8.560   3.646 -11.965
  781   HH22  ARG 113          HH22      ARG 113  -9.192   3.108 -10.404
  782    H    LEU 114           H        LEU 114   0.094   1.935 -13.727
  783    HA   LEU 114           HA       LEU 114   0.890   4.801 -14.039
  784    HB2  LEU 114           HB2      LEU 114   1.900   2.567 -12.220
  785    HB3  LEU 114           HB3      LEU 114   2.799   4.047 -12.522
  786    HG   LEU 114           HG       LEU 114   1.780   4.155 -10.382
  787   HD11  LEU 114          HD11      LEU 114   0.285   6.052 -12.234
  788   HD12  LEU 114          HD12      LEU 114   0.628   6.284 -10.506
  789   HD13  LEU 114          HD13      LEU 114   1.959   6.238 -11.669
  790   HD21  LEU 114          HD21      LEU 114  -0.170   2.626 -10.796
  791   HD22  LEU 114          HD22      LEU 114  -0.549   4.095  -9.880
  792   HD23  LEU 114          HD23      LEU 114  -1.002   3.994 -11.584
  793    H    LYS 115           H        LYS 115   2.829   5.165 -15.095
  794    HA   LYS 115           HA       LYS 115   4.142   2.910 -16.548
  795    HB2  LYS 115           HB2      LYS 115   2.890   5.412 -17.787
  796    HB3  LYS 115           HB3      LYS 115   4.020   4.381 -18.653
  797    HG2  LYS 115           HG2      LYS 115   1.316   3.467 -17.604
  798    HG3  LYS 115           HG3      LYS 115   1.696   3.907 -19.268
  799    HD2  LYS 115           HD2      LYS 115   3.318   2.069 -19.447
  800    HD3  LYS 115           HD3      LYS 115   3.045   1.624 -17.755
  801    HE2  LYS 115           HE2      LYS 115   0.633   1.236 -18.256
  802    HE3  LYS 115           HE3      LYS 115   0.978   1.521 -19.975
  803    HZ1  LYS 115           HZ1      LYS 115   2.253  -0.573 -18.308
  804    HZ2  LYS 115           HZ2      LYS 115   1.082  -0.862 -19.425
  805    HZ3  LYS 115           HZ3      LYS 115   2.547  -0.350 -19.893
  806    H    SER 116           H        SER 116   4.837   5.050 -14.387
  807    HA   SER 116           HA       SER 116   7.554   4.574 -14.983
  808    HB2  SER 116           HB2      SER 116   7.425   6.641 -16.370
  809    HB3  SER 116           HB3      SER 116   7.025   7.546 -14.893
  810    HG   SER 116           HG       SER 116   9.338   7.538 -15.239
  811    H    LEU 117           H        LEU 117   8.973   4.876 -13.209
  812    HA   LEU 117           HA       LEU 117   7.871   5.159 -10.535
  813    HB2  LEU 117           HB2      LEU 117  10.691   5.194 -11.715
  814    HB3  LEU 117           HB3      LEU 117  10.385   5.671 -10.062
  815    HG   LEU 117           HG       LEU 117  11.093   3.564  -9.820
  816   HD11  LEU 117          HD11      LEU 117   8.103   3.076  -9.859
  817   HD12  LEU 117          HD12      LEU 117   9.320   2.228  -8.894
  818   HD13  LEU 117          HD13      LEU 117   8.981   3.937  -8.571
  819   HD21  LEU 117          HD21      LEU 117  11.213   2.731 -12.038
  820   HD22  LEU 117          HD22      LEU 117  10.532   1.559 -10.919
  821   HD23  LEU 117          HD23      LEU 117   9.442   2.429 -12.037
  822    H    ASP 118           H        ASP 118   8.989   7.443 -12.987
  823    HA   ASP 118           HA       ASP 118   9.344   9.759 -11.418
  824    HB2  ASP 118           HB2      ASP 118   8.081   9.533 -14.178
  825    HB3  ASP 118           HB3      ASP 118   8.653  11.022 -13.438
  826    H    GLU 119           H        GLU 119   6.305   8.117 -12.234
  827    HA   GLU 119           HA       GLU 119   4.575  10.342 -11.493
  828    HB2  GLU 119           HB2      GLU 119   3.939   7.380 -11.778
  829    HB3  GLU 119           HB3      GLU 119   2.771   8.701 -11.667
  830    HG2  GLU 119           HG2      GLU 119   3.843   9.662 -13.789
  831    HG3  GLU 119           HG3      GLU 119   4.689   8.118 -13.955
  832    H    VAL 120           H        VAL 120   6.439   8.162  -9.631
  833    HA   VAL 120           HA       VAL 120   4.819   8.712  -7.178
  834    HB   VAL 120           HB       VAL 120   5.305   6.442  -6.345
  835   HG11  VAL 120          HG11      VAL 120   3.823   6.364  -8.998
  836   HG12  VAL 120          HG12      VAL 120   3.678   5.217  -7.654
  837   HG13  VAL 120          HG13      VAL 120   3.145   6.889  -7.444
  838   HG21  VAL 120          HG21      VAL 120   7.333   5.954  -7.776
  839   HG22  VAL 120          HG22      VAL 120   6.123   4.660  -7.766
  840   HG23  VAL 120          HG23      VAL 120   6.235   5.749  -9.160
  841    H    LYS 121           H        LYS 121   7.541   9.667  -8.471
  842    HA   LYS 121           HA       LYS 121   9.648   8.736  -6.903
  843    HB2  LYS 121           HB2      LYS 121  10.945  10.507  -7.912
  844    HB3  LYS 121           HB3      LYS 121   9.850   9.795  -9.093
  845    HG2  LYS 121           HG2      LYS 121   8.294  11.726  -8.802
  846    HG3  LYS 121           HG3      LYS 121   9.401  12.442  -7.625
  847    HD2  LYS 121           HD2      LYS 121  11.132  12.729  -9.301
  848    HD3  LYS 121           HD3      LYS 121  10.194  11.812 -10.504
  849    HE2  LYS 121           HE2      LYS 121   8.422  13.476 -10.498
  850    HE3  LYS 121           HE3      LYS 121   9.205  14.392  -9.205
  851    HZ1  LYS 121           HZ1      LYS 121  10.460  13.947 -11.855
  852    HZ2  LYS 121           HZ2      LYS 121   9.531  15.260 -11.479
  853    HZ3  LYS 121           HZ3      LYS 121  10.949  15.013 -10.694
  854    H    ASP 122           H        ASP 122   7.285  10.521  -5.504
  855    HA   ASP 122           HA       ASP 122   8.971  11.227  -3.189
  856    HB2  ASP 122           HB2      ASP 122   8.809  13.210  -4.829
  857    HB3  ASP 122           HB3      ASP 122   7.103  13.297  -4.407
  858    H    LYS 123           H        LYS 123   6.803   9.280  -3.938
  859    HA   LYS 123           HA       LYS 123   4.553  10.022  -2.109
  860    HB2  LYS 123           HB2      LYS 123   4.744   8.120  -4.492
  861    HB3  LYS 123           HB3      LYS 123   3.352   8.223  -3.431
  862    HG2  LYS 123           HG2      LYS 123   3.314  10.751  -3.972
  863    HG3  LYS 123           HG3      LYS 123   4.415  10.361  -5.301
  864    HD2  LYS 123           HD2      LYS 123   2.748   8.772  -6.222
  865    HD3  LYS 123           HD3      LYS 123   1.713   9.029  -4.816
  866    HE2  LYS 123           HE2      LYS 123   0.763  10.267  -6.536
  867    HE3  LYS 123           HE3      LYS 123   1.499  11.445  -5.436
  868    HZ1  LYS 123           HZ1      LYS 123   2.740  10.531  -7.991
  869    HZ2  LYS 123           HZ2      LYS 123   1.977  11.971  -7.779
  870    HZ3  LYS 123           HZ3      LYS 123   3.362  11.644  -6.971
  871    H    ALA 124           H        ALA 124   3.404   7.790  -1.409
  872    HA   ALA 124           HA       ALA 124   5.445   5.903  -0.298
  873    HB1  ALA 124           HB1      ALA 124   2.896   6.913   1.037
  874    HB2  ALA 124           HB2      ALA 124   3.924   5.600   1.653
  875    HB3  ALA 124           HB3      ALA 124   4.563   7.240   1.546
  876    H    LEU 125           H        LEU 125   4.734   3.793   0.049
  877    HA   LEU 125           HA       LEU 125   2.483   2.663  -1.614
  878    HB2  LEU 125           HB2      LEU 125   5.303   1.666  -1.127
  879    HB3  LEU 125           HB3      LEU 125   4.052   0.742  -1.921
  880    HG   LEU 125           HG       LEU 125   4.647   3.438  -3.088
  881   HD11  LEU 125          HD11      LEU 125   6.554   1.096  -3.271
  882   HD12  LEU 125          HD12      LEU 125   6.568   2.494  -4.367
  883   HD13  LEU 125          HD13      LEU 125   6.885   2.724  -2.637
  884   HD21  LEU 125          HD21      LEU 125   2.924   1.836  -4.017
  885   HD22  LEU 125          HD22      LEU 125   4.188   2.400  -5.182
  886   HD23  LEU 125          HD23      LEU 125   4.295   0.783  -4.450
  887    H    MET 126           H        MET 126   1.279   1.115  -0.384
  888    HA   MET 126           HA       MET 126   2.344   0.396   2.332
  889    HB2  MET 126           HB2      MET 126  -0.439   1.430   1.695
  890    HB3  MET 126           HB3      MET 126  -0.010   0.579   3.187
  891    HG2  MET 126           HG2      MET 126   1.735   2.308   3.652
  892    HG3  MET 126           HG3      MET 126   1.190   3.203   2.242
  893    HE1  MET 126           HE1      MET 126   0.981   5.290   3.676
  894    HE2  MET 126           HE2      MET 126  -0.042   5.471   5.121
  895    HE3  MET 126           HE3      MET 126   1.419   4.460   5.173
  896    H    ILE 127           H        ILE 127   2.004  -1.552   3.065
  897    HA   ILE 127           HA       ILE 127   0.532  -3.558   1.380
  898    HB   ILE 127           HB       ILE 127   2.659  -4.024   3.510
  899   HG12  ILE 127          HG12      ILE 127   2.739  -4.313   0.472
  900   HG13  ILE 127          HG13      ILE 127   3.593  -3.118   1.422
  901   HG21  ILE 127          HG21      ILE 127   1.142  -6.003   1.745
  902   HG22  ILE 127          HG22      ILE 127   2.459  -6.420   2.866
  903   HG23  ILE 127          HG23      ILE 127   0.944  -5.814   3.498
  904   HD11  ILE 127          HD11      ILE 127   4.150  -6.102   1.411
  905   HD12  ILE 127          HD12      ILE 127   5.154  -4.804   0.770
  906   HD13  ILE 127          HD13      ILE 127   4.914  -4.936   2.525
  907    H    HIS 128           H        HIS 128  -1.382  -3.946   2.037
  908    HA   HIS 128           HA       HIS 128  -2.223  -2.984   4.689
  909    HB2  HIS 128           HB2      HIS 128  -3.301  -2.924   1.881
  910    HB3  HIS 128           HB3      HIS 128  -4.430  -2.773   3.179
  911    HD1  HIS 128           HD1      HIS 128  -3.053  -0.921   5.174
  912    HD2  HIS 128           HD2      HIS 128  -3.168  -0.451   1.044
  913    HE1  HIS 128           HE1      HIS 128  -2.934   1.615   4.778
  914    H    VAL 129           H        VAL 129  -3.933  -3.941   5.870
  915    HA   VAL 129           HA       VAL 129  -2.914  -6.506   6.430
  916    HB   VAL 129           HB       VAL 129  -5.253  -5.003   7.614
  917   HG11  VAL 129          HG11      VAL 129  -4.032  -7.593   8.670
  918   HG12  VAL 129          HG12      VAL 129  -5.089  -6.516   9.607
  919   HG13  VAL 129          HG13      VAL 129  -5.725  -7.334   8.182
  920   HG21  VAL 129          HG21      VAL 129  -2.927  -4.086   7.920
  921   HG22  VAL 129          HG22      VAL 129  -3.653  -4.575   9.453
  922   HG23  VAL 129          HG23      VAL 129  -2.441  -5.609   8.667
  923    H    GLY 130           H        GLY 130  -6.001  -5.720   4.840
  924    HA2  GLY 130           HA2      GLY 130  -6.330  -8.654   4.233
  925    HA3  GLY 130           HA3      GLY 130  -7.688  -7.514   4.333
  926    H    GLY 131           H        GLY 131  -6.684  -9.166   2.076
  927    HA2  GLY 131           HA2      GLY 131  -6.002  -7.483  -0.150
  928    HA3  GLY 131           HA3      GLY 131  -6.966  -8.957  -0.209
  929    H    ASP 132           H        ASP 132  -7.366  -6.468  -1.690
  930    HA   ASP 132           HA       ASP 132  -9.660  -5.187  -0.289
  931    HB2  ASP 132           HB2      ASP 132  -7.399  -4.070  -0.172
  932    HB3  ASP 132           HB3      ASP 132  -7.509  -3.805  -1.910
  933    H    ASN 133           H        ASN 133 -11.365  -4.773  -1.275
  934    HA   ASN 133           HA       ASN 133 -11.640  -4.129  -4.085
  935    HB2  ASN 133           HB2      ASN 133 -13.305  -5.909  -4.579
  936    HB3  ASN 133           HB3      ASN 133 -11.710  -6.562  -4.247
  937   HD21  ASN 133          HD21      ASN 133 -12.049  -8.588  -3.264
  938   HD22  ASN 133          HD22      ASN 133 -13.144  -8.777  -1.908
  939    H    MET 134           H        MET 134 -12.204  -3.213  -1.117
  940    HA   MET 134           HA       MET 134 -15.074  -3.474  -0.851
  941    HB2  MET 134           HB2      MET 134 -12.937  -2.301   0.970
  942    HB3  MET 134           HB3      MET 134 -14.650  -2.372   1.375
  943    HG2  MET 134           HG2      MET 134 -13.824  -4.269   2.401
  944    HG3  MET 134           HG3      MET 134 -14.583  -4.870   0.935
  945    HE1  MET 134           HE1      MET 134 -11.402  -4.353   3.001
  946    HE2  MET 134           HE2      MET 134 -10.078  -4.825   1.909
  947    HE3  MET 134           HE3      MET 134 -10.939  -3.295   1.640
  948    H    SER 135           H        SER 135 -15.393  -2.059  -2.883
  949    HA   SER 135           HA       SER 135 -15.540   0.809  -2.391
  950    HB2  SER 135           HB2      SER 135 -16.653   0.925  -4.546
  951    HB3  SER 135           HB3      SER 135 -15.213  -0.088  -4.628
  952    HG   SER 135           HG       SER 135 -17.918  -0.870  -4.665
  953    H    ASP 136           H        ASP 136 -16.887  -0.694  -0.296
  954    HA   ASP 136           HA       ASP 136 -19.359   0.739  -0.082
  955    HB2  ASP 136           HB2      ASP 136 -19.849  -1.355  -1.638
  956    HB3  ASP 136           HB3      ASP 136 -19.787  -2.261  -0.135
  957    H    GLN 137           H        GLN 137 -20.164   0.685   1.991
  958    HA   GLN 137           HA       GLN 137 -20.272  -0.856   4.050
  959    HB2  GLN 137           HB2      GLN 137 -17.385  -0.032   3.955
  960    HB3  GLN 137           HB3      GLN 137 -18.150   0.070   5.517
  961    HG2  GLN 137           HG2      GLN 137 -18.613  -2.205   5.694
  962    HG3  GLN 137           HG3      GLN 137 -18.466  -2.496   3.964
  963   HE21  GLN 137          HE21      GLN 137 -16.287  -2.276   2.989
  964   HE22  GLN 137          HE22      GLN 137 -14.894  -2.715   4.012
  965    HA   PRO 138           HA       PRO 138 -21.267   3.138   6.039
  966    HB2  PRO 138           HB2      PRO 138 -22.367   2.287   8.354
  967    HB3  PRO 138           HB3      PRO 138 -23.170   1.987   6.786
  968    HG2  PRO 138           HG2      PRO 138 -21.452   0.075   8.393
  969    HG3  PRO 138           HG3      PRO 138 -23.040  -0.239   7.628
  970    HD2  PRO 138           HD2      PRO 138 -20.595  -0.860   6.461
  971    HD3  PRO 138           HD3      PRO 138 -22.081  -0.512   5.533
  972    H    LYS 139           H        LYS 139 -19.016   0.735   7.219
  973    HA   LYS 139           HA       LYS 139 -17.967   2.478   9.372
  974    HB2  LYS 139           HB2      LYS 139 -17.376  -0.391   8.551
  975    HB3  LYS 139           HB3      LYS 139 -16.485   0.465   9.815
  976    HG2  LYS 139           HG2      LYS 139 -18.492   0.730  11.176
  977    HG3  LYS 139           HG3      LYS 139 -19.514   0.122   9.880
  978    HD2  LYS 139           HD2      LYS 139 -19.341  -1.662  11.419
  979    HD3  LYS 139           HD3      LYS 139 -18.369  -2.091  10.023
  980    HE2  LYS 139           HE2      LYS 139 -17.063  -2.756  11.847
  981    HE3  LYS 139           HE3      LYS 139 -16.326  -1.233  11.338
  982    HZ1  LYS 139           HZ1      LYS 139 -18.159  -1.620  13.657
  983    HZ2  LYS 139           HZ2      LYS 139 -16.556  -1.289  13.712
  984    HZ3  LYS 139           HZ3      LYS 139 -17.597  -0.153  13.169
  985    HA   PRO 140           HA       PRO 140 -15.215   4.358   6.676
  986    HB2  PRO 140           HB2      PRO 140 -13.200   5.317   8.263
  987    HB3  PRO 140           HB3      PRO 140 -14.898   5.869   8.402
  988    HG2  PRO 140           HG2      PRO 140 -13.512   3.702  10.021
  989    HG3  PRO 140           HG3      PRO 140 -14.434   5.111  10.642
  990    HD2  PRO 140           HD2      PRO 140 -15.612   2.691  10.380
  991    HD3  PRO 140           HD3      PRO 140 -16.502   4.179   9.932
  992    H    LEU 141           H        LEU 141 -13.196   4.448   5.610
  993    HA   LEU 141           HA       LEU 141 -11.326   3.735   4.607
  994    HB2  LEU 141           HB2      LEU 141 -10.881   3.533   7.411
  995    HB3  LEU 141           HB3      LEU 141 -10.201   2.072   6.748
  996    HG   LEU 141           HG       LEU 141  -8.535   3.805   6.984
  997   HD11  LEU 141          HD11      LEU 141  -9.077   3.417   4.012
  998   HD12  LEU 141          HD12      LEU 141  -7.531   3.848   4.772
  999   HD13  LEU 141          HD13      LEU 141  -8.252   2.262   5.082
 1000   HD21  LEU 141          HD21      LEU 141 -10.016   5.785   6.789
 1001   HD22  LEU 141          HD22      LEU 141  -8.560   5.920   5.788
 1002   HD23  LEU 141          HD23      LEU 141 -10.115   5.535   5.033
 1003    H    GLY 142           H        GLY 142 -13.690   1.568   5.075
 1004    HA2  GLY 142           HA2      GLY 142 -14.245  -0.288   3.799
 1005    HA3  GLY 142           HA3      GLY 142 -12.631  -0.252   3.047
 1006    H    GLY 143           H        GLY 143 -12.258  -0.247   6.388
 1007    HA2  GLY 143           HA2      GLY 143 -11.836  -1.872   8.001
 1008    HA3  GLY 143           HA3      GLY 143 -12.449  -3.122   6.890
 1009    H    GLY 144           H        GLY 144 -10.918  -3.432   4.901
 1010    HA2  GLY 144           HA2      GLY 144  -8.544  -4.614   5.987
 1011    HA3  GLY 144           HA3      GLY 144  -8.978  -4.542   4.265
 1012    H    GLY 145           H        GLY 145  -8.941  -1.419   4.895
 1013    HA2  GLY 145           HA2      GLY 145  -6.334  -0.938   3.756
 1014    HA3  GLY 145           HA3      GLY 145  -7.548   0.276   4.216
 1015    H    THR 146           H        THR 146  -6.708  -1.739   6.883
 1016    HA   THR 146           HA       THR 146  -4.846   0.200   8.090
 1017    HB   THR 146           HB       THR 146  -4.656  -1.608   9.862
 1018    HG1  THR 146           HG1      THR 146  -6.433  -3.183   9.607
 1019   HG21  THR 146          HG21      THR 146  -7.520  -0.766   9.198
 1020   HG22  THR 146          HG22      THR 146  -6.891  -1.257  10.784
 1021   HG23  THR 146          HG23      THR 146  -6.329   0.249  10.042
 1022    H    ARG 147           H        ARG 147  -2.601  -0.469   8.651
 1023    HA   ARG 147           HA       ARG 147  -1.387  -1.858   6.313
 1024    HB2  ARG 147           HB2      ARG 147   0.715  -0.619   7.102
 1025    HB3  ARG 147           HB3      ARG 147  -0.554   0.239   6.260
 1026    HG2  ARG 147           HG2      ARG 147   0.392   1.577   8.075
 1027    HG3  ARG 147           HG3      ARG 147  -1.335   1.302   8.292
 1028    HD2  ARG 147           HD2      ARG 147  -0.851  -0.471   9.921
 1029    HD3  ARG 147           HD3      ARG 147   0.892  -0.198   9.738
 1030    HE   ARG 147           HE       ARG 147   0.029   2.257  10.501
 1031   HH11  ARG 147          HH11      ARG 147  -0.628  -0.943  11.880
 1032   HH12  ARG 147          HH12      ARG 147  -0.937  -0.293  13.457
 1033   HH21  ARG 147          HH21      ARG 147  -0.505   3.005  12.477
 1034   HH22  ARG 147          HH22      ARG 147  -1.360   1.991  13.630
 1035    H    TYR 148           H        TYR 148   0.055  -3.489   6.397
 1036    HA   TYR 148           HA       TYR 148   1.150  -4.265   9.085
 1037    HB2  TYR 148           HB2      TYR 148   0.055  -6.156   7.775
 1038    HB3  TYR 148           HB3      TYR 148   1.335  -6.061   6.568
 1039    HD1  TYR 148           HD1      TYR 148   0.634  -6.774  10.157
 1040    HD2  TYR 148           HD2      TYR 148   3.536  -6.875   6.967
 1041    HE1  TYR 148           HE1      TYR 148   2.103  -8.239  11.536
 1042    HE2  TYR 148           HE2      TYR 148   4.999  -8.330   8.339
 1043    HH   TYR 148           HH       TYR 148   5.195  -9.549  10.267
 1044    H    ALA 149           H        ALA 149   1.895  -2.864   5.913
 1045    HA   ALA 149           HA       ALA 149   4.328  -1.858   7.160
 1046    HB1  ALA 149           HB1      ALA 149   4.596  -3.342   4.513
 1047    HB2  ALA 149           HB2      ALA 149   5.882  -2.572   5.453
 1048    HB3  ALA 149           HB3      ALA 149   5.078  -4.016   6.086
 1049    H    CYS 150           H        CYS 150   5.357  -0.135   6.019
 1050    HA   CYS 150           HA       CYS 150   3.946   1.097   3.744
 1051    HB2  CYS 150           HB2      CYS 150   3.091   2.234   5.739
 1052    HB3  CYS 150           HB3      CYS 150   4.737   2.560   6.283
 1053    H    GLY 151           H        GLY 151   5.289   2.325   2.460
 1054    HA2  GLY 151           HA2      GLY 151   8.235   2.333   2.886
 1055    HA3  GLY 151           HA3      GLY 151   7.595   1.436   1.517
 1056    H    VAL 152           H        VAL 152   8.414   4.511   2.683
 1057    HA   VAL 152           HA       VAL 152   7.381   6.167   0.563
 1058    HB   VAL 152           HB       VAL 152   8.204   7.211   2.534
 1059   HG11  VAL 152          HG11      VAL 152  10.986   6.124   1.926
 1060   HG12  VAL 152          HG12      VAL 152  10.573   7.289   3.197
 1061   HG13  VAL 152          HG13      VAL 152   9.940   5.643   3.278
 1062   HG21  VAL 152          HG21      VAL 152   8.455   8.453   0.379
 1063   HG22  VAL 152          HG22      VAL 152   9.591   8.972   1.639
 1064   HG23  VAL 152          HG23      VAL 152  10.146   7.940   0.310
 1065    H    ILE 153           H        ILE 153   8.188   6.666  -1.488
 1066    HA   ILE 153           HA       ILE 153   9.926   4.682  -2.739
 1067    HB   ILE 153           HB       ILE 153   8.716   7.264  -3.789
 1068   HG12  ILE 153          HG12      ILE 153   7.724   5.481  -5.443
 1069   HG13  ILE 153          HG13      ILE 153   8.218   4.284  -4.262
 1070   HG21  ILE 153          HG21      ILE 153  10.538   5.300  -5.245
 1071   HG22  ILE 153          HG22      ILE 153   9.572   6.557  -6.041
 1072   HG23  ILE 153          HG23      ILE 153  10.862   7.024  -4.946
 1073   HD11  ILE 153          HD11      ILE 153   6.344   6.618  -3.723
 1074   HD12  ILE 153          HD12      ILE 153   5.806   5.013  -4.176
 1075   HD13  ILE 153          HD13      ILE 153   6.648   5.247  -2.625
 1076    H    LYS 154           H        LYS 154  12.011   4.546  -2.570
 1077    HA   LYS 154           HA       LYS 154  13.790   6.883  -2.762
 1078    HB2  LYS 154           HB2      LYS 154  13.804   4.965  -0.375
 1079    HB3  LYS 154           HB3      LYS 154  15.097   6.099  -0.738
 1080    HG2  LYS 154           HG2      LYS 154  12.249   6.868   0.010
 1081    HG3  LYS 154           HG3      LYS 154  13.621   6.831   1.102
 1082    HD2  LYS 154           HD2      LYS 154  14.756   8.608  -0.082
 1083    HD3  LYS 154           HD3      LYS 154  13.531   8.618  -1.370
 1084    HE2  LYS 154           HE2      LYS 154  11.800   9.326   0.156
 1085    HE3  LYS 154           HE3      LYS 154  12.885   9.163   1.553
 1086    HZ1  LYS 154           HZ1      LYS 154  13.263  11.088  -0.674
 1087    HZ2  LYS 154           HZ2      LYS 154  12.729  11.471   0.824
 1088    HZ3  LYS 154           HZ3      LYS 154  14.255  10.923   0.633
  Start of MODEL   21
    1    H1   ALA   1           H1       ALA   1  11.567   0.336 -16.231
    2    H2   ALA   1           H2       ALA   1  12.790  -0.573 -16.781
    3    H3   ALA   1           H3       ALA   1  12.570   0.970 -17.357
    4    HA   ALA   1           HA       ALA   1  14.451   0.705 -15.771
    5    HB1  ALA   1           HB1      ALA   1  12.273   2.617 -14.811
    6    HB2  ALA   1           HB2      ALA   1  14.021   2.744 -14.533
    7    HB3  ALA   1           HB3      ALA   1  13.374   2.917 -16.164
    8    H    SER   2           H        SER   2  14.525   1.155 -13.025
    9    HA   SER   2           HA       SER   2  12.818  -0.844 -11.644
   10    HB2  SER   2           HB2      SER   2  15.784  -1.309 -11.658
   11    HB3  SER   2           HB3      SER   2  14.491  -2.411 -11.187
   12    HG   SER   2           HG       SER   2  14.050  -2.741 -13.440
   13    H    GLU   3           H        GLU   3  12.585  -0.530  -9.541
   14    HA   GLU   3           HA       GLU   3  14.874   0.416  -8.083
   15    HB2  GLU   3           HB2      GLU   3  13.779   2.605  -8.823
   16    HB3  GLU   3           HB3      GLU   3  12.376   2.142  -7.838
   17    HG2  GLU   3           HG2      GLU   3  13.986   3.738  -6.752
   18    HG3  GLU   3           HG3      GLU   3  13.688   2.251  -5.828
   19    H    LYS   4           H        LYS   4  14.795  -0.009  -5.947
   20    HA   LYS   4           HA       LYS   4  12.671  -1.945  -5.065
   21    HB2  LYS   4           HB2      LYS   4  14.407  -3.106  -3.856
   22    HB3  LYS   4           HB3      LYS   4  14.872  -2.873  -5.532
   23    HG2  LYS   4           HG2      LYS   4  16.073  -0.661  -4.362
   24    HG3  LYS   4           HG3      LYS   4  16.099  -1.813  -3.037
   25    HD2  LYS   4           HD2      LYS   4  18.146  -2.130  -4.114
   26    HD3  LYS   4           HD3      LYS   4  17.165  -3.469  -4.731
   27    HE2  LYS   4           HE2      LYS   4  16.668  -2.056  -6.784
   28    HE3  LYS   4           HE3      LYS   4  17.696  -0.784  -6.115
   29    HZ1  LYS   4           HZ1      LYS   4  18.565  -3.496  -6.978
   30    HZ2  LYS   4           HZ2      LYS   4  19.042  -2.066  -7.619
   31    HZ3  LYS   4           HZ3      LYS   4  19.527  -2.475  -6.111
   32    H    VAL   5           H        VAL   5  11.218  -1.251  -3.495
   33    HA   VAL   5           HA       VAL   5  12.211   0.861  -1.606
   34    HB   VAL   5           HB       VAL   5   9.417   0.077  -2.455
   35   HG11  VAL   5          HG11      VAL   5  10.327   2.061  -0.314
   36   HG12  VAL   5          HG12      VAL   5   8.696   2.016  -1.010
   37   HG13  VAL   5          HG13      VAL   5   9.287   0.638  -0.082
   38   HG21  VAL   5          HG21      VAL   5  10.712   1.483  -4.056
   39   HG22  VAL   5          HG22      VAL   5   9.403   2.406  -3.319
   40   HG23  VAL   5          HG23      VAL   5  11.067   2.640  -2.758
   41    H    GLY   6           H        GLY   6  12.764   0.330   0.320
   42    HA2  GLY   6           HA2      GLY   6  12.256  -2.279   1.559
   43    HA3  GLY   6           HA3      GLY   6  13.242  -0.939   2.196
   44    H    MET   7           H        MET   7  10.320  -2.595   2.371
   45    HA   MET   7           HA       MET   7   8.806  -0.463   3.694
   46    HB2  MET   7           HB2      MET   7   8.142  -3.350   3.048
   47    HB3  MET   7           HB3      MET   7   7.029  -2.202   3.831
   48    HG2  MET   7           HG2      MET   7   7.204  -0.676   1.938
   49    HG3  MET   7           HG3      MET   7   8.240  -1.826   1.074
   50    HE1  MET   7           HE1      MET   7   6.114  -1.124  -0.735
   51    HE2  MET   7           HE2      MET   7   4.424  -1.560  -0.355
   52    HE3  MET   7           HE3      MET   7   5.271  -0.348   0.628
   53    H    ASN   8           H        ASN   8   8.160  -0.228   5.693
   54    HA   ASN   8           HA       ASN   8   9.430  -1.849   7.842
   55    HB2  ASN   8           HB2      ASN   8  10.033   0.622   7.270
   56    HB3  ASN   8           HB3      ASN   8   8.532   1.029   8.124
   57   HD21  ASN   8          HD21      ASN   8  11.865   0.174   8.388
   58   HD22  ASN   8          HD22      ASN   8  11.910  -0.144  10.120
   59    H    LEU   9           H        LEU   9   8.327  -2.283   9.763
   60    HA   LEU   9           HA       LEU   9   5.503  -2.819   9.387
   61    HB2  LEU   9           HB2      LEU   9   7.388  -3.396  11.710
   62    HB3  LEU   9           HB3      LEU   9   5.754  -4.029  11.554
   63    HG   LEU   9           HG       LEU   9   8.096  -4.727   9.738
   64   HD11  LEU   9          HD11      LEU   9   6.628  -6.200  11.972
   65   HD12  LEU   9          HD12      LEU   9   7.809  -6.950  10.896
   66   HD13  LEU   9          HD13      LEU   9   8.315  -5.644  11.980
   67   HD21  LEU   9          HD21      LEU   9   6.016  -4.853   8.446
   68   HD22  LEU   9          HD22      LEU   9   6.579  -6.482   8.836
   69   HD23  LEU   9          HD23      LEU   9   5.229  -5.774   9.750
   70    H    VAL  10           H        VAL  10   5.226  -0.280   9.373
   71    HA   VAL  10           HA       VAL  10   5.139   1.109  11.834
   72    HB   VAL  10           HB       VAL  10   3.415   2.620  10.748
   73   HG11  VAL  10          HG11      VAL  10   6.062   2.112   9.318
   74   HG12  VAL  10          HG12      VAL  10   5.126   3.626   9.308
   75   HG13  VAL  10          HG13      VAL  10   5.822   3.047  10.813
   76   HG21  VAL  10          HG21      VAL  10   2.528   0.931   9.043
   77   HG22  VAL  10          HG22      VAL  10   3.004   2.494   8.391
   78   HG23  VAL  10          HG23      VAL  10   4.069   1.075   8.193
   79    H    THR  11           H        THR  11   4.199   0.367  13.621
   80    HA   THR  11           HA       THR  11   1.275  -0.340  13.562
   81    HB   THR  11           HB       THR  11   2.475  -2.370  13.529
   82    HG1  THR  11           HG1      THR  11   1.562  -1.737  16.119
   83   HG21  THR  11          HG21      THR  11   3.826  -1.654  16.183
   84   HG22  THR  11          HG22      THR  11   3.951  -3.159  15.260
   85   HG23  THR  11          HG23      THR  11   4.656  -1.672  14.619
   86    H    ALA  12           H        ALA  12   1.030   1.893  14.112
   87    HA   ALA  12           HA       ALA  12   0.173   3.440  15.502
   88    HB1  ALA  12           HB1      ALA  12   0.403   1.347  17.711
   89    HB2  ALA  12           HB2      ALA  12  -0.652   2.769  17.668
   90    HB3  ALA  12           HB3      ALA  12  -0.907   1.446  16.516
   91    H    GLN  13           H        GLN  13   2.884   1.847  17.205
   92    HA   GLN  13           HA       GLN  13   3.784   4.289  18.518
   93    HB2  GLN  13           HB2      GLN  13   5.000   1.523  18.072
   94    HB3  GLN  13           HB3      GLN  13   5.825   2.864  18.888
   95    HG2  GLN  13           HG2      GLN  13   4.950   1.164  20.422
   96    HG3  GLN  13           HG3      GLN  13   4.574   2.864  20.765
   97   HE21  GLN  13          HE21      GLN  13   2.410   3.668  20.258
   98   HE22  GLN  13          HE22      GLN  13   1.109   2.498  20.060
   99    H    GLY  14           H        GLY  14   4.078   3.209  15.284
  100    HA2  GLY  14           HA2      GLY  14   4.766   4.824  13.622
  101    HA3  GLY  14           HA3      GLY  14   6.069   5.368  14.710
  102    H    VAL  15           H        VAL  15   7.250   5.116  12.700
  103    HA   VAL  15           HA       VAL  15   7.951   2.603  11.507
  104    HB   VAL  15           HB       VAL  15   9.411   5.265  11.681
  105   HG11  VAL  15          HG11      VAL  15  10.177   2.858   9.969
  106   HG12  VAL  15          HG12      VAL  15  10.846   4.491   9.801
  107   HG13  VAL  15          HG13      VAL  15  11.154   3.571  11.272
  108   HG21  VAL  15          HG21      VAL  15   7.277   5.207  10.349
  109   HG22  VAL  15          HG22      VAL  15   8.699   5.549   9.360
  110   HG23  VAL  15          HG23      VAL  15   7.978   3.928   9.341
  111    H    GLY  16           H        GLY  16   9.359   1.051  12.015
  112    HA2  GLY  16           HA2      GLY  16  11.427   1.381  14.129
  113    HA3  GLY  16           HA3      GLY  16  10.135   0.194  14.410
  114    H    GLN  17           H        GLN  17   9.875  -1.563  12.919
  115    HA   GLN  17           HA       GLN  17  12.521  -2.669  12.247
  116    HB2  GLN  17           HB2      GLN  17  10.438  -3.544  13.881
  117    HB3  GLN  17           HB3      GLN  17  10.123  -4.432  12.393
  118    HG2  GLN  17           HG2      GLN  17  12.506  -5.247  12.441
  119    HG3  GLN  17           HG3      GLN  17  12.705  -4.325  13.959
  120   HE21  GLN  17          HE21      GLN  17  10.869  -7.055  12.471
  121   HE22  GLN  17          HE22      GLN  17  10.509  -7.840  14.003
  122    H    SER  18           H        SER  18  13.039  -3.416  10.197
  123    HA   SER  18           HA       SER  18  10.936  -3.311   8.067
  124    HB2  SER  18           HB2      SER  18  12.502  -1.621   7.552
  125    HB3  SER  18           HB3      SER  18  13.875  -2.649   8.012
  126    HG   SER  18           HG       SER  18  13.802  -2.808   5.817
  127    H    ILE  19           H        ILE  19  10.587  -5.112   6.956
  128    HA   ILE  19           HA       ILE  19  12.183  -7.555   7.607
  129    HB   ILE  19           HB       ILE  19   9.287  -6.762   7.698
  130   HG12  ILE  19          HG12      ILE  19  10.855  -7.028   9.659
  131   HG13  ILE  19          HG13      ILE  19   9.318  -7.896   9.716
  132   HG21  ILE  19          HG21      ILE  19   9.930  -9.643   7.025
  133   HG22  ILE  19          HG22      ILE  19   8.378  -9.012   7.624
  134   HG23  ILE  19          HG23      ILE  19   8.989  -8.489   6.058
  135   HD11  ILE  19          HD11      ILE  19  11.907  -9.246   8.814
  136   HD12  ILE  19          HD12      ILE  19  11.383  -9.199  10.515
  137   HD13  ILE  19          HD13      ILE  19  10.381 -10.005   9.297
  138    H    GLY  20           H        GLY  20  11.101  -5.683   4.953
  139    HA2  GLY  20           HA2      GLY  20  12.434  -7.430   3.178
  140    HA3  GLY  20           HA3      GLY  20  10.701  -7.671   2.975
  141    H    THR  21           H        THR  21  12.394  -6.598   0.905
  142    HA   THR  21           HA       THR  21  11.231  -3.870   0.656
  143    HB   THR  21           HB       THR  21  12.548  -3.430  -1.189
  144    HG1  THR  21           HG1      THR  21  13.174  -6.185  -1.344
  145   HG21  THR  21          HG21      THR  21  14.426  -5.215   0.399
  146   HG22  THR  21          HG22      THR  21  14.844  -3.862  -0.665
  147   HG23  THR  21          HG23      THR  21  13.981  -3.556   0.853
  148    H    VAL  22           H        VAL  22  10.228  -3.495  -1.475
  149    HA   VAL  22           HA       VAL  22   9.314  -5.960  -2.822
  150    HB   VAL  22           HB       VAL  22   7.656  -3.398  -2.903
  151   HG11  VAL  22          HG11      VAL  22   7.345  -6.204  -4.053
  152   HG12  VAL  22          HG12      VAL  22   6.078  -5.041  -4.077
  153   HG13  VAL  22          HG13      VAL  22   7.559  -4.706  -4.990
  154   HG21  VAL  22          HG21      VAL  22   7.336  -4.532  -0.698
  155   HG22  VAL  22          HG22      VAL  22   5.899  -4.678  -1.714
  156   HG23  VAL  22          HG23      VAL  22   7.001  -6.057  -1.551
  157    H    VAL  23           H        VAL  23  10.055  -6.038  -4.854
  158    HA   VAL  23           HA       VAL  23  11.654  -3.714  -5.780
  159    HB   VAL  23           HB       VAL  23  12.651  -5.922  -5.680
  160   HG11  VAL  23          HG11      VAL  23  12.489  -7.522  -7.510
  161   HG12  VAL  23          HG12      VAL  23  11.166  -7.504  -6.369
  162   HG13  VAL  23          HG13      VAL  23  10.966  -6.746  -7.996
  163   HG21  VAL  23          HG21      VAL  23  13.528  -4.029  -7.093
  164   HG22  VAL  23          HG22      VAL  23  13.963  -5.616  -7.745
  165   HG23  VAL  23          HG23      VAL  23  12.633  -4.692  -8.475
  166    H    ILE  24           H        ILE  24  11.096  -2.398  -7.356
  167    HA   ILE  24           HA       ILE  24   8.518  -2.889  -8.791
  168    HB   ILE  24           HB       ILE  24   9.790  -0.271  -7.858
  169   HG12  ILE  24          HG12      ILE  24   7.214  -0.755  -6.723
  170   HG13  ILE  24          HG13      ILE  24   8.134  -2.159  -6.342
  171   HG21  ILE  24          HG21      ILE  24   7.144  -0.923  -9.214
  172   HG22  ILE  24          HG22      ILE  24   7.591   0.678  -8.563
  173   HG23  ILE  24          HG23      ILE  24   8.499  -0.008  -9.912
  174   HD11  ILE  24          HD11      ILE  24   8.734   0.747  -5.686
  175   HD12  ILE  24          HD12      ILE  24   8.021  -0.463  -4.615
  176   HD13  ILE  24          HD13      ILE  24   9.724  -0.652  -5.157
  177    H    ASP  25           H        ASP  25   9.107  -3.644 -10.751
  178    HA   ASP  25           HA       ASP  25  11.207  -2.138 -12.246
  179    HB2  ASP  25           HB2      ASP  25  11.699  -4.439 -12.012
  180    HB3  ASP  25           HB3      ASP  25  10.172  -4.906 -12.820
  181    H    GLU  26           H        GLU  26  10.622  -0.769 -13.532
  182    HA   GLU  26           HA       GLU  26   7.898   0.034 -13.984
  183    HB2  GLU  26           HB2      GLU  26  10.114   1.214 -13.190
  184    HB3  GLU  26           HB3      GLU  26  10.571   1.199 -14.896
  185    HG2  GLU  26           HG2      GLU  26   8.177   2.516 -13.665
  186    HG3  GLU  26           HG3      GLU  26   9.668   3.329 -14.164
  187    H    THR  27           H        THR  27   6.734  -0.466 -15.912
  188    HA   THR  27           HA       THR  27   8.238  -0.848 -18.436
  189    HB   THR  27           HB       THR  27   8.397  -3.015 -17.355
  190    HG1  THR  27           HG1      THR  27   8.330  -3.502 -19.350
  191   HG21  THR  27          HG21      THR  27   5.366  -2.964 -17.257
  192   HG22  THR  27          HG22      THR  27   6.313  -4.468 -17.245
  193   HG23  THR  27          HG23      THR  27   6.522  -3.302 -15.945
  194    H    GLU  28           H        GLU  28   6.590  -1.644 -20.063
  195    HA   GLU  28           HA       GLU  28   5.051   0.719 -20.679
  196    HB2  GLU  28           HB2      GLU  28   6.422  -1.070 -22.058
  197    HB3  GLU  28           HB3      GLU  28   4.921  -1.981 -22.034
  198    HG2  GLU  28           HG2      GLU  28   5.604   0.732 -23.274
  199    HG3  GLU  28           HG3      GLU  28   5.253  -0.780 -24.104
  200    H    GLY  29           H        GLY  29   4.316  -2.477 -19.437
  201    HA2  GLY  29           HA2      GLY  29   1.457  -1.843 -18.983
  202    HA3  GLY  29           HA3      GLY  29   2.262  -3.393 -18.575
  203    H    GLY  30           H        GLY  30   3.873  -0.574 -17.639
  204    HA2  GLY  30           HA2      GLY  30   3.828   0.886 -15.846
  205    HA3  GLY  30           HA3      GLY  30   2.498  -0.015 -15.147
  206    H    LEU  31           H        LEU  31   3.256   0.172 -13.105
  207    HA   LEU  31           HA       LEU  31   5.957  -0.681 -12.403
  208    HB2  LEU  31           HB2      LEU  31   3.554  -0.026 -10.648
  209    HB3  LEU  31           HB3      LEU  31   5.213  -0.257 -10.077
  210    HG   LEU  31           HG       LEU  31   4.160   1.986 -11.831
  211   HD11  LEU  31          HD11      LEU  31   3.632   2.147  -9.401
  212   HD12  LEU  31          HD12      LEU  31   5.362   2.034  -9.028
  213   HD13  LEU  31          HD13      LEU  31   4.730   3.431  -9.923
  214   HD21  LEU  31          HD21      LEU  31   6.416   1.498 -12.599
  215   HD22  LEU  31          HD22      LEU  31   6.404   3.009 -11.684
  216   HD23  LEU  31          HD23      LEU  31   7.019   1.528 -10.926
  217    H    LYS  32           H        LYS  32   6.424  -2.782 -12.810
  218    HA   LYS  32           HA       LYS  32   4.718  -4.962 -11.885
  219    HB2  LYS  32           HB2      LYS  32   6.269  -4.954 -13.944
  220    HB3  LYS  32           HB3      LYS  32   7.590  -5.187 -12.797
  221    HG2  LYS  32           HG2      LYS  32   6.097  -7.181 -11.877
  222    HG3  LYS  32           HG3      LYS  32   5.194  -6.944 -13.385
  223    HD2  LYS  32           HD2      LYS  32   6.748  -8.721 -13.755
  224    HD3  LYS  32           HD3      LYS  32   7.290  -7.310 -14.666
  225    HE2  LYS  32           HE2      LYS  32   8.798  -6.788 -12.613
  226    HE3  LYS  32           HE3      LYS  32   8.398  -8.423 -12.037
  227    HZ1  LYS  32           HZ1      LYS  32   9.668  -7.689 -14.635
  228    HZ2  LYS  32           HZ2      LYS  32  10.474  -8.361 -13.381
  229    HZ3  LYS  32           HZ3      LYS  32   9.357  -9.232 -14.211
  230    H    PHE  33           H        PHE  33   4.497  -5.253  -9.817
  231    HA   PHE  33           HA       PHE  33   6.539  -4.552  -7.819
  232    HB2  PHE  33           HB2      PHE  33   3.950  -3.913  -8.052
  233    HB3  PHE  33           HB3      PHE  33   3.675  -5.518  -7.370
  234    HD1  PHE  33           HD1      PHE  33   5.872  -2.554  -6.734
  235    HD2  PHE  33           HD2      PHE  33   2.991  -5.293  -5.110
  236    HE1  PHE  33           HE1      PHE  33   6.077  -1.450  -4.507
  237    HE2  PHE  33           HE2      PHE  33   3.162  -4.147  -2.912
  238    HZ   PHE  33           HZ       PHE  33   4.756  -2.287  -2.587
  239    H    THR  34           H        THR  34   7.966  -6.234  -7.083
  240    HA   THR  34           HA       THR  34   6.779  -8.990  -6.949
  241    HB   THR  34           HB       THR  34   9.662  -8.379  -7.518
  242    HG1  THR  34           HG1      THR  34   8.268  -7.729  -9.180
  243   HG21  THR  34          HG21      THR  34   8.001 -10.925  -7.562
  244   HG22  THR  34          HG22      THR  34   9.635 -10.773  -8.243
  245   HG23  THR  34          HG23      THR  34   9.374 -10.554  -6.503
  246    HA   PRO  35           HA       PRO  35   7.899  -7.919  -2.698
  247    HB2  PRO  35           HB2      PRO  35   6.256  -9.644  -1.385
  248    HB3  PRO  35           HB3      PRO  35   5.608  -8.245  -2.309
  249    HG2  PRO  35           HG2      PRO  35   5.868 -11.134  -3.190
  250    HG3  PRO  35           HG3      PRO  35   4.430 -10.074  -3.324
  251    HD2  PRO  35           HD2      PRO  35   6.203 -10.490  -5.374
  252    HD3  PRO  35           HD3      PRO  35   5.338  -8.936  -5.149
  253    H    HIS  36           H        HIS  36   9.067  -8.830  -0.929
  254    HA   HIS  36           HA       HIS  36   9.602 -11.718  -0.954
  255    HB2  HIS  36           HB2      HIS  36  11.913 -11.663  -1.250
  256    HB3  HIS  36           HB3      HIS  36  11.312 -10.544  -2.468
  257    HD1  HIS  36           HD1      HIS  36  13.848 -10.724   0.198
  258    HD2  HIS  36           HD2      HIS  36  11.528  -7.801  -1.705
  259    HE1  HIS  36           HE1      HIS  36  15.046  -8.502   0.651
  260    H    LEU  37           H        LEU  37   7.997 -10.403   0.868
  261    HA   LEU  37           HA       LEU  37   9.673  -9.722   3.238
  262    HB2  LEU  37           HB2      LEU  37   6.674  -9.357   2.975
  263    HB3  LEU  37           HB3      LEU  37   7.785  -8.687   4.181
  264    HG   LEU  37           HG       LEU  37   8.875  -7.686   1.832
  265   HD11  LEU  37          HD11      LEU  37   5.843  -7.702   1.540
  266   HD12  LEU  37          HD12      LEU  37   6.968  -6.717   0.589
  267   HD13  LEU  37          HD13      LEU  37   7.017  -8.481   0.461
  268   HD21  LEU  37          HD21      LEU  37   8.537  -6.445   3.910
  269   HD22  LEU  37          HD22      LEU  37   7.884  -5.551   2.527
  270   HD23  LEU  37          HD23      LEU  37   6.779  -6.406   3.632
  271    H    LYS  38           H        LYS  38   9.474 -10.689   5.245
  272    HA   LYS  38           HA       LYS  38   8.034 -13.306   5.360
  273    HB2  LYS  38           HB2      LYS  38   9.979 -14.329   6.327
  274    HB3  LYS  38           HB3      LYS  38  10.314 -13.770   4.696
  275    HG2  LYS  38           HG2      LYS  38  11.089 -11.710   6.648
  276    HG3  LYS  38           HG3      LYS  38  11.704 -13.300   7.121
  277    HD2  LYS  38           HD2      LYS  38  13.305 -12.031   5.756
  278    HD3  LYS  38           HD3      LYS  38  12.741 -13.437   4.801
  279    HE2  LYS  38           HE2      LYS  38  11.209 -12.096   3.540
  280    HE3  LYS  38           HE3      LYS  38  11.238 -10.803   4.721
  281    HZ1  LYS  38           HZ1      LYS  38  13.597 -11.475   3.029
  282    HZ2  LYS  38           HZ2      LYS  38  12.481 -10.366   2.653
  283    HZ3  LYS  38           HZ3      LYS  38  13.394 -10.146   4.019
  284    H    ALA  39           H        ALA  39   6.576 -12.730   6.647
  285    HA   ALA  39           HA       ALA  39   5.940 -12.914   9.096
  286    HB1  ALA  39           HB1      ALA  39   7.640 -10.389   9.236
  287    HB2  ALA  39           HB2      ALA  39   6.465 -10.874  10.476
  288    HB3  ALA  39           HB3      ALA  39   7.873 -11.897  10.153
  289    H    LEU  40           H        LEU  40   3.998 -12.796   8.239
  290    HA   LEU  40           HA       LEU  40   2.474 -10.448   8.626
  291    HB2  LEU  40           HB2      LEU  40   1.275 -11.613   6.328
  292    HB3  LEU  40           HB3      LEU  40   1.604  -9.973   6.678
  293    HG   LEU  40           HG       LEU  40   2.231 -11.534   4.498
  294   HD11  LEU  40          HD11      LEU  40   3.966  -9.172   5.141
  295   HD12  LEU  40          HD12      LEU  40   3.842 -10.030   3.592
  296   HD13  LEU  40          HD13      LEU  40   2.399  -9.159   4.230
  297   HD21  LEU  40          HD21      LEU  40   3.920 -12.695   5.776
  298   HD22  LEU  40          HD22      LEU  40   4.415 -12.034   4.205
  299   HD23  LEU  40          HD23      LEU  40   4.841 -11.119   5.713
  300    HA   PRO  41           HA       PRO  41  -0.237 -13.817   9.524
  301    HB2  PRO  41           HB2      PRO  41  -2.751 -12.731   9.152
  302    HB3  PRO  41           HB3      PRO  41  -1.756 -12.400  10.585
  303    HG2  PRO  41           HG2      PRO  41  -1.963 -10.779   8.076
  304    HG3  PRO  41           HG3      PRO  41  -2.160 -10.204   9.765
  305    HD2  PRO  41           HD2      PRO  41   0.241  -9.939   8.564
  306    HD3  PRO  41           HD3      PRO  41   0.091 -10.565  10.246
  307    HA   PRO  42           HA       PRO  42   0.165 -15.264   5.659
  308    HB2  PRO  42           HB2      PRO  42  -0.525 -17.850   5.833
  309    HB3  PRO  42           HB3      PRO  42   0.449 -17.054   7.101
  310    HG2  PRO  42           HG2      PRO  42  -2.598 -17.278   7.110
  311    HG3  PRO  42           HG3      PRO  42  -1.486 -18.047   8.276
  312    HD2  PRO  42           HD2      PRO  42  -2.473 -15.566   8.771
  313    HD3  PRO  42           HD3      PRO  42  -0.748 -15.930   9.116
  314    H    GLY  43           H        GLY  43  -2.276 -13.723   5.550
  315    HA2  GLY  43           HA2      GLY  43  -3.821 -15.139   3.480
  316    HA3  GLY  43           HA3      GLY  43  -4.638 -14.185   4.744
  317    H    GLU  44           H        GLU  44  -5.465 -13.370   2.651
  318    HA   GLU  44           HA       GLU  44  -3.870 -11.996   0.765
  319    HB2  GLU  44           HB2      GLU  44  -6.837 -11.528   1.203
  320    HB3  GLU  44           HB3      GLU  44  -5.893 -11.209  -0.239
  321    HG2  GLU  44           HG2      GLU  44  -6.863 -13.168  -0.869
  322    HG3  GLU  44           HG3      GLU  44  -5.352 -13.797  -0.180
  323    H    HIS  45           H        HIS  45  -3.093 -10.020   0.556
  324    HA   HIS  45           HA       HIS  45  -3.884  -7.870   2.485
  325    HB2  HIS  45           HB2      HIS  45  -1.098  -8.833   1.586
  326    HB3  HIS  45           HB3      HIS  45  -1.372  -7.243   2.313
  327    HD1  HIS  45           HD1      HIS  45  -3.468  -8.285   4.585
  328    HD2  HIS  45           HD2      HIS  45  -0.198 -10.433   3.160
  329    HE1  HIS  45           HE1      HIS  45  -3.096 -10.181   6.231
  330    HE2  HIS  45           HE2      HIS  45  -1.039 -11.467   5.385
  331    H    GLY  46           H        GLY  46  -4.575  -6.010   1.483
  332    HA2  GLY  46           HA2      GLY  46  -4.464  -5.691  -1.257
  333    HA3  GLY  46           HA3      GLY  46  -4.856  -4.405  -0.094
  334    H    PHE  47           H        PHE  47  -3.564  -3.585  -2.334
  335    HA   PHE  47           HA       PHE  47  -0.997  -2.584  -1.234
  336    HB2  PHE  47           HB2      PHE  47  -0.151  -4.323  -2.489
  337    HB3  PHE  47           HB3      PHE  47  -1.354  -4.141  -3.762
  338    HD1  PHE  47           HD1      PHE  47   1.108  -1.621  -2.313
  339    HD2  PHE  47           HD2      PHE  47  -0.052  -4.049  -5.667
  340    HE1  PHE  47           HE1      PHE  47   2.887  -0.553  -3.746
  341    HE2  PHE  47           HE2      PHE  47   1.609  -2.867  -7.107
  342    HZ   PHE  47           HZ       PHE  47   3.031  -1.075  -6.146
  343    H    HIS  48           H        HIS  48  -1.542  -0.479  -0.942
  344    HA   HIS  48           HA       HIS  48  -2.335   0.894  -3.511
  345    HB2  HIS  48           HB2      HIS  48  -2.621   2.322  -0.859
  346    HB3  HIS  48           HB3      HIS  48  -3.389   2.701  -2.381
  347    HD2  HIS  48           HD2      HIS  48  -4.853  -0.135  -2.913
  348    HE1  HIS  48           HE1      HIS  48  -6.270  -0.017   1.053
  349    HE2  HIS  48           HE2      HIS  48  -6.474  -1.108  -1.274
  350    H    ILE  49           H        ILE  49  -1.629   3.013  -3.885
  351    HA   ILE  49           HA       ILE  49   0.933   3.918  -2.612
  352    HB   ILE  49           HB       ILE  49  -0.381   4.569  -5.274
  353   HG12  ILE  49          HG12      ILE  49   2.499   3.779  -4.645
  354   HG13  ILE  49          HG13      ILE  49   1.235   2.572  -4.954
  355   HG21  ILE  49          HG21      ILE  49   1.920   6.090  -3.957
  356   HG22  ILE  49          HG22      ILE  49   1.371   6.304  -5.631
  357   HG23  ILE  49          HG23      ILE  49   0.302   6.733  -4.309
  358   HD11  ILE  49          HD11      ILE  49   2.178   4.674  -6.932
  359   HD12  ILE  49          HD12      ILE  49   2.500   2.935  -6.975
  360   HD13  ILE  49          HD13      ILE  49   0.842   3.526  -7.195
  361    H    HIS  50           H        HIS  50   0.901   5.875  -1.556
  362    HA   HIS  50           HA       HIS  50  -1.745   7.232  -1.255
  363    HB2  HIS  50           HB2      HIS  50   0.302   6.563   0.881
  364    HB3  HIS  50           HB3      HIS  50  -0.852   7.884   1.038
  365    HD1  HIS  50           HD1      HIS  50  -2.630   7.247   2.595
  366    HD2  HIS  50           HD2      HIS  50  -1.507   4.138   0.036
  367    HE1  HIS  50           HE1      HIS  50  -4.129   5.243   3.232
  368    H    ALA  51           H        ALA  51  -1.643   9.485  -0.779
  369    HA   ALA  51           HA       ALA  51  -0.334  10.714  -2.898
  370    HB1  ALA  51           HB1      ALA  51  -1.756  11.998  -0.528
  371    HB2  ALA  51           HB2      ALA  51  -1.492  12.740  -2.117
  372    HB3  ALA  51           HB3      ALA  51  -2.543  11.320  -1.974
  373    H    ASN  52           H        ASN  52   1.055  10.527   0.305
  374    HA   ASN  52           HA       ASN  52   3.262  12.345  -0.539
  375    HB2  ASN  52           HB2      ASN  52   1.809  12.413   2.136
  376    HB3  ASN  52           HB3      ASN  52   3.344  13.218   1.828
  377   HD21  ASN  52          HD21      ASN  52  -0.077  13.519   1.538
  378   HD22  ASN  52          HD22      ASN  52  -0.068  15.016   0.624
  379    H    GLY  53           H        GLY  53   4.975  12.089   1.524
  380    HA2  GLY  53           HA2      GLY  53   5.800   9.226   1.182
  381    HA3  GLY  53           HA3      GLY  53   6.811  10.628   0.864
  382    H    SER  54           H        SER  54   4.821   9.887   3.815
  383    HA   SER  54           HA       SER  54   7.195   8.853   5.188
  384    HB2  SER  54           HB2      SER  54   7.565  11.256   5.458
  385    HB3  SER  54           HB3      SER  54   5.956  11.437   6.155
  386    HG   SER  54           HG       SER  54   7.677  11.235   7.711
  387    H    CYS  55           H        CYS  55   6.354   7.009   5.917
  388    HA   CYS  55           HA       CYS  55   3.763   6.350   6.399
  389    HB2  CYS  55           HB2      CYS  55   6.297   5.163   7.576
  390    HB3  CYS  55           HB3      CYS  55   4.778   4.323   7.281
  391    H    GLN  56           H        GLN  56   4.942   8.593   8.407
  392    HA   GLN  56           HA       GLN  56   4.727   7.224  10.987
  393    HB2  GLN  56           HB2      GLN  56   5.480  10.046  10.183
  394    HB3  GLN  56           HB3      GLN  56   5.353   9.557  11.870
  395    HG2  GLN  56           HG2      GLN  56   7.168   8.060   9.927
  396    HG3  GLN  56           HG3      GLN  56   7.677   9.519  10.758
  397   HE21  GLN  56          HE21      GLN  56   8.899   9.080  12.580
  398   HE22  GLN  56          HE22      GLN  56   8.610   7.711  13.634
  399    HA   PRO  57           HA       PRO  57   0.576   8.804  11.861
  400    HB2  PRO  57           HB2      PRO  57   0.257   7.884  14.394
  401    HB3  PRO  57           HB3      PRO  57   0.329   6.770  13.003
  402    HG2  PRO  57           HG2      PRO  57   2.560   7.497  14.914
  403    HG3  PRO  57           HG3      PRO  57   2.075   5.873  14.334
  404    HD2  PRO  57           HD2      PRO  57   4.131   7.336  13.220
  405    HD3  PRO  57           HD3      PRO  57   3.138   6.174  12.285
  406    H    ALA  58           H        ALA  58  -0.317  10.574  12.836
  407    HA   ALA  58           HA       ALA  58   1.172  12.134  14.860
  408    HB1  ALA  58           HB1      ALA  58  -1.547  12.587  13.537
  409    HB2  ALA  58           HB2      ALA  58  -0.723  13.703  14.643
  410    HB3  ALA  58           HB3      ALA  58  -0.018  13.348  13.057
  411    H    ILE  59           H        ILE  59   0.144  12.608  16.904
  412    HA   ILE  59           HA       ILE  59  -1.610  10.413  17.966
  413    HB   ILE  59           HB       ILE  59   0.434  12.025  19.531
  414   HG12  ILE  59          HG12      ILE  59   1.745  10.659  18.047
  415   HG13  ILE  59          HG13      ILE  59   1.839  10.050  19.685
  416   HG21  ILE  59          HG21      ILE  59  -1.231   9.575  20.258
  417   HG22  ILE  59          HG22      ILE  59   0.031  10.301  21.277
  418   HG23  ILE  59          HG23      ILE  59  -1.429  11.216  20.892
  419   HD11  ILE  59          HD11      ILE  59   0.212   8.826  17.421
  420   HD12  ILE  59          HD12      ILE  59   1.714   8.203  18.109
  421   HD13  ILE  59          HD13      ILE  59   0.242   8.214  19.093
  422    H    LYS  60           H        LYS  60  -3.580  11.236  17.976
  423    HA   LYS  60           HA       LYS  60  -4.155  13.918  19.214
  424    HB2  LYS  60           HB2      LYS  60  -5.679  12.146  17.250
  425    HB3  LYS  60           HB3      LYS  60  -6.525  13.218  18.338
  426    HG2  LYS  60           HG2      LYS  60  -4.941  15.099  17.352
  427    HG3  LYS  60           HG3      LYS  60  -4.694  13.932  16.044
  428    HD2  LYS  60           HD2      LYS  60  -6.531  15.340  15.362
  429    HD3  LYS  60           HD3      LYS  60  -7.255  13.796  15.854
  430    HE2  LYS  60           HE2      LYS  60  -7.500  14.893  18.203
  431    HE3  LYS  60           HE3      LYS  60  -7.113  16.413  17.424
  432    HZ1  LYS  60           HZ1      LYS  60  -9.435  14.670  16.754
  433    HZ2  LYS  60           HZ2      LYS  60  -9.482  16.036  17.647
  434    HZ3  LYS  60           HZ3      LYS  60  -9.097  16.122  16.046
  435    H    ASP  61           H        ASP  61  -5.621  13.935  20.943
  436    HA   ASP  61           HA       ASP  61  -6.642  13.103  22.882
  437    HB2  ASP  61           HB2      ASP  61  -7.992  11.784  20.497
  438    HB3  ASP  61           HB3      ASP  61  -8.698  11.841  22.114
  439    H    GLY  62           H        GLY  62  -4.264  11.680  22.785
  440    HA2  GLY  62           HA2      GLY  62  -3.264   9.926  23.901
  441    HA3  GLY  62           HA3      GLY  62  -4.870   9.422  24.455
  442    H    GLN  63           H        GLN  63  -4.258   9.530  20.940
  443    HA   GLN  63           HA       GLN  63  -3.505   6.698  20.804
  444    HB2  GLN  63           HB2      GLN  63  -5.521   5.972  19.645
  445    HB3  GLN  63           HB3      GLN  63  -5.891   6.563  21.255
  446    HG2  GLN  63           HG2      GLN  63  -6.393   8.853  19.936
  447    HG3  GLN  63           HG3      GLN  63  -6.608   7.754  18.579
  448   HE21  GLN  63          HE21      GLN  63  -7.914   8.909  21.657
  449   HE22  GLN  63          HE22      GLN  63  -9.373   7.929  21.596
  450    H    ALA  64           H        ALA  64  -3.173   5.903  18.576
  451    HA   ALA  64           HA       ALA  64  -1.881   8.063  17.029
  452    HB1  ALA  64           HB1      ALA  64  -1.606   5.028  16.911
  453    HB2  ALA  64           HB2      ALA  64  -0.580   6.202  16.064
  454    HB3  ALA  64           HB3      ALA  64  -0.554   6.122  17.832
  455    H    VAL  65           H        VAL  65  -2.383   8.620  14.969
  456    HA   VAL  65           HA       VAL  65  -4.824   7.520  13.802
  457    HB   VAL  65           HB       VAL  65  -4.752   9.259  12.165
  458   HG11  VAL  65          HG11      VAL  65  -3.856  10.403  14.842
  459   HG12  VAL  65          HG12      VAL  65  -4.812  11.214  13.590
  460   HG13  VAL  65          HG13      VAL  65  -5.494   9.828  14.459
  461   HG21  VAL  65          HG21      VAL  65  -2.398   9.313  11.510
  462   HG22  VAL  65          HG22      VAL  65  -2.863  10.914  12.096
  463   HG23  VAL  65          HG23      VAL  65  -1.928   9.820  13.134
  464    H    ALA  66           H        ALA  66  -2.259   5.809  13.721
  465    HA   ALA  66           HA       ALA  66  -1.239   4.240  12.426
  466    HB1  ALA  66           HB1      ALA  66  -3.378   4.751  10.321
  467    HB2  ALA  66           HB2      ALA  66  -2.391   3.301  10.558
  468    HB3  ALA  66           HB3      ALA  66  -3.604   3.748  11.770
  469    H    ALA  67           H        ALA  67  -2.049   6.972  10.218
  470    HA   ALA  67           HA       ALA  67   0.711   7.675   9.907
  471    HB1  ALA  67           HB1      ALA  67  -0.616   6.364   7.497
  472    HB2  ALA  67           HB2      ALA  67   0.916   7.264   7.474
  473    HB3  ALA  67           HB3      ALA  67   0.813   5.756   8.380
  474    H    GLU  68           H        GLU  68   0.837   9.811   9.207
  475    HA   GLU  68           HA       GLU  68  -1.647  11.012   7.995
  476    HB2  GLU  68           HB2      GLU  68  -1.339  11.731  10.351
  477    HB3  GLU  68           HB3      GLU  68   0.240  12.413   9.930
  478    HG2  GLU  68           HG2      GLU  68  -0.820  13.989   8.371
  479    HG3  GLU  68           HG3      GLU  68  -2.388  13.199   8.582
  480    H    ALA  69           H        ALA  69   1.935  11.497   8.308
  481    HA   ALA  69           HA       ALA  69   2.041  13.238   6.037
  482    HB1  ALA  69           HB1      ALA  69   4.222  11.738   7.541
  483    HB2  ALA  69           HB2      ALA  69   4.464  13.118   6.436
  484    HB3  ALA  69           HB3      ALA  69   3.572  13.339   7.947
  485    H    ALA  70           H        ALA  70   1.440  10.017   5.918
  486    HA   ALA  70           HA       ALA  70   2.717   9.480   3.301
  487    HB1  ALA  70           HB1      ALA  70   0.671   7.912   4.932
  488    HB2  ALA  70           HB2      ALA  70   1.504   7.357   3.463
  489    HB3  ALA  70           HB3      ALA  70   2.437   7.654   4.943
  490    H    GLY  71           H        GLY  71  -0.212  10.990   4.495
  491    HA2  GLY  71           HA2      GLY  71  -1.786  12.154   3.282
  492    HA3  GLY  71           HA3      GLY  71  -1.009  11.637   1.778
  493    H    GLY  72           H        GLY  72  -3.441  11.818   1.439
  494    HA2  GLY  72           HA2      GLY  72  -5.153   9.598   2.141
  495    HA3  GLY  72           HA3      GLY  72  -5.456  10.816   0.891
  496    H    HIS  73           H        HIS  73  -6.417   8.631   0.138
  497    HA   HIS  73           HA       HIS  73  -4.670   6.531  -0.784
  498    HB2  HIS  73           HB2      HIS  73  -7.602   7.176  -0.886
  499    HB3  HIS  73           HB3      HIS  73  -7.000   6.046  -2.074
  500    HD2  HIS  73           HD2      HIS  73  -6.176   6.275   1.731
  501    HE1  HIS  73           HE1      HIS  73  -7.386   2.284   0.925
  502    HE2  HIS  73           HE2      HIS  73  -6.525   3.900   2.704
  503    H    LEU  74           H        LEU  74  -4.704   9.454  -2.141
  504    HA   LEU  74           HA       LEU  74  -4.183  10.397  -4.109
  505    HB2  LEU  74           HB2      LEU  74  -2.316   8.754  -4.003
  506    HB3  LEU  74           HB3      LEU  74  -3.266   7.615  -4.936
  507    HG   LEU  74           HG       LEU  74  -3.357   9.338  -6.809
  508   HD11  LEU  74          HD11      LEU  74  -1.249  10.733  -5.098
  509   HD12  LEU  74          HD12      LEU  74  -1.616  11.112  -6.793
  510   HD13  LEU  74          HD13      LEU  74  -2.838  11.389  -5.551
  511   HD21  LEU  74          HD21      LEU  74  -1.803   7.417  -6.830
  512   HD22  LEU  74          HD22      LEU  74  -1.053   8.843  -7.565
  513   HD23  LEU  74          HD23      LEU  74  -0.610   8.360  -5.911
  514    H    ASP  75           H        ASP  75  -6.110  11.067  -4.554
  515    HA   ASP  75           HA       ASP  75  -7.940   9.642  -6.394
  516    HB2  ASP  75           HB2      ASP  75  -9.668   9.547  -4.602
  517    HB3  ASP  75           HB3      ASP  75  -8.255   8.559  -4.313
  518    HA   PRO  76           HA       PRO  76  -8.286  14.249  -5.062
  519    HB2  PRO  76           HB2      PRO  76  -7.312  15.834  -7.128
  520    HB3  PRO  76           HB3      PRO  76  -6.320  15.145  -5.809
  521    HG2  PRO  76           HG2      PRO  76  -6.778  13.985  -8.576
  522    HG3  PRO  76           HG3      PRO  76  -5.216  14.247  -7.726
  523    HD2  PRO  76           HD2      PRO  76  -6.374  11.822  -7.654
  524    HD3  PRO  76           HD3      PRO  76  -5.679  12.525  -6.160
  525    H    GLN  77           H        GLN  77  -9.338  13.075  -8.231
  526    HA   GLN  77           HA       GLN  77 -11.777  14.792  -8.007
  527    HB2  GLN  77           HB2      GLN  77 -10.155  14.302 -10.544
  528    HB3  GLN  77           HB3      GLN  77 -11.724  15.113 -10.459
  529    HG2  GLN  77           HG2      GLN  77 -10.721  16.855  -8.954
  530    HG3  GLN  77           HG3      GLN  77  -9.139  16.104  -9.179
  531   HE21  GLN  77          HE21      GLN  77  -7.885  16.904 -10.931
  532   HE22  GLN  77          HE22      GLN  77  -8.626  17.792 -12.249
  533    H    ASN  78           H        ASN  78 -11.130  11.897  -7.315
  534    HA   ASN  78           HA       ASN  78 -12.617  10.395  -9.391
  535    HB2  ASN  78           HB2      ASN  78 -11.217   9.485  -6.846
  536    HB3  ASN  78           HB3      ASN  78 -11.990   8.427  -8.034
  537   HD21  ASN  78          HD21      ASN  78 -10.824  10.452 -10.227
  538   HD22  ASN  78          HD22      ASN  78  -9.195   9.802 -10.369
  539    H    THR  79           H        THR  79 -12.932  10.761  -5.866
  540    HA   THR  79           HA       THR  79 -15.503  11.256  -5.300
  541    HB   THR  79           HB       THR  79 -16.462   9.569  -6.701
  542    HG1  THR  79           HG1      THR  79 -17.720   8.657  -5.132
  543   HG21  THR  79          HG21      THR  79 -14.909   7.475  -5.093
  544   HG22  THR  79          HG22      THR  79 -16.201   7.154  -6.246
  545   HG23  THR  79          HG23      THR  79 -14.677   7.839  -6.811
  546    H    GLY  80           H        GLY  80 -13.098   8.717  -4.558
  547    HA2  GLY  80           HA2      GLY  80 -11.760   8.792  -2.599
  548    HA3  GLY  80           HA3      GLY  80 -12.952   9.806  -1.794
  549    H    LYS  81           H        LYS  81 -14.743   7.265  -3.107
  550    HA   LYS  81           HA       LYS  81 -15.211   6.168  -0.498
  551    HB2  LYS  81           HB2      LYS  81 -16.031   4.751  -3.037
  552    HB3  LYS  81           HB3      LYS  81 -16.863   4.807  -1.495
  553    HG2  LYS  81           HG2      LYS  81 -16.649   6.993  -3.573
  554    HG3  LYS  81           HG3      LYS  81 -18.054   6.018  -3.245
  555    HD2  LYS  81           HD2      LYS  81 -16.900   8.034  -1.264
  556    HD3  LYS  81           HD3      LYS  81 -18.181   8.369  -2.431
  557    HE2  LYS  81           HE2      LYS  81 -19.495   6.426  -1.410
  558    HE3  LYS  81           HE3      LYS  81 -18.296   6.416  -0.102
  559    HZ1  LYS  81           HZ1      LYS  81 -20.101   8.661  -0.847
  560    HZ2  LYS  81           HZ2      LYS  81 -20.161   7.799   0.530
  561    HZ3  LYS  81           HZ3      LYS  81 -18.901   8.812   0.257
  562    H    HIS  82           H        HIS  82 -13.129   5.060  -3.047
  563    HA   HIS  82           HA       HIS  82 -11.474   3.459  -3.141
  564    HB2  HIS  82           HB2      HIS  82 -11.428   3.205  -0.614
  565    HB3  HIS  82           HB3      HIS  82 -12.667   1.970  -0.784
  566    HD2  HIS  82           HD2      HIS  82 -11.993  -0.403  -1.484
  567    HE1  HIS  82           HE1      HIS  82  -7.962   0.155  -2.599
  568    HE2  HIS  82           HE2      HIS  82  -9.799  -1.532  -2.283
  569    H    GLU  83           H        GLU  83 -11.383   1.249  -4.038
  570    HA   GLU  83           HA       GLU  83 -13.950   0.109  -4.915
  571    HB2  GLU  83           HB2      GLU  83 -13.576   0.455  -7.254
  572    HB3  GLU  83           HB3      GLU  83 -13.617   1.963  -6.412
  573    HG2  GLU  83           HG2      GLU  83 -11.735   2.589  -7.420
  574    HG3  GLU  83           HG3      GLU  83 -10.859   1.426  -6.444
  575    H    GLY  84           H        GLY  84 -11.911  -0.929  -7.191
  576    HA2  GLY  84           HA2      GLY  84 -10.028  -2.655  -6.609
  577    HA3  GLY  84           HA3      GLY  84 -11.365  -3.492  -5.830
  578    HA   PRO  85           HA       PRO  85 -12.506  -4.605 -10.075
  579    HB2  PRO  85           HB2      PRO  85 -15.136  -5.066  -9.984
  580    HB3  PRO  85           HB3      PRO  85 -14.062  -5.744  -8.727
  581    HG2  PRO  85           HG2      PRO  85 -15.798  -3.257  -8.547
  582    HG3  PRO  85           HG3      PRO  85 -15.621  -4.581  -7.360
  583    HD2  PRO  85           HD2      PRO  85 -14.195  -2.158  -7.347
  584    HD3  PRO  85           HD3      PRO  85 -13.692  -3.654  -6.508
  585    H    GLU  86           H        GLU  86 -13.537  -1.297  -9.616
  586    HA   GLU  86           HA       GLU  86 -14.972  -1.251 -12.249
  587    HB2  GLU  86           HB2      GLU  86 -16.166  -0.872  -9.495
  588    HB3  GLU  86           HB3      GLU  86 -16.899  -0.086 -10.892
  589    HG2  GLU  86           HG2      GLU  86 -17.268  -2.186 -12.029
  590    HG3  GLU  86           HG3      GLU  86 -16.437  -3.088 -10.768
  591    H    GLY  87           H        GLY  87 -12.714   0.373 -10.441
  592    HA2  GLY  87           HA2      GLY  87 -11.679   2.396 -10.895
  593    HA3  GLY  87           HA3      GLY  87 -12.945   2.774 -12.086
  594    H    GLN  88           H        GLN  88 -14.819   2.162  -9.695
  595    HA   GLN  88           HA       GLN  88 -15.518   4.860  -9.286
  596    HB2  GLN  88           HB2      GLN  88 -16.768   2.432  -9.436
  597    HB3  GLN  88           HB3      GLN  88 -16.879   2.677  -7.711
  598    HG2  GLN  88           HG2      GLN  88 -17.818   4.684  -9.823
  599    HG3  GLN  88           HG3      GLN  88 -18.832   3.411  -9.164
  600   HE21  GLN  88          HE21      GLN  88 -17.732   6.663  -8.626
  601   HE22  GLN  88          HE22      GLN  88 -18.479   6.809  -7.036
  602    H    GLY  89           H        GLY  89 -13.001   4.693  -8.018
  603    HA2  GLY  89           HA2      GLY  89 -13.644   5.297  -5.166
  604    HA3  GLY  89           HA3      GLY  89 -12.569   3.952  -5.505
  605    H    HIS  90           H        HIS  90 -10.519   4.330  -6.459
  606    HA   HIS  90           HA       HIS  90  -9.375   7.062  -6.327
  607    HB2  HIS  90           HB2      HIS  90  -7.996   4.752  -4.950
  608    HB3  HIS  90           HB3      HIS  90  -7.664   6.447  -4.797
  609    HD2  HIS  90           HD2      HIS  90 -10.297   7.661  -3.735
  610    HE1  HIS  90           HE1      HIS  90  -9.997   4.935  -0.518
  611    HE2  HIS  90           HE2      HIS  90 -10.999   7.127  -1.307
  612    H    LEU  91           H        LEU  91  -7.594   7.269  -7.844
  613    HA   LEU  91           HA       LEU  91  -6.946   4.900  -9.438
  614    HB2  LEU  91           HB2      LEU  91  -5.674   6.181 -10.860
  615    HB3  LEU  91           HB3      LEU  91  -7.168   7.020 -10.560
  616    HG   LEU  91           HG       LEU  91  -5.218   8.449 -10.910
  617   HD11  LEU  91          HD11      LEU  91  -6.461   8.817  -8.174
  618   HD12  LEU  91          HD12      LEU  91  -5.590  10.054  -9.096
  619   HD13  LEU  91          HD13      LEU  91  -7.099   9.384  -9.731
  620   HD21  LEU  91          HD21      LEU  91  -3.493   7.059  -9.761
  621   HD22  LEU  91          HD22      LEU  91  -3.449   8.784  -9.356
  622   HD23  LEU  91          HD23      LEU  91  -4.139   7.636  -8.203
  623    H    GLY  92           H        GLY  92  -5.629   6.126  -6.512
  624    HA2  GLY  92           HA2      GLY  92  -3.019   4.916  -6.798
  625    HA3  GLY  92           HA3      GLY  92  -3.769   5.525  -5.305
  626    H    ASP  93           H        ASP  93  -5.847   3.207  -6.603
  627    HA   ASP  93           HA       ASP  93  -4.931   1.243  -4.593
  628    HB2  ASP  93           HB2      ASP  93  -7.541   1.535  -6.132
  629    HB3  ASP  93           HB3      ASP  93  -7.216   0.297  -4.922
  630    H    LEU  94           H        LEU  94  -4.069  -0.733  -5.059
  631    HA   LEU  94           HA       LEU  94  -3.863  -1.647  -7.896
  632    HB2  LEU  94           HB2      LEU  94  -1.839  -2.035  -5.652
  633    HB3  LEU  94           HB3      LEU  94  -1.625  -2.487  -7.266
  634    HG   LEU  94           HG       LEU  94  -0.281  -0.729  -7.153
  635   HD11  LEU  94          HD11      LEU  94  -2.716   0.885  -7.963
  636   HD12  LEU  94          HD12      LEU  94  -1.052   1.058  -8.521
  637   HD13  LEU  94          HD13      LEU  94  -2.011  -0.357  -9.017
  638   HD21  LEU  94          HD21      LEU  94  -0.686  -0.051  -4.954
  639   HD22  LEU  94          HD22      LEU  94  -0.478   1.325  -6.048
  640   HD23  LEU  94          HD23      LEU  94  -2.114   0.883  -5.518
  641    HA   PRO  95           HA       PRO  95  -5.522  -5.478  -6.361
  642    HB2  PRO  95           HB2      PRO  95  -4.474  -7.461  -7.876
  643    HB3  PRO  95           HB3      PRO  95  -5.441  -6.137  -8.599
  644    HG2  PRO  95           HG2      PRO  95  -2.424  -6.384  -8.453
  645    HG3  PRO  95           HG3      PRO  95  -3.431  -5.955  -9.871
  646    HD2  PRO  95           HD2      PRO  95  -2.188  -4.148  -8.211
  647    HD3  PRO  95           HD3      PRO  95  -3.682  -3.749  -9.124
  648    H    VAL  96           H        VAL  96  -5.082  -7.646  -5.400
  649    HA   VAL  96           HA       VAL  96  -3.627  -7.060  -3.115
  650    HB   VAL  96           HB       VAL  96  -4.246  -9.288  -2.235
  651   HG11  VAL  96          HG11      VAL  96  -6.509  -7.802  -3.638
  652   HG12  VAL  96          HG12      VAL  96  -6.650  -8.869  -2.227
  653   HG13  VAL  96          HG13      VAL  96  -5.760  -7.348  -2.095
  654   HG21  VAL  96          HG21      VAL  96  -4.139 -10.659  -4.278
  655   HG22  VAL  96          HG22      VAL  96  -5.732 -10.746  -3.517
  656   HG23  VAL  96          HG23      VAL  96  -5.503  -9.748  -4.970
  657    H    LEU  97           H        LEU  97  -2.006  -7.630  -2.117
  658    HA   LEU  97           HA       LEU  97   0.404  -8.828  -3.201
  659    HB2  LEU  97           HB2      LEU  97  -0.077  -6.714  -1.625
  660    HB3  LEU  97           HB3      LEU  97  -0.220  -7.853  -0.373
  661    HG   LEU  97           HG       LEU  97   1.937  -7.256  -0.086
  662   HD11  LEU  97          HD11      LEU  97   2.445  -9.330  -2.243
  663   HD12  LEU  97          HD12      LEU  97   3.563  -8.811  -0.966
  664   HD13  LEU  97          HD13      LEU  97   2.081  -9.688  -0.532
  665   HD21  LEU  97          HD21      LEU  97   1.908  -5.663  -1.917
  666   HD22  LEU  97          HD22      LEU  97   3.463  -6.512  -1.853
  667   HD23  LEU  97          HD23      LEU  97   2.257  -6.951  -3.093
  668    H    VAL  98           H        VAL  98  -0.107 -11.088  -3.434
  669    HA   VAL  98           HA       VAL  98  -1.304 -12.612  -1.287
  670    HB   VAL  98           HB       VAL  98   0.091 -13.503  -3.823
  671   HG11  VAL  98          HG11      VAL  98  -1.419 -15.180  -1.752
  672   HG12  VAL  98          HG12      VAL  98  -0.980 -15.741  -3.380
  673   HG13  VAL  98          HG13      VAL  98   0.289 -15.363  -2.216
  674   HG21  VAL  98          HG21      VAL  98  -2.061 -12.308  -4.133
  675   HG22  VAL  98          HG22      VAL  98  -2.267 -14.025  -4.498
  676   HG23  VAL  98          HG23      VAL  98  -2.843 -13.374  -2.945
  677    H    VAL  99           H        VAL  99  -0.514 -13.622   0.345
  678    HA   VAL  99           HA       VAL  99   2.361 -14.322   0.591
  679    HB   VAL  99           HB       VAL  99   2.134 -12.684   2.286
  680   HG11  VAL  99          HG11      VAL  99  -0.493 -13.916   3.121
  681   HG12  VAL  99          HG12      VAL  99   0.376 -12.599   3.947
  682   HG13  VAL  99          HG13      VAL  99  -0.257 -12.357   2.299
  683   HG21  VAL  99          HG21      VAL  99   2.982 -14.926   3.160
  684   HG22  VAL  99          HG22      VAL  99   2.374 -13.809   4.381
  685   HG23  VAL  99          HG23      VAL  99   1.392 -15.174   3.852
  686    H    ASN 100           H        ASN 100   2.764 -16.297   1.549
  687    HA   ASN 100           HA       ASN 100   0.692 -18.319   0.954
  688    HB2  ASN 100           HB2      ASN 100   2.376 -19.906   0.911
  689    HB3  ASN 100           HB3      ASN 100   3.202 -18.471   0.312
  690   HD21  ASN 100          HD21      ASN 100   4.786 -17.423   1.764
  691   HD22  ASN 100          HD22      ASN 100   5.425 -18.370   3.115
  692    H    ASN 101           H        ASN 101   0.297 -20.134   2.371
  693    HA   ASN 101           HA       ASN 101  -0.941 -19.711   4.659
  694    HB2  ASN 101           HB2      ASN 101  -1.202 -21.981   4.817
  695    HB3  ASN 101           HB3      ASN 101  -0.742 -21.791   3.132
  696   HD21  ASN 101          HD21      ASN 101   2.233 -21.470   3.767
  697   HD22  ASN 101          HD22      ASN 101   2.696 -22.873   4.683
  698    H    ASP 102           H        ASP 102   2.518 -19.578   4.836
  699    HA   ASP 102           HA       ASP 102   2.441 -19.829   7.828
  700    HB2  ASP 102           HB2      ASP 102   4.608 -20.571   5.829
  701    HB3  ASP 102           HB3      ASP 102   4.926 -20.369   7.547
  702    H    GLY 103           H        GLY 103   2.692 -17.484   5.427
  703    HA2  GLY 103           HA2      GLY 103   2.808 -15.229   6.091
  704    HA3  GLY 103           HA3      GLY 103   3.857 -15.630   7.441
  705    H    ILE 104           H        ILE 104   4.410 -16.368   3.954
  706    HA   ILE 104           HA       ILE 104   6.314 -14.073   3.833
  707    HB   ILE 104           HB       ILE 104   6.890 -16.571   2.188
  708   HG12  ILE 104          HG12      ILE 104   6.856 -17.576   4.413
  709   HG13  ILE 104          HG13      ILE 104   8.404 -17.625   3.592
  710   HG21  ILE 104          HG21      ILE 104   8.741 -14.429   3.240
  711   HG22  ILE 104          HG22      ILE 104   9.199 -15.778   2.184
  712   HG23  ILE 104          HG23      ILE 104   8.075 -14.545   1.604
  713   HD11  ILE 104          HD11      ILE 104   7.832 -15.600   5.763
  714   HD12  ILE 104          HD12      ILE 104   8.540 -17.200   6.044
  715   HD13  ILE 104          HD13      ILE 104   9.390 -16.045   5.014
  716    H    ALA 105           H        ALA 105   6.114 -12.794   2.162
  717    HA   ALA 105           HA       ALA 105   4.128 -13.447   0.034
  718    HB1  ALA 105           HB1      ALA 105   5.417 -10.813   0.878
  719    HB2  ALA 105           HB2      ALA 105   4.196 -11.028  -0.395
  720    HB3  ALA 105           HB3      ALA 105   3.774 -11.354   1.294
  721    H    THR 106           H        THR 106   4.731 -13.795  -2.009
  722    HA   THR 106           HA       THR 106   7.476 -13.173  -2.968
  723    HB   THR 106           HB       THR 106   7.512 -15.264  -1.607
  724    HG1  THR 106           HG1      THR 106   8.742 -16.357  -3.154
  725   HG21  THR 106          HG21      THR 106   6.032 -16.502  -3.977
  726   HG22  THR 106          HG22      THR 106   6.720 -17.355  -2.583
  727   HG23  THR 106          HG23      THR 106   5.343 -16.269  -2.354
  728    H    GLU 107           H        GLU 107   4.145 -13.607  -3.882
  729    HA   GLU 107           HA       GLU 107   4.829 -14.345  -6.625
  730    HB2  GLU 107           HB2      GLU 107   2.128 -13.661  -5.427
  731    HB3  GLU 107           HB3      GLU 107   2.445 -14.233  -7.072
  732    HG2  GLU 107           HG2      GLU 107   3.672 -16.231  -5.850
  733    HG3  GLU 107           HG3      GLU 107   2.682 -15.746  -4.466
  734    HA   PRO 108           HA       PRO 108   5.043 -10.031  -7.912
  735    HB2  PRO 108           HB2      PRO 108   5.407 -10.344 -10.600
  736    HB3  PRO 108           HB3      PRO 108   6.673 -10.709  -9.396
  737    HG2  PRO 108           HG2      PRO 108   4.792 -12.638 -10.755
  738    HG3  PRO 108           HG3      PRO 108   6.552 -12.804 -10.494
  739    HD2  PRO 108           HD2      PRO 108   4.682 -13.974  -8.855
  740    HD3  PRO 108           HD3      PRO 108   6.263 -13.399  -8.246
  741    H    VAL 109           H        VAL 109   3.732  -8.479  -8.738
  742    HA   VAL 109           HA       VAL 109   1.388  -9.137 -10.436
  743    HB   VAL 109           HB       VAL 109  -0.100  -7.667  -9.171
  744   HG11  VAL 109          HG11      VAL 109   0.949  -9.883  -7.366
  745   HG12  VAL 109          HG12      VAL 109  -0.666  -9.150  -7.344
  746   HG13  VAL 109          HG13      VAL 109  -0.156 -10.108  -8.742
  747   HG21  VAL 109          HG21      VAL 109   1.491  -6.200  -8.022
  748   HG22  VAL 109          HG22      VAL 109   0.400  -6.954  -6.858
  749   HG23  VAL 109          HG23      VAL 109   2.063  -7.556  -7.019
  750    H    THR 110           H        THR 110   0.402  -6.930 -11.289
  751    HA   THR 110           HA       THR 110   2.585  -4.922 -11.701
  752    HB   THR 110           HB       THR 110   0.827  -5.953 -13.958
  753    HG1  THR 110           HG1      THR 110   2.121  -7.567 -14.208
  754   HG21  THR 110          HG21      THR 110   3.538  -4.524 -13.959
  755   HG22  THR 110          HG22      THR 110   2.591  -4.985 -15.385
  756   HG23  THR 110          HG23      THR 110   1.981  -3.746 -14.287
  757    H    ALA 111           H        ALA 111   1.993  -2.870 -11.833
  758    HA   ALA 111           HA       ALA 111  -0.916  -2.188 -11.655
  759    HB1  ALA 111           HB1      ALA 111   1.550  -1.025 -10.324
  760    HB2  ALA 111           HB2      ALA 111  -0.045  -0.264 -10.282
  761    HB3  ALA 111           HB3      ALA 111   0.194  -1.875  -9.558
  762    HA   PRO 112           HA       PRO 112   0.490  -0.046 -15.571
  763    HB2  PRO 112           HB2      PRO 112  -1.964  -0.128 -16.831
  764    HB3  PRO 112           HB3      PRO 112  -0.747  -1.428 -16.903
  765    HG2  PRO 112           HG2      PRO 112  -3.138  -1.211 -15.058
  766    HG3  PRO 112           HG3      PRO 112  -2.611  -2.624 -16.030
  767    HD2  PRO 112           HD2      PRO 112  -2.005  -2.444 -13.416
  768    HD3  PRO 112           HD3      PRO 112  -0.787  -3.055 -14.572
  769    H    ARG 113           H        ARG 113  -1.529   0.779 -12.996
  770    HA   ARG 113           HA       ARG 113  -2.710   3.231 -14.014
  771    HB2  ARG 113           HB2      ARG 113  -2.140   2.466 -11.116
  772    HB3  ARG 113           HB3      ARG 113  -3.210   3.755 -11.680
  773    HG2  ARG 113           HG2      ARG 113  -4.615   1.981 -12.843
  774    HG3  ARG 113           HG3      ARG 113  -3.587   0.762 -12.095
  775    HD2  ARG 113           HD2      ARG 113  -5.089   0.709 -10.461
  776    HD3  ARG 113           HD3      ARG 113  -4.329   2.178  -9.861
  777    HE   ARG 113           HE       ARG 113  -6.191   3.186 -11.603
  778   HH11  ARG 113          HH11      ARG 113  -6.656   0.872  -8.898
  779   HH12  ARG 113          HH12      ARG 113  -8.405   1.147  -8.985
  780   HH21  ARG 113          HH21      ARG 113  -8.368   3.487 -11.417
  781   HH22  ARG 113          HH22      ARG 113  -9.280   2.533 -10.216
  782    H    LEU 114           H        LEU 114   0.441   2.326 -12.857
  783    HA   LEU 114           HA       LEU 114   1.482   5.123 -13.067
  784    HB2  LEU 114           HB2      LEU 114   2.096   2.939 -11.044
  785    HB3  LEU 114           HB3      LEU 114   3.228   4.233 -11.427
  786    HG   LEU 114           HG       LEU 114   2.157   4.723  -9.395
  787   HD11  LEU 114          HD11      LEU 114   1.032   6.612 -11.494
  788   HD12  LEU 114          HD12      LEU 114   1.475   6.987  -9.819
  789   HD13  LEU 114          HD13      LEU 114   2.733   6.535 -10.990
  790   HD21  LEU 114          HD21      LEU 114  -0.004   3.490  -9.740
  791   HD22  LEU 114          HD22      LEU 114  -0.156   5.092  -8.997
  792   HD23  LEU 114          HD23      LEU 114  -0.577   4.880 -10.695
  793    H    LYS 115           H        LYS 115   3.371   5.307 -14.198
  794    HA   LYS 115           HA       LYS 115   4.619   2.953 -15.508
  795    HB2  LYS 115           HB2      LYS 115   3.950   3.627 -17.718
  796    HB3  LYS 115           HB3      LYS 115   2.537   3.321 -16.734
  797    HG2  LYS 115           HG2      LYS 115   3.141   6.153 -16.495
  798    HG3  LYS 115           HG3      LYS 115   3.319   5.716 -18.185
  799    HD2  LYS 115           HD2      LYS 115   1.047   6.382 -17.932
  800    HD3  LYS 115           HD3      LYS 115   1.049   4.622 -18.089
  801    HE2  LYS 115           HE2      LYS 115  -0.513   5.162 -16.371
  802    HE3  LYS 115           HE3      LYS 115   0.880   4.415 -15.604
  803    HZ1  LYS 115           HZ1      LYS 115   0.390   7.354 -15.691
  804    HZ2  LYS 115           HZ2      LYS 115   0.087   6.376 -14.407
  805    HZ3  LYS 115           HZ3      LYS 115   1.624   6.644 -14.901
  806    H    SER 116           H        SER 116   5.533   5.010 -13.756
  807    HA   SER 116           HA       SER 116   8.153   4.901 -14.593
  808    HB2  SER 116           HB2      SER 116   6.984   7.561 -15.320
  809    HB3  SER 116           HB3      SER 116   8.654   7.440 -14.728
  810    HG   SER 116           HG       SER 116   7.515   5.994 -16.890
  811    H    LEU 117           H        LEU 117   9.462   5.040 -12.747
  812    HA   LEU 117           HA       LEU 117   8.316   5.577 -10.192
  813    HB2  LEU 117           HB2      LEU 117  11.199   5.580 -11.186
  814    HB3  LEU 117           HB3      LEU 117  10.783   5.981  -9.537
  815    HG   LEU 117           HG       LEU 117  11.542   3.780  -9.555
  816   HD11  LEU 117          HD11      LEU 117   8.523   3.584  -9.229
  817   HD12  LEU 117          HD12      LEU 117   9.759   2.576  -8.460
  818   HD13  LEU 117          HD13      LEU 117   9.631   4.290  -8.028
  819   HD21  LEU 117          HD21      LEU 117  11.135   3.161 -11.889
  820   HD22  LEU 117          HD22      LEU 117  10.631   1.920 -10.731
  821   HD23  LEU 117          HD23      LEU 117   9.401   2.943 -11.509
  822    H    ASP 118           H        ASP 118   9.826   7.774 -12.497
  823    HA   ASP 118           HA       ASP 118  10.074  10.105 -11.022
  824    HB2  ASP 118           HB2      ASP 118  10.672   9.475 -13.469
  825    HB3  ASP 118           HB3      ASP 118   9.045  10.011 -13.876
  826    H    GLU 119           H        GLU 119   7.007   8.615 -12.083
  827    HA   GLU 119           HA       GLU 119   5.344  10.956 -11.663
  828    HB2  GLU 119           HB2      GLU 119   4.637   7.991 -11.506
  829    HB3  GLU 119           HB3      GLU 119   3.490   9.321 -11.506
  830    HG2  GLU 119           HG2      GLU 119   4.415   9.972 -13.799
  831    HG3  GLU 119           HG3      GLU 119   5.263   8.421 -13.798
  832    H    VAL 120           H        VAL 120   6.846   8.656  -9.504
  833    HA   VAL 120           HA       VAL 120   4.962   9.313  -7.265
  834    HB   VAL 120           HB       VAL 120   5.217   6.952  -6.534
  835   HG11  VAL 120          HG11      VAL 120   4.103   7.263  -9.329
  836   HG12  VAL 120          HG12      VAL 120   3.726   5.969  -8.177
  837   HG13  VAL 120          HG13      VAL 120   3.250   7.634  -7.823
  838   HG21  VAL 120          HG21      VAL 120   7.373   6.425  -7.792
  839   HG22  VAL 120          HG22      VAL 120   6.081   5.234  -8.018
  840   HG23  VAL 120          HG23      VAL 120   6.416   6.415  -9.289
  841    H    LYS 121           H        LYS 121   7.924  10.072  -8.079
  842    HA   LYS 121           HA       LYS 121   9.730   9.330  -6.082
  843    HB2  LYS 121           HB2      LYS 121  10.904  11.400  -6.743
  844    HB3  LYS 121           HB3      LYS 121  10.303  10.477  -8.120
  845    HG2  LYS 121           HG2      LYS 121   8.254  12.081  -8.094
  846    HG3  LYS 121           HG3      LYS 121   9.199  13.074  -6.986
  847    HD2  LYS 121           HD2      LYS 121  10.878  13.485  -8.686
  848    HD3  LYS 121           HD3      LYS 121  10.214  12.198  -9.721
  849    HE2  LYS 121           HE2      LYS 121   8.015  13.505  -9.740
  850    HE3  LYS 121           HE3      LYS 121   8.899  14.861  -9.032
  851    HZ1  LYS 121           HZ1      LYS 121   9.510  13.540 -11.630
  852    HZ2  LYS 121           HZ2      LYS 121   8.748  14.952 -11.476
  853    HZ3  LYS 121           HZ3      LYS 121  10.318  14.858 -11.023
  854    H    ASP 122           H        ASP 122   7.094  11.590  -5.711
  855    HA   ASP 122           HA       ASP 122   7.920  12.668  -3.121
  856    HB2  ASP 122           HB2      ASP 122   5.476  12.857  -4.930
  857    HB3  ASP 122           HB3      ASP 122   5.433  13.510  -3.304
  858    H    LYS 123           H        LYS 123   6.531   9.658  -3.918
  859    HA   LYS 123           HA       LYS 123   4.477   9.800  -1.757
  860    HB2  LYS 123           HB2      LYS 123   4.445   8.470  -4.498
  861    HB3  LYS 123           HB3      LYS 123   3.182   8.293  -3.282
  862    HG2  LYS 123           HG2      LYS 123   3.125  10.878  -3.201
  863    HG3  LYS 123           HG3      LYS 123   4.033  10.853  -4.704
  864    HD2  LYS 123           HD2      LYS 123   1.385   9.398  -4.352
  865    HD3  LYS 123           HD3      LYS 123   1.455  11.099  -4.779
  866    HE2  LYS 123           HE2      LYS 123   2.798   8.922  -6.428
  867    HE3  LYS 123           HE3      LYS 123   1.139   9.477  -6.693
  868    HZ1  LYS 123           HZ1      LYS 123   2.194  11.788  -6.879
  869    HZ2  LYS 123           HZ2      LYS 123   3.609  10.989  -7.177
  870    HZ3  LYS 123           HZ3      LYS 123   2.333  10.773  -8.151
  871    H    ALA 124           H        ALA 124   3.554   7.739  -1.003
  872    HA   ALA 124           HA       ALA 124   5.690   5.741  -0.358
  873    HB1  ALA 124           HB1      ALA 124   3.221   6.587   1.224
  874    HB2  ALA 124           HB2      ALA 124   4.415   5.368   1.725
  875    HB3  ALA 124           HB3      ALA 124   4.898   7.062   1.570
  876    H    LEU 125           H        LEU 125   5.176   3.587  -0.232
  877    HA   LEU 125           HA       LEU 125   2.721   2.583  -1.643
  878    HB2  LEU 125           HB2      LEU 125   5.460   1.313  -1.250
  879    HB3  LEU 125           HB3      LEU 125   4.121   0.553  -2.087
  880    HG   LEU 125           HG       LEU 125   4.883   3.191  -3.232
  881   HD11  LEU 125          HD11      LEU 125   6.864   0.880  -3.191
  882   HD12  LEU 125          HD12      LEU 125   6.964   2.260  -4.308
  883   HD13  LEU 125          HD13      LEU 125   7.100   2.521  -2.558
  884   HD21  LEU 125          HD21      LEU 125   3.363   1.548  -4.370
  885   HD22  LEU 125          HD22      LEU 125   4.746   2.061  -5.352
  886   HD23  LEU 125          HD23      LEU 125   4.766   0.469  -4.579
  887    H    MET 126           H        MET 126   1.521   1.017  -0.473
  888    HA   MET 126           HA       MET 126   2.541   0.211   2.233
  889    HB2  MET 126           HB2      MET 126  -0.046   1.606   1.520
  890    HB3  MET 126           HB3      MET 126   0.110   0.626   2.992
  891    HG2  MET 126           HG2      MET 126   1.884   2.085   3.797
  892    HG3  MET 126           HG3      MET 126   1.852   3.025   2.314
  893    HE1  MET 126           HE1      MET 126   1.743   5.072   3.980
  894    HE2  MET 126           HE2      MET 126   0.406   5.396   5.108
  895    HE3  MET 126           HE3      MET 126   1.545   4.056   5.405
  896    H    ILE 127           H        ILE 127   1.998  -1.749   2.932
  897    HA   ILE 127           HA       ILE 127   0.345  -3.572   1.196
  898    HB   ILE 127           HB       ILE 127   2.527  -4.187   3.232
  899   HG12  ILE 127          HG12      ILE 127   2.271  -4.765   0.242
  900   HG13  ILE 127          HG13      ILE 127   3.251  -3.487   0.940
  901   HG21  ILE 127          HG21      ILE 127   0.695  -6.129   1.741
  902   HG22  ILE 127          HG22      ILE 127   2.075  -6.591   2.761
  903   HG23  ILE 127          HG23      ILE 127   0.680  -5.834   3.493
  904   HD11  ILE 127          HD11      ILE 127   3.719  -6.476   1.269
  905   HD12  ILE 127          HD12      ILE 127   4.702  -5.311   0.379
  906   HD13  ILE 127          HD13      ILE 127   4.614  -5.214   2.149
  907    H    HIS 128           H        HIS 128  -1.550  -4.168   1.941
  908    HA   HIS 128           HA       HIS 128  -2.435  -2.887   4.439
  909    HB2  HIS 128           HB2      HIS 128  -3.782  -3.548   1.825
  910    HB3  HIS 128           HB3      HIS 128  -4.637  -2.859   3.174
  911    HD1  HIS 128           HD1      HIS 128  -1.859  -1.858   0.792
  912    HD2  HIS 128           HD2      HIS 128  -4.369  -0.321   3.769
  913    HE1  HIS 128           HE1      HIS 128  -1.728   0.690   0.578
  914    H    VAL 129           H        VAL 129  -4.044  -3.795   5.819
  915    HA   VAL 129           HA       VAL 129  -3.206  -6.454   6.555
  916    HB   VAL 129           HB       VAL 129  -5.309  -4.624   7.732
  917   HG11  VAL 129          HG11      VAL 129  -4.292  -7.275   8.859
  918   HG12  VAL 129          HG12      VAL 129  -5.220  -6.069   9.779
  919   HG13  VAL 129          HG13      VAL 129  -5.969  -6.887   8.410
  920   HG21  VAL 129          HG21      VAL 129  -2.935  -3.889   7.918
  921   HG22  VAL 129          HG22      VAL 129  -3.586  -4.308   9.504
  922   HG23  VAL 129          HG23      VAL 129  -2.505  -5.436   8.660
  923    H    GLY 130           H        GLY 130  -6.352  -5.232   5.315
  924    HA2  GLY 130           HA2      GLY 130  -7.042  -8.034   4.475
  925    HA3  GLY 130           HA3      GLY 130  -8.148  -6.638   4.459
  926    H    GLY 131           H        GLY 131  -7.799  -8.167   2.227
  927    HA2  GLY 131           HA2      GLY 131  -6.193  -7.226   0.156
  928    HA3  GLY 131           HA3      GLY 131  -7.769  -7.986   0.007
  929    H    ASP 132           H        ASP 132  -8.528  -6.775  -1.656
  930    HA   ASP 132           HA       ASP 132  -8.633  -3.840  -1.437
  931    HB2  ASP 132           HB2      ASP 132  -6.273  -5.075  -2.076
  932    HB3  ASP 132           HB3      ASP 132  -6.871  -4.810  -3.658
  933    H    ASN 133           H        ASN 133 -10.743  -5.062  -1.584
  934    HA   ASN 133           HA       ASN 133 -11.958  -4.890  -4.266
  935    HB2  ASN 133           HB2      ASN 133 -12.585  -7.303  -4.181
  936    HB3  ASN 133           HB3      ASN 133 -10.849  -7.058  -4.282
  937   HD21  ASN 133          HD21      ASN 133 -13.498  -7.936  -2.048
  938   HD22  ASN 133          HD22      ASN 133 -12.448  -8.786  -0.918
  939    H    MET 134           H        MET 134 -12.420  -3.439  -1.794
  940    HA   MET 134           HA       MET 134 -15.044  -4.514  -0.794
  941    HB2  MET 134           HB2      MET 134 -12.697  -3.478   0.846
  942    HB3  MET 134           HB3      MET 134 -14.286  -3.912   1.482
  943    HG2  MET 134           HG2      MET 134 -13.991  -6.235   0.828
  944    HG3  MET 134           HG3      MET 134 -12.449  -5.881   0.060
  945    HE1  MET 134           HE1      MET 134 -10.836  -4.012   2.062
  946    HE2  MET 134           HE2      MET 134  -9.981  -5.289   2.939
  947    HE3  MET 134           HE3      MET 134 -10.241  -5.445   1.192
  948    H    SER 135           H        SER 135 -16.580  -3.018  -1.202
  949    HA   SER 135           HA       SER 135 -16.336  -0.350  -0.068
  950    HB2  SER 135           HB2      SER 135 -15.303  -0.278  -2.443
  951    HB3  SER 135           HB3      SER 135 -16.965  -0.465  -3.026
  952    HG   SER 135           HG       SER 135 -15.994   1.736  -2.633
  953    H    ASP 136           H        ASP 136 -18.486   0.865  -0.799
  954    HA   ASP 136           HA       ASP 136 -20.690   1.102  -0.487
  955    HB2  ASP 136           HB2      ASP 136 -20.610  -0.321  -2.598
  956    HB3  ASP 136           HB3      ASP 136 -21.110  -1.687  -1.597
  957    H    GLN 137           H        GLN 137 -19.182  -0.038   1.777
  958    HA   GLN 137           HA       GLN 137 -21.510  -1.015   3.341
  959    HB2  GLN 137           HB2      GLN 137 -20.246  -2.661   4.457
  960    HB3  GLN 137           HB3      GLN 137 -19.956  -2.900   2.754
  961    HG2  GLN 137           HG2      GLN 137 -18.057  -1.384   4.590
  962    HG3  GLN 137           HG3      GLN 137 -17.969  -3.113   4.345
  963   HE21  GLN 137          HE21      GLN 137 -17.899  -3.782   1.853
  964   HE22  GLN 137          HE22      GLN 137 -16.824  -2.771   0.933
  965    HA   PRO 138           HA       PRO 138 -20.862   2.334   5.923
  966    HB2  PRO 138           HB2      PRO 138 -21.705   1.564   8.407
  967    HB3  PRO 138           HB3      PRO 138 -22.783   1.662   6.978
  968    HG2  PRO 138           HG2      PRO 138 -21.340  -0.801   8.034
  969    HG3  PRO 138           HG3      PRO 138 -23.093  -0.628   7.704
  970    HD2  PRO 138           HD2      PRO 138 -21.474  -1.700   5.868
  971    HD3  PRO 138           HD3      PRO 138 -22.730  -0.536   5.351
  972    H    LYS 139           H        LYS 139 -18.906  -0.417   6.706
  973    HA   LYS 139           HA       LYS 139 -16.900   1.415   7.969
  974    HB2  LYS 139           HB2      LYS 139 -17.063  -1.622   7.862
  975    HB3  LYS 139           HB3      LYS 139 -15.603  -0.720   8.287
  976    HG2  LYS 139           HG2      LYS 139 -16.761   0.321  10.204
  977    HG3  LYS 139           HG3      LYS 139 -18.259  -0.519   9.778
  978    HD2  LYS 139           HD2      LYS 139 -17.108  -1.657  11.623
  979    HD3  LYS 139           HD3      LYS 139 -17.215  -2.695  10.195
  980    HE2  LYS 139           HE2      LYS 139 -14.871  -2.150   9.605
  981    HE3  LYS 139           HE3      LYS 139 -14.757  -1.061  11.000
  982    HZ1  LYS 139           HZ1      LYS 139 -15.220  -3.978  11.140
  983    HZ2  LYS 139           HZ2      LYS 139 -13.783  -3.200  11.458
  984    HZ3  LYS 139           HZ3      LYS 139 -15.081  -2.945  12.436
  985    HA   PRO 140           HA       PRO 140 -16.261   1.238   3.399
  986    HB2  PRO 140           HB2      PRO 140 -14.738   3.539   3.129
  987    HB3  PRO 140           HB3      PRO 140 -16.525   3.476   3.148
  988    HG2  PRO 140           HG2      PRO 140 -14.655   4.055   5.464
  989    HG3  PRO 140           HG3      PRO 140 -16.127   4.958   4.972
  990    HD2  PRO 140           HD2      PRO 140 -16.230   3.158   6.965
  991    HD3  PRO 140           HD3      PRO 140 -17.556   3.231   5.763
  992    H    LEU 141           H        LEU 141 -14.500   0.727   2.090
  993    HA   LEU 141           HA       LEU 141 -12.623  -0.438   1.542
  994    HB2  LEU 141           HB2      LEU 141 -11.338   0.638   4.100
  995    HB3  LEU 141           HB3      LEU 141 -10.538  -0.276   2.852
  996    HG   LEU 141           HG       LEU 141 -10.733   1.502   1.248
  997   HD11  LEU 141          HD11      LEU 141 -12.143   3.129   3.409
  998   HD12  LEU 141          HD12      LEU 141 -11.412   3.821   1.946
  999   HD13  LEU 141          HD13      LEU 141 -12.768   2.717   1.790
 1000   HD21  LEU 141          HD21      LEU 141  -8.801   1.429   2.737
 1001   HD22  LEU 141          HD22      LEU 141  -9.243   3.123   2.434
 1002   HD23  LEU 141          HD23      LEU 141  -9.671   2.366   3.973
 1003    H    GLY 142           H        GLY 142 -14.861  -1.395   3.276
 1004    HA2  GLY 142           HA2      GLY 142 -15.537  -3.386   4.228
 1005    HA3  GLY 142           HA3      GLY 142 -13.919  -4.057   3.929
 1006    H    GLY 143           H        GLY 143 -13.288  -1.332   5.632
 1007    HA2  GLY 143           HA2      GLY 143 -12.680  -0.992   7.887
 1008    HA3  GLY 143           HA3      GLY 143 -13.354  -2.590   8.316
 1009    H    GLY 144           H        GLY 144 -11.433  -3.061   5.609
 1010    HA2  GLY 144           HA2      GLY 144  -9.283  -4.273   7.262
 1011    HA3  GLY 144           HA3      GLY 144  -9.654  -4.590   5.550
 1012    H    GLY 145           H        GLY 145  -9.579  -1.299   5.935
 1013    HA2  GLY 145           HA2      GLY 145  -7.310  -1.059   4.217
 1014    HA3  GLY 145           HA3      GLY 145  -8.283   0.274   4.883
 1015    H    THR 146           H        THR 146  -6.763  -1.696   7.298
 1016    HA   THR 146           HA       THR 146  -4.754   0.362   7.938
 1017    HB   THR 146           HB       THR 146  -4.191  -1.342   9.790
 1018    HG1  THR 146           HG1      THR 146  -5.995  -2.804  10.116
 1019   HG21  THR 146          HG21      THR 146  -7.050  -0.274   9.680
 1020   HG22  THR 146          HG22      THR 146  -6.151  -0.742  11.137
 1021   HG23  THR 146          HG23      THR 146  -5.624   0.656  10.186
 1022    H    ARG 147           H        ARG 147  -2.474  -0.604   8.460
 1023    HA   ARG 147           HA       ARG 147  -1.575  -2.007   5.979
 1024    HB2  ARG 147           HB2      ARG 147   0.386  -0.229   7.349
 1025    HB3  ARG 147           HB3      ARG 147   0.224  -0.695   5.694
 1026    HG2  ARG 147           HG2      ARG 147  -0.167   1.580   5.736
 1027    HG3  ARG 147           HG3      ARG 147  -1.738   0.842   5.457
 1028    HD2  ARG 147           HD2      ARG 147  -2.002   2.729   6.884
 1029    HD3  ARG 147           HD3      ARG 147  -2.333   1.331   7.871
 1030    HE   ARG 147           HE       ARG 147  -0.214   3.294   8.170
 1031   HH11  ARG 147          HH11      ARG 147  -0.660  -0.158   9.030
 1032   HH12  ARG 147          HH12      ARG 147   0.211   0.075  10.488
 1033   HH21  ARG 147          HH21      ARG 147   0.777   3.430  10.190
 1034   HH22  ARG 147          HH22      ARG 147   1.077   1.938  11.037
 1035    H    TYR 148           H        TYR 148  -0.143  -3.689   6.120
 1036    HA   TYR 148           HA       TYR 148   0.937  -4.424   8.801
 1037    HB2  TYR 148           HB2      TYR 148  -0.085  -6.199   7.102
 1038    HB3  TYR 148           HB3      TYR 148   1.498  -6.124   6.331
 1039    HD1  TYR 148           HD1      TYR 148  -0.057  -6.276   9.717
 1040    HD2  TYR 148           HD2      TYR 148   3.129  -7.933   7.206
 1041    HE1  TYR 148           HE1      TYR 148   0.892  -7.472  11.670
 1042    HE2  TYR 148           HE2      TYR 148   4.127  -8.860   9.218
 1043    HH   TYR 148           HH       TYR 148   4.063  -9.087  11.526
 1044    H    ALA 149           H        ALA 149   1.884  -2.949   5.744
 1045    HA   ALA 149           HA       ALA 149   4.280  -2.005   7.088
 1046    HB1  ALA 149           HB1      ALA 149   4.696  -3.565   4.506
 1047    HB2  ALA 149           HB2      ALA 149   5.924  -2.879   5.596
 1048    HB3  ALA 149           HB3      ALA 149   4.968  -4.261   6.123
 1049    H    CYS 150           H        CYS 150   5.412  -0.323   5.965
 1050    HA   CYS 150           HA       CYS 150   4.110   0.936   3.616
 1051    HB2  CYS 150           HB2      CYS 150   3.188   2.018   5.612
 1052    HB3  CYS 150           HB3      CYS 150   4.812   2.281   6.245
 1053    H    GLY 151           H        GLY 151   5.539   2.196   2.378
 1054    HA2  GLY 151           HA2      GLY 151   8.407   2.349   3.099
 1055    HA3  GLY 151           HA3      GLY 151   8.015   1.410   1.669
 1056    H    VAL 152           H        VAL 152   8.914   4.356   2.685
 1057    HA   VAL 152           HA       VAL 152   7.684   6.103   0.732
 1058    HB   VAL 152           HB       VAL 152  10.216   6.418   2.395
 1059   HG11  VAL 152          HG11      VAL 152   8.628   8.517   0.843
 1060   HG12  VAL 152          HG12      VAL 152   9.906   8.873   2.030
 1061   HG13  VAL 152          HG13      VAL 152  10.310   8.015   0.551
 1062   HG21  VAL 152          HG21      VAL 152   8.208   6.144   3.793
 1063   HG22  VAL 152          HG22      VAL 152   8.767   7.810   3.860
 1064   HG23  VAL 152          HG23      VAL 152   7.357   7.389   2.859
 1065    H    ILE 153           H        ILE 153   8.332   6.673  -1.290
 1066    HA   ILE 153           HA       ILE 153  10.304   5.003  -2.681
 1067    HB   ILE 153           HB       ILE 153   8.427   7.225  -3.589
 1068   HG12  ILE 153          HG12      ILE 153   8.282   4.219  -4.077
 1069   HG13  ILE 153          HG13      ILE 153   7.436   4.995  -2.742
 1070   HG21  ILE 153          HG21      ILE 153  10.161   5.382  -5.300
 1071   HG22  ILE 153          HG22      ILE 153   8.871   6.428  -5.923
 1072   HG23  ILE 153          HG23      ILE 153  10.270   7.158  -5.189
 1073   HD11  ILE 153          HD11      ILE 153   6.921   5.471  -5.678
 1074   HD12  ILE 153          HD12      ILE 153   5.882   4.641  -4.538
 1075   HD13  ILE 153          HD13      ILE 153   6.151   6.376  -4.344
 1076    H    LYS 154           H        LYS 154  12.100   5.864  -3.998
 1077    HA   LYS 154           HA       LYS 154  13.572   8.028  -2.694
 1078    HB2  LYS 154           HB2      LYS 154  14.016   6.598  -5.351
 1079    HB3  LYS 154           HB3      LYS 154  15.124   7.752  -4.625
 1080    HG2  LYS 154           HG2      LYS 154  14.402   5.000  -3.524
 1081    HG3  LYS 154           HG3      LYS 154  15.915   5.512  -4.254
 1082    HD2  LYS 154           HD2      LYS 154  16.534   5.660  -2.062
 1083    HD3  LYS 154           HD3      LYS 154  15.935   7.304  -2.288
 1084    HE2  LYS 154           HE2      LYS 154  13.642   6.349  -1.425
 1085    HE3  LYS 154           HE3      LYS 154  14.579   4.927  -0.938
 1086    HZ1  LYS 154           HZ1      LYS 154  14.937   7.710  -0.015
 1087    HZ2  LYS 154           HZ2      LYS 154  14.425   6.440   0.890
 1088    HZ3  LYS 154           HZ3      LYS 154  15.987   6.494   0.363
  Start of MODEL   22
    1    H1   ALA   1           H1       ALA   1  12.247  -1.217 -14.606
    2    H2   ALA   1           H2       ALA   1  12.340  -0.617 -16.135
    3    H3   ALA   1           H3       ALA   1  11.102  -0.195 -15.161
    4    HA   ALA   1           HA       ALA   1  13.938   0.508 -14.723
    5    HB1  ALA   1           HB1      ALA   1  11.588   2.275 -15.554
    6    HB2  ALA   1           HB2      ALA   1  13.217   2.837 -15.137
    7    HB3  ALA   1           HB3      ALA   1  12.972   1.818 -16.572
    8    H    SER   2           H        SER   2  14.435   1.202 -12.666
    9    HA   SER   2           HA       SER   2  12.274   0.177 -10.878
   10    HB2  SER   2           HB2      SER   2  15.100  -0.870 -11.185
   11    HB3  SER   2           HB3      SER   2  13.740  -1.641 -10.347
   12    HG   SER   2           HG       SER   2  13.934  -2.587 -12.379
   13    H    GLU   3           H        GLU   3  12.422   0.137  -8.753
   14    HA   GLU   3           HA       GLU   3  14.788   0.967  -7.414
   15    HB2  GLU   3           HB2      GLU   3  13.721   3.223  -7.927
   16    HB3  GLU   3           HB3      GLU   3  12.363   2.740  -6.887
   17    HG2  GLU   3           HG2      GLU   3  13.986   4.177  -5.717
   18    HG3  GLU   3           HG3      GLU   3  13.899   2.574  -4.956
   19    H    LYS   4           H        LYS   4  14.860   0.220  -5.387
   20    HA   LYS   4           HA       LYS   4  12.670  -1.638  -4.592
   21    HB2  LYS   4           HB2      LYS   4  14.295  -2.782  -3.245
   22    HB3  LYS   4           HB3      LYS   4  15.008  -2.482  -4.833
   23    HG2  LYS   4           HG2      LYS   4  16.194  -0.453  -3.822
   24    HG3  LYS   4           HG3      LYS   4  15.544  -0.938  -2.255
   25    HD2  LYS   4           HD2      LYS   4  17.736  -1.695  -2.269
   26    HD3  LYS   4           HD3      LYS   4  16.757  -3.148  -2.504
   27    HE2  LYS   4           HE2      LYS   4  17.307  -3.206  -4.877
   28    HE3  LYS   4           HE3      LYS   4  18.014  -1.582  -4.805
   29    HZ1  LYS   4           HZ1      LYS   4  19.130  -3.945  -3.382
   30    HZ2  LYS   4           HZ2      LYS   4  19.733  -3.317  -4.777
   31    HZ3  LYS   4           HZ3      LYS   4  19.753  -2.434  -3.380
   32    H    VAL   5           H        VAL   5  11.356  -1.345  -2.855
   33    HA   VAL   5           HA       VAL   5  12.029   0.913  -0.971
   34    HB   VAL   5           HB       VAL   5   9.318   0.018  -1.988
   35   HG11  VAL   5          HG11      VAL   5  10.118   1.959   0.223
   36   HG12  VAL   5          HG12      VAL   5   8.552   2.057  -0.602
   37   HG13  VAL   5          HG13      VAL   5   8.974   0.605   0.313
   38   HG21  VAL   5          HG21      VAL   5  10.526   1.432  -3.601
   39   HG22  VAL   5          HG22      VAL   5   9.225   2.359  -2.861
   40   HG23  VAL   5          HG23      VAL   5  10.898   2.615  -2.324
   41    H    GLY   6           H        GLY   6  12.319   0.433   1.027
   42    HA2  GLY   6           HA2      GLY   6  11.732  -2.205   2.201
   43    HA3  GLY   6           HA3      GLY   6  12.498  -0.809   3.004
   44    H    MET   7           H        MET   7   9.763  -2.664   2.842
   45    HA   MET   7           HA       MET   7   7.830  -0.546   3.631
   46    HB2  MET   7           HB2      MET   7   7.421  -3.511   3.009
   47    HB3  MET   7           HB3      MET   7   6.152  -2.301   3.299
   48    HG2  MET   7           HG2      MET   7   7.223  -0.965   1.371
   49    HG3  MET   7           HG3      MET   7   8.150  -2.409   1.005
   50    HE1  MET   7           HE1      MET   7   5.077  -0.406   0.573
   51    HE2  MET   7           HE2      MET   7   3.794  -1.514   0.014
   52    HE3  MET   7           HE3      MET   7   4.293  -1.470   1.724
   53    H    ASN   8           H        ASN   8   7.866   0.007   5.762
   54    HA   ASN   8           HA       ASN   8   8.962  -1.950   7.677
   55    HB2  ASN   8           HB2      ASN   8   9.683   0.529   7.366
   56    HB3  ASN   8           HB3      ASN   8   8.254   0.912   8.345
   57   HD21  ASN   8          HD21      ASN   8  11.521  -0.193   8.341
   58   HD22  ASN   8          HD22      ASN   8  11.620  -0.614  10.052
   59    H    LEU   9           H        LEU   9   8.003  -2.550   9.633
   60    HA   LEU   9           HA       LEU   9   5.132  -2.874   9.477
   61    HB2  LEU   9           HB2      LEU   9   7.166  -3.713  11.582
   62    HB3  LEU   9           HB3      LEU   9   5.486  -4.233  11.548
   63    HG   LEU   9           HG       LEU   9   7.539  -4.861   9.379
   64   HD11  LEU   9          HD11      LEU   9   6.378  -6.557  11.630
   65   HD12  LEU   9          HD12      LEU   9   7.380  -7.169  10.303
   66   HD13  LEU   9          HD13      LEU   9   8.063  -6.012  11.457
   67   HD21  LEU   9          HD21      LEU   9   5.298  -4.819   8.414
   68   HD22  LEU   9          HD22      LEU   9   5.804  -6.498   8.604
   69   HD23  LEU   9          HD23      LEU   9   4.658  -5.786   9.760
   70    H    VAL  10           H        VAL  10   5.000  -0.334   9.548
   71    HA   VAL  10           HA       VAL  10   4.842   0.932  12.096
   72    HB   VAL  10           HB       VAL  10   3.164   2.475  11.186
   73   HG11  VAL  10          HG11      VAL  10   5.488   2.015   9.278
   74   HG12  VAL  10          HG12      VAL  10   4.546   3.512   9.514
   75   HG13  VAL  10          HG13      VAL  10   5.546   2.900  10.821
   76   HG21  VAL  10          HG21      VAL  10   1.822   1.143   9.704
   77   HG22  VAL  10          HG22      VAL  10   2.560   2.425   8.766
   78   HG23  VAL  10          HG23      VAL  10   3.217   0.775   8.657
   79    H    THR  11           H        THR  11   3.507   0.791  13.798
   80    HA   THR  11           HA       THR  11   0.820  -0.413  13.481
   81    HB   THR  11           HB       THR  11   2.305  -2.303  13.631
   82    HG1  THR  11           HG1      THR  11   1.191  -3.108  15.635
   83   HG21  THR  11          HG21      THR  11   2.924  -1.545  16.518
   84   HG22  THR  11          HG22      THR  11   3.632  -2.828  15.524
   85   HG23  THR  11          HG23      THR  11   4.032  -1.131  15.198
   86    H    ALA  12           H        ALA  12   1.239   2.113  13.906
   87    HA   ALA  12           HA       ALA  12   0.349   3.890  15.050
   88    HB1  ALA  12           HB1      ALA  12  -0.345   1.934  17.295
   89    HB2  ALA  12           HB2      ALA  12  -0.830   3.611  17.180
   90    HB3  ALA  12           HB3      ALA  12  -1.410   2.451  15.968
   91    H    GLN  13           H        GLN  13   2.521   1.739  16.879
   92    HA   GLN  13           HA       GLN  13   3.727   3.905  18.362
   93    HB2  GLN  13           HB2      GLN  13   5.379   2.212  19.119
   94    HB3  GLN  13           HB3      GLN  13   3.721   2.318  19.669
   95    HG2  GLN  13           HG2      GLN  13   3.906   0.365  17.502
   96    HG3  GLN  13           HG3      GLN  13   5.070   0.081  18.820
   97   HE21  GLN  13          HE21      GLN  13   1.567   0.448  18.116
   98   HE22  GLN  13          HE22      GLN  13   1.169   0.706  19.809
   99    H    GLY  14           H        GLY  14   3.820   4.530  15.686
  100    HA2  GLY  14           HA2      GLY  14   5.313   5.755  14.357
  101    HA3  GLY  14           HA3      GLY  14   6.650   5.199  15.405
  102    H    VAL  15           H        VAL  15   7.906   4.961  13.483
  103    HA   VAL  15           HA       VAL  15   7.472   2.726  11.640
  104    HB   VAL  15           HB       VAL  15  10.022   4.149  12.482
  105   HG11  VAL  15          HG11      VAL  15   9.479   2.399  10.054
  106   HG12  VAL  15          HG12      VAL  15  10.990   3.259  10.396
  107   HG13  VAL  15          HG13      VAL  15  10.485   1.936  11.453
  108   HG21  VAL  15          HG21      VAL  15   8.462   5.735  11.413
  109   HG22  VAL  15          HG22      VAL  15   9.792   5.361  10.320
  110   HG23  VAL  15          HG23      VAL  15   8.207   4.597  10.073
  111    H    GLY  16           H        GLY  16   7.801   0.617  12.085
  112    HA2  GLY  16           HA2      GLY  16   8.185  -0.062  14.957
  113    HA3  GLY  16           HA3      GLY  16   7.423  -1.073  13.697
  114    H    GLN  17           H        GLN  17   8.825  -2.096  12.120
  115    HA   GLN  17           HA       GLN  17  11.606  -1.889  12.298
  116    HB2  GLN  17           HB2      GLN  17  12.386  -3.975  13.018
  117    HB3  GLN  17           HB3      GLN  17  11.387  -3.353  14.304
  118    HG2  GLN  17           HG2      GLN  17   9.846  -5.050  14.140
  119    HG3  GLN  17           HG3      GLN  17  10.014  -5.202  12.377
  120   HE21  GLN  17          HE21      GLN  17  11.923  -6.323  11.486
  121   HE22  GLN  17          HE22      GLN  17  12.801  -7.438  12.517
  122    H    SER  18           H        SER  18  12.763  -3.350  10.848
  123    HA   SER  18           HA       SER  18  11.196  -3.744   8.357
  124    HB2  SER  18           HB2      SER  18  12.959  -2.067   8.320
  125    HB3  SER  18           HB3      SER  18  14.135  -3.247   8.927
  126    HG   SER  18           HG       SER  18  14.368  -3.042   6.740
  127    H    ILE  19           H        ILE  19  11.461  -5.507   7.051
  128    HA   ILE  19           HA       ILE  19  12.537  -8.059   8.185
  129    HB   ILE  19           HB       ILE  19  10.280  -9.069   7.914
  130   HG12  ILE  19          HG12      ILE  19   8.976  -6.349   7.992
  131   HG13  ILE  19          HG13      ILE  19   9.594  -6.906   6.428
  132   HG21  ILE  19          HG21      ILE  19  10.268  -6.815   9.952
  133   HG22  ILE  19          HG22      ILE  19   9.355  -8.326  10.010
  134   HG23  ILE  19          HG23      ILE  19  11.116  -8.369  10.135
  135   HD11  ILE  19          HD11      ILE  19   7.558  -8.340   8.127
  136   HD12  ILE  19          HD12      ILE  19   7.310  -7.549   6.555
  137   HD13  ILE  19          HD13      ILE  19   8.315  -9.009   6.654
  138    H    GLY  20           H        GLY  20  12.657  -6.244   5.598
  139    HA2  GLY  20           HA2      GLY  20  13.301  -7.734   3.470
  140    HA3  GLY  20           HA3      GLY  20  11.564  -8.032   3.532
  141    H    THR  21           H        THR  21  12.342  -6.917   1.269
  142    HA   THR  21           HA       THR  21  11.119  -4.214   1.486
  143    HB   THR  21           HB       THR  21  12.529  -3.247  -0.109
  144    HG1  THR  21           HG1      THR  21  13.601  -5.805  -0.639
  145   HG21  THR  21          HG21      THR  21  14.514  -4.957   1.416
  146   HG22  THR  21          HG22      THR  21  14.781  -3.378   0.659
  147   HG23  THR  21          HG23      THR  21  13.718  -3.508   2.073
  148    H    VAL  22           H        VAL  22  10.467  -3.591  -0.907
  149    HA   VAL  22           HA       VAL  22   9.688  -5.975  -2.489
  150    HB   VAL  22           HB       VAL  22   7.973  -3.449  -2.274
  151   HG11  VAL  22          HG11      VAL  22   7.861  -5.951  -3.973
  152   HG12  VAL  22          HG12      VAL  22   6.430  -5.051  -3.667
  153   HG13  VAL  22          HG13      VAL  22   7.776  -4.261  -4.505
  154   HG21  VAL  22          HG21      VAL  22   7.634  -4.806  -0.283
  155   HG22  VAL  22          HG22      VAL  22   6.236  -5.020  -1.348
  156   HG23  VAL  22          HG23      VAL  22   7.475  -6.278  -1.246
  157    H    VAL  23           H        VAL  23  10.329  -5.844  -4.588
  158    HA   VAL  23           HA       VAL  23  11.761  -3.370  -5.410
  159    HB   VAL  23           HB       VAL  23  12.832  -5.550  -5.723
  160   HG11  VAL  23          HG11      VAL  23  10.775  -6.192  -7.778
  161   HG12  VAL  23          HG12      VAL  23  12.400  -6.907  -7.719
  162   HG13  VAL  23          HG13      VAL  23  11.349  -7.114  -6.339
  163   HG21  VAL  23          HG21      VAL  23  13.456  -3.480  -7.001
  164   HG22  VAL  23          HG22      VAL  23  13.812  -4.968  -7.893
  165   HG23  VAL  23          HG23      VAL  23  12.382  -4.007  -8.316
  166    H    ILE  24           H        ILE  24  10.985  -1.915  -6.856
  167    HA   ILE  24           HA       ILE  24   8.517  -2.638  -8.385
  168    HB   ILE  24           HB       ILE  24   9.464   0.116  -7.511
  169   HG12  ILE  24          HG12      ILE  24   7.587  -1.864  -6.314
  170   HG13  ILE  24          HG13      ILE  24   8.378  -0.538  -5.559
  171   HG21  ILE  24          HG21      ILE  24   7.062  -0.727  -9.206
  172   HG22  ILE  24          HG22      ILE  24   7.425   0.929  -8.648
  173   HG23  ILE  24          HG23      ILE  24   8.495   0.159  -9.785
  174   HD11  ILE  24          HD11      ILE  24   5.852  -0.257  -7.186
  175   HD12  ILE  24          HD12      ILE  24   6.050  -0.200  -5.439
  176   HD13  ILE  24          HD13      ILE  24   6.785   1.074  -6.423
  177    H    ASP  25           H        ASP  25   8.705  -2.752 -10.483
  178    HA   ASP  25           HA       ASP  25  10.949  -1.457 -11.952
  179    HB2  ASP  25           HB2      ASP  25  11.743  -3.545 -11.581
  180    HB3  ASP  25           HB3      ASP  25  10.183  -4.369 -11.822
  181    H    GLU  26           H        GLU  26   9.795   0.037 -12.835
  182    HA   GLU  26           HA       GLU  26   7.159   0.004 -13.870
  183    HB2  GLU  26           HB2      GLU  26   8.915   1.896 -13.201
  184    HB3  GLU  26           HB3      GLU  26   9.428   1.740 -14.887
  185    HG2  GLU  26           HG2      GLU  26   7.025   2.927 -13.631
  186    HG3  GLU  26           HG3      GLU  26   8.092   3.490 -14.907
  187    H    THR  27           H        THR  27   6.331  -0.269 -16.016
  188    HA   THR  27           HA       THR  27   8.129  -0.494 -18.241
  189    HB   THR  27           HB       THR  27   8.588  -2.694 -17.364
  190    HG1  THR  27           HG1      THR  27   8.064  -3.889 -19.129
  191   HG21  THR  27          HG21      THR  27   5.588  -3.155 -17.364
  192   HG22  THR  27          HG22      THR  27   6.784  -4.475 -17.327
  193   HG23  THR  27          HG23      THR  27   6.736  -3.299 -16.021
  194    H    GLU  28           H        GLU  28   6.797  -1.378 -20.233
  195    HA   GLU  28           HA       GLU  28   4.647   0.508 -20.601
  196    HB2  GLU  28           HB2      GLU  28   6.161  -0.244 -22.365
  197    HB3  GLU  28           HB3      GLU  28   5.502  -1.892 -22.261
  198    HG2  GLU  28           HG2      GLU  28   3.361  -1.140 -23.128
  199    HG3  GLU  28           HG3      GLU  28   3.794   0.559 -22.899
  200    H    GLY  29           H        GLY  29   4.690  -2.657 -19.205
  201    HA2  GLY  29           HA2      GLY  29   1.727  -2.840 -19.204
  202    HA3  GLY  29           HA3      GLY  29   2.842  -4.116 -18.615
  203    H    GLY  30           H        GLY  30   3.708  -1.076 -17.652
  204    HA2  GLY  30           HA2      GLY  30   3.411   0.344 -15.874
  205    HA3  GLY  30           HA3      GLY  30   2.104  -0.654 -15.248
  206    H    LEU  31           H        LEU  31   3.150   0.104 -13.307
  207    HA   LEU  31           HA       LEU  31   5.696  -0.643 -12.414
  208    HB2  LEU  31           HB2      LEU  31   3.142  -0.235 -10.811
  209    HB3  LEU  31           HB3      LEU  31   4.765  -0.289 -10.096
  210    HG   LEU  31           HG       LEU  31   3.791   1.788 -12.128
  211   HD11  LEU  31          HD11      LEU  31   4.182   1.996  -9.104
  212   HD12  LEU  31          HD12      LEU  31   3.757   3.331 -10.195
  213   HD13  LEU  31          HD13      LEU  31   2.623   1.987  -9.960
  214   HD21  LEU  31          HD21      LEU  31   6.277   1.431 -12.139
  215   HD22  LEU  31          HD22      LEU  31   5.805   3.039 -11.567
  216   HD23  LEU  31          HD23      LEU  31   6.308   1.800 -10.407
  217    H    LYS  32           H        LYS  32   6.502  -2.652 -12.546
  218    HA   LYS  32           HA       LYS  32   4.950  -5.010 -11.770
  219    HB2  LYS  32           HB2      LYS  32   6.685  -4.765 -13.693
  220    HB3  LYS  32           HB3      LYS  32   7.898  -4.889 -12.418
  221    HG2  LYS  32           HG2      LYS  32   6.623  -7.099 -11.753
  222    HG3  LYS  32           HG3      LYS  32   5.859  -6.910 -13.347
  223    HD2  LYS  32           HD2      LYS  32   7.718  -8.335 -13.726
  224    HD3  LYS  32           HD3      LYS  32   8.195  -6.743 -14.339
  225    HE2  LYS  32           HE2      LYS  32   9.273  -6.362 -12.007
  226    HE3  LYS  32           HE3      LYS  32   9.012  -8.101 -11.729
  227    HZ1  LYS  32           HZ1      LYS  32  10.676  -6.770 -13.768
  228    HZ2  LYS  32           HZ2      LYS  32  11.180  -7.842 -12.639
  229    HZ3  LYS  32           HZ3      LYS  32  10.273  -8.360 -13.924
  230    H    PHE  33           H        PHE  33   4.708  -5.501  -9.728
  231    HA   PHE  33           HA       PHE  33   6.503  -4.546  -7.579
  232    HB2  PHE  33           HB2      PHE  33   3.866  -4.368  -7.862
  233    HB3  PHE  33           HB3      PHE  33   3.884  -6.049  -7.308
  234    HD1  PHE  33           HD1      PHE  33   5.459  -2.759  -6.471
  235    HD2  PHE  33           HD2      PHE  33   3.380  -6.240  -5.014
  236    HE1  PHE  33           HE1      PHE  33   5.525  -1.852  -4.131
  237    HE2  PHE  33           HE2      PHE  33   3.359  -5.277  -2.722
  238    HZ   PHE  33           HZ       PHE  33   4.453  -3.090  -2.279
  239    H    THR  34           H        THR  34   8.081  -6.095  -6.727
  240    HA   THR  34           HA       THR  34   7.114  -8.925  -6.596
  241    HB   THR  34           HB       THR  34   9.936  -8.228  -7.420
  242    HG1  THR  34           HG1      THR  34   7.558  -8.608  -8.744
  243   HG21  THR  34          HG21      THR  34   8.397 -10.860  -7.202
  244   HG22  THR  34          HG22      THR  34  10.007 -10.664  -7.930
  245   HG23  THR  34          HG23      THR  34   9.777 -10.359  -6.203
  246    HA   PRO  35           HA       PRO  35   8.410  -7.728  -2.454
  247    HB2  PRO  35           HB2      PRO  35   6.887  -9.462  -1.014
  248    HB3  PRO  35           HB3      PRO  35   6.131  -8.108  -1.924
  249    HG2  PRO  35           HG2      PRO  35   6.508 -10.984  -2.804
  250    HG3  PRO  35           HG3      PRO  35   4.983 -10.049  -2.824
  251    HD2  PRO  35           HD2      PRO  35   6.560 -10.316  -5.008
  252    HD3  PRO  35           HD3      PRO  35   5.699  -8.777  -4.675
  253    H    HIS  36           H        HIS  36   9.598  -8.682  -0.687
  254    HA   HIS  36           HA       HIS  36  10.330 -11.522  -0.940
  255    HB2  HIS  36           HB2      HIS  36  12.574 -11.301  -1.406
  256    HB3  HIS  36           HB3      HIS  36  11.875 -10.052  -2.422
  257    HD1  HIS  36           HD1      HIS  36  14.523 -10.487   0.107
  258    HD2  HIS  36           HD2      HIS  36  12.122  -7.438  -1.437
  259    HE1  HIS  36           HE1      HIS  36  15.622  -8.305   0.888
  260    H    LEU  37           H        LEU  37   8.768 -10.198   1.030
  261    HA   LEU  37           HA       LEU  37  10.546  -9.857   3.398
  262    HB2  LEU  37           HB2      LEU  37   7.570  -9.302   3.386
  263    HB3  LEU  37           HB3      LEU  37   8.832  -8.736   4.489
  264    HG   LEU  37           HG       LEU  37   9.699  -7.632   2.130
  265   HD11  LEU  37          HD11      LEU  37   6.639  -7.591   2.082
  266   HD12  LEU  37          HD12      LEU  37   7.701  -6.606   1.070
  267   HD13  LEU  37          HD13      LEU  37   7.697  -8.365   0.882
  268   HD21  LEU  37          HD21      LEU  37   9.520  -6.489   4.261
  269   HD22  LEU  37          HD22      LEU  37   8.779  -5.510   2.982
  270   HD23  LEU  37          HD23      LEU  37   7.748  -6.415   4.120
  271    H    LYS  38           H        LYS  38  10.364 -10.992   5.265
  272    HA   LYS  38           HA       LYS  38   8.921 -13.602   4.974
  273    HB2  LYS  38           HB2      LYS  38  10.831 -14.677   6.119
  274    HB3  LYS  38           HB3      LYS  38  11.206 -14.000   4.574
  275    HG2  LYS  38           HG2      LYS  38  11.768 -11.973   6.610
  276    HG3  LYS  38           HG3      LYS  38  12.444 -13.528   7.139
  277    HD2  LYS  38           HD2      LYS  38  14.110 -12.273   5.830
  278    HD3  LYS  38           HD3      LYS  38  13.637 -13.763   4.984
  279    HE2  LYS  38           HE2      LYS  38  11.911 -12.359   3.722
  280    HE3  LYS  38           HE3      LYS  38  12.649 -10.923   4.439
  281    HZ1  LYS  38           HZ1      LYS  38  14.041 -12.910   2.716
  282    HZ2  LYS  38           HZ2      LYS  38  13.455 -11.467   2.212
  283    HZ3  LYS  38           HZ3      LYS  38  14.709 -11.506   3.298
  284    H    ALA  39           H        ALA  39   7.830 -11.344   6.445
  285    HA   ALA  39           HA       ALA  39   7.029 -12.875   8.809
  286    HB1  ALA  39           HB1      ALA  39   8.536 -10.252   9.109
  287    HB2  ALA  39           HB2      ALA  39   7.704 -11.105  10.423
  288    HB3  ALA  39           HB3      ALA  39   9.105 -11.848   9.620
  289    H    LEU  40           H        LEU  40   5.205 -12.642   7.120
  290    HA   LEU  40           HA       LEU  40   3.442 -10.621   8.314
  291    HB2  LEU  40           HB2      LEU  40   2.536 -10.847   5.550
  292    HB3  LEU  40           HB3      LEU  40   2.802  -9.537   6.608
  293    HG   LEU  40           HG       LEU  40   5.327  -9.617   5.862
  294   HD11  LEU  40          HD11      LEU  40   4.149 -11.435   3.742
  295   HD12  LEU  40          HD12      LEU  40   5.794 -10.791   3.761
  296   HD13  LEU  40          HD13      LEU  40   5.293 -11.972   4.976
  297   HD21  LEU  40          HD21      LEU  40   3.663  -7.998   4.928
  298   HD22  LEU  40          HD22      LEU  40   4.819  -8.531   3.693
  299   HD23  LEU  40          HD23      LEU  40   3.180  -9.223   3.723
  300    HA   PRO  41           HA       PRO  41   0.809 -13.804   8.632
  301    HB2  PRO  41           HB2      PRO  41  -1.806 -12.792   8.166
  302    HB3  PRO  41           HB3      PRO  41  -0.870 -12.666   9.681
  303    HG2  PRO  41           HG2      PRO  41  -1.032 -10.709   7.424
  304    HG3  PRO  41           HG3      PRO  41  -1.164 -10.384   9.183
  305    HD2  PRO  41           HD2      PRO  41   1.165  -9.958   7.959
  306    HD3  PRO  41           HD3      PRO  41   1.100 -10.872   9.509
  307    HA   PRO  42           HA       PRO  42   1.188 -15.406   4.722
  308    HB2  PRO  42           HB2      PRO  42   1.043 -18.032   5.199
  309    HB3  PRO  42           HB3      PRO  42   1.986 -16.999   6.296
  310    HG2  PRO  42           HG2      PRO  42  -0.913 -17.802   6.669
  311    HG3  PRO  42           HG3      PRO  42   0.447 -18.139   7.780
  312    HD2  PRO  42           HD2      PRO  42  -1.075 -15.845   8.020
  313    HD3  PRO  42           HD3      PRO  42   0.687 -15.872   8.375
  314    H    GLY  43           H        GLY  43  -1.343 -14.306   4.752
  315    HA2  GLY  43           HA2      GLY  43  -3.131 -16.209   3.277
  316    HA3  GLY  43           HA3      GLY  43  -3.681 -14.802   4.214
  317    H    GLU  44           H        GLU  44  -4.596 -13.611   2.828
  318    HA   GLU  44           HA       GLU  44  -3.150 -12.634   0.397
  319    HB2  GLU  44           HB2      GLU  44  -6.160 -12.885   0.934
  320    HB3  GLU  44           HB3      GLU  44  -5.488 -12.112  -0.498
  321    HG2  GLU  44           HG2      GLU  44  -4.999 -14.089  -1.536
  322    HG3  GLU  44           HG3      GLU  44  -4.599 -14.933  -0.026
  323    H    HIS  45           H        HIS  45  -2.963 -10.469   0.155
  324    HA   HIS  45           HA       HIS  45  -4.068  -8.645   2.241
  325    HB2  HIS  45           HB2      HIS  45  -1.192  -9.428   1.608
  326    HB3  HIS  45           HB3      HIS  45  -1.528  -7.834   2.271
  327    HD1  HIS  45           HD1      HIS  45  -3.101  -8.034   4.680
  328    HD2  HIS  45           HD2      HIS  45  -1.427 -11.536   3.126
  329    HE1  HIS  45           HE1      HIS  45  -3.392  -9.832   6.491
  330    HE2  HIS  45           HE2      HIS  45  -2.212 -11.960   5.571
  331    H    GLY  46           H        GLY  46  -4.455  -6.605   1.556
  332    HA2  GLY  46           HA2      GLY  46  -4.433  -5.902  -1.108
  333    HA3  GLY  46           HA3      GLY  46  -4.583  -4.760   0.244
  334    H    PHE  47           H        PHE  47  -3.125  -4.157  -2.154
  335    HA   PHE  47           HA       PHE  47  -0.711  -3.126  -0.791
  336    HB2  PHE  47           HB2      PHE  47   0.423  -4.742  -2.017
  337    HB3  PHE  47           HB3      PHE  47  -0.806  -4.787  -3.289
  338    HD1  PHE  47           HD1      PHE  47   1.484  -2.069  -1.970
  339    HD2  PHE  47           HD2      PHE  47   0.195  -4.443  -5.312
  340    HE1  PHE  47           HE1      PHE  47   2.890  -0.673  -3.543
  341    HE2  PHE  47           HE2      PHE  47   1.558  -3.023  -6.862
  342    HZ   PHE  47           HZ       PHE  47   2.827  -1.102  -5.962
  343    H    HIS  48           H        HIS  48  -0.915  -0.918  -0.910
  344    HA   HIS  48           HA       HIS  48  -2.179   0.239  -3.416
  345    HB2  HIS  48           HB2      HIS  48  -2.262   1.241  -0.503
  346    HB3  HIS  48           HB3      HIS  48  -2.850   2.191  -1.851
  347    HD2  HIS  48           HD2      HIS  48  -4.348  -0.636  -3.075
  348    HE1  HIS  48           HE1      HIS  48  -6.962   0.227   0.133
  349    HE2  HIS  48           HE2      HIS  48  -6.666  -1.004  -2.104
  350    H    ILE  49           H        ILE  49  -1.778   2.412  -3.904
  351    HA   ILE  49           HA       ILE  49   0.685   3.731  -2.811
  352    HB   ILE  49           HB       ILE  49  -0.826   4.333  -5.360
  353   HG12  ILE  49          HG12      ILE  49   2.142   3.718  -5.197
  354   HG13  ILE  49          HG13      ILE  49   1.005   2.364  -5.125
  355   HG21  ILE  49          HG21      ILE  49   1.605   5.782  -4.167
  356   HG22  ILE  49          HG22      ILE  49   0.879   6.107  -5.754
  357   HG23  ILE  49          HG23      ILE  49  -0.017   6.474  -4.293
  358   HD11  ILE  49          HD11      ILE  49   1.135   4.386  -7.385
  359   HD12  ILE  49          HD12      ILE  49   1.755   2.716  -7.399
  360   HD13  ILE  49          HD13      ILE  49   0.012   3.011  -7.267
  361    H    HIS  50           H        HIS  50   0.510   5.718  -1.990
  362    HA   HIS  50           HA       HIS  50  -2.129   6.803  -1.120
  363    HB2  HIS  50           HB2      HIS  50   0.182   5.854   0.605
  364    HB3  HIS  50           HB3      HIS  50  -0.766   7.249   1.092
  365    HD1  HIS  50           HD1      HIS  50  -2.410   6.598   2.818
  366    HD2  HIS  50           HD2      HIS  50  -2.000   3.727  -0.191
  367    HE1  HIS  50           HE1      HIS  50  -4.138   4.756   3.367
  368    H    ALA  51           H        ALA  51  -1.779   9.111  -0.316
  369    HA   ALA  51           HA       ALA  51  -0.876  10.339  -2.669
  370    HB1  ALA  51           HB1      ALA  51  -1.732  11.667  -0.066
  371    HB2  ALA  51           HB2      ALA  51  -1.756  12.391  -1.683
  372    HB3  ALA  51           HB3      ALA  51  -2.829  11.031  -1.309
  373    H    ASN  52           H        ASN  52   1.023  10.094   0.245
  374    HA   ASN  52           HA       ASN  52   3.167  11.793  -0.983
  375    HB2  ASN  52           HB2      ASN  52   1.866  12.242   1.725
  376    HB3  ASN  52           HB3      ASN  52   3.501  12.792   1.381
  377   HD21  ASN  52          HD21      ASN  52   0.094  13.279   0.521
  378   HD22  ASN  52          HD22      ASN  52   0.376  14.747  -0.399
  379    H    GLY  53           H        GLY  53   5.308  11.600   0.151
  380    HA2  GLY  53           HA2      GLY  53   5.816   8.738   0.701
  381    HA3  GLY  53           HA3      GLY  53   6.979   9.971   0.211
  382    H    SER  54           H        SER  54   5.569   8.264   2.829
  383    HA   SER  54           HA       SER  54   7.761   8.360   4.533
  384    HB2  SER  54           HB2      SER  54   5.680  10.426   5.228
  385    HB3  SER  54           HB3      SER  54   6.615   9.616   6.491
  386    HG   SER  54           HG       SER  54   7.626  11.106   4.319
  387    H    CYS  55           H        CYS  55   6.806   7.622   6.939
  388    HA   CYS  55           HA       CYS  55   4.684   5.567   6.435
  389    HB2  CYS  55           HB2      CYS  55   7.050   5.544   8.367
  390    HB3  CYS  55           HB3      CYS  55   5.875   4.282   8.145
  391    H    GLN  56           H        GLN  56   5.688   8.185   8.482
  392    HA   GLN  56           HA       GLN  56   4.673   7.230  10.876
  393    HB2  GLN  56           HB2      GLN  56   5.582  10.010  10.024
  394    HB3  GLN  56           HB3      GLN  56   5.110   9.623  11.670
  395    HG2  GLN  56           HG2      GLN  56   7.377   9.418  11.792
  396    HG3  GLN  56           HG3      GLN  56   6.882   7.747  11.621
  397   HE21  GLN  56          HE21      GLN  56   9.497   9.330  10.959
  398   HE22  GLN  56          HE22      GLN  56   9.819   8.736   9.343
  399    HA   PRO  57           HA       PRO  57   0.414   8.644  10.992
  400    HB2  PRO  57           HB2      PRO  57  -0.224   8.124  13.575
  401    HB3  PRO  57           HB3      PRO  57   0.168   6.802  12.439
  402    HG2  PRO  57           HG2      PRO  57   2.024   8.136  14.434
  403    HG3  PRO  57           HG3      PRO  57   1.740   6.382  14.189
  404    HD2  PRO  57           HD2      PRO  57   3.832   7.717  13.025
  405    HD3  PRO  57           HD3      PRO  57   2.999   6.360  12.204
  406    H    ALA  58           H        ALA  58  -0.938  10.290  11.918
  407    HA   ALA  58           HA       ALA  58   0.370  12.416  13.547
  408    HB1  ALA  58           HB1      ALA  58  -2.252  12.307  11.984
  409    HB2  ALA  58           HB2      ALA  58  -1.851  13.595  13.126
  410    HB3  ALA  58           HB3      ALA  58  -0.833  13.355  11.706
  411    H    ILE  59           H        ILE  59  -0.763  13.046  15.523
  412    HA   ILE  59           HA       ILE  59  -2.305  10.798  16.814
  413    HB   ILE  59           HB       ILE  59  -0.234  12.534  18.193
  414   HG12  ILE  59          HG12      ILE  59   1.067  11.150  16.732
  415   HG13  ILE  59          HG13      ILE  59   1.239  10.631  18.396
  416   HG21  ILE  59          HG21      ILE  59  -1.802  10.083  19.106
  417   HG22  ILE  59          HG22      ILE  59  -0.493  10.856  20.025
  418   HG23  ILE  59          HG23      ILE  59  -1.981  11.746  19.695
  419   HD11  ILE  59          HD11      ILE  59  -0.402   9.219  16.268
  420   HD12  ILE  59          HD12      ILE  59   1.149   8.708  16.915
  421   HD13  ILE  59          HD13      ILE  59  -0.275   8.707  17.970
  422    H    LYS  60           H        LYS  60  -4.236  11.447  17.494
  423    HA   LYS  60           HA       LYS  60  -4.861  13.973  18.727
  424    HB2  LYS  60           HB2      LYS  60  -4.598  14.787  16.414
  425    HB3  LYS  60           HB3      LYS  60  -5.711  13.553  15.828
  426    HG2  LYS  60           HG2      LYS  60  -7.573  14.617  16.978
  427    HG3  LYS  60           HG3      LYS  60  -6.499  15.782  17.766
  428    HD2  LYS  60           HD2      LYS  60  -6.689  15.538  14.736
  429    HD3  LYS  60           HD3      LYS  60  -7.872  16.467  15.634
  430    HE2  LYS  60           HE2      LYS  60  -4.870  17.020  15.792
  431    HE3  LYS  60           HE3      LYS  60  -5.960  17.790  14.631
  432    HZ1  LYS  60           HZ1      LYS  60  -6.129  18.034  17.574
  433    HZ2  LYS  60           HZ2      LYS  60  -5.757  19.214  16.517
  434    HZ3  LYS  60           HZ3      LYS  60  -7.278  18.599  16.549
  435    H    ASP  61           H        ASP  61  -7.271  14.029  19.279
  436    HA   ASP  61           HA       ASP  61  -9.119  13.031  20.157
  437    HB2  ASP  61           HB2      ASP  61  -9.393  12.968  17.611
  438    HB3  ASP  61           HB3      ASP  61  -9.046  11.244  17.699
  439    H    GLY  62           H        GLY  62  -6.606  11.843  21.065
  440    HA2  GLY  62           HA2      GLY  62  -6.026  10.239  22.631
  441    HA3  GLY  62           HA3      GLY  62  -7.638   9.506  22.454
  442    H    GLN  63           H        GLN  63  -5.892   9.787  19.442
  443    HA   GLN  63           HA       GLN  63  -4.886   7.017  19.606
  444    HB2  GLN  63           HB2      GLN  63  -6.436   6.229  17.873
  445    HB3  GLN  63           HB3      GLN  63  -7.281   6.771  19.314
  446    HG2  GLN  63           HG2      GLN  63  -7.588   9.043  18.029
  447    HG3  GLN  63           HG3      GLN  63  -7.156   8.114  16.595
  448   HE21  GLN  63          HE21      GLN  63  -9.617   8.764  19.041
  449   HE22  GLN  63          HE22      GLN  63 -10.841   7.726  18.327
  450    H    ALA  64           H        ALA  64  -4.018   6.201  17.540
  451    HA   ALA  64           HA       ALA  64  -2.388   8.335  16.282
  452    HB1  ALA  64           HB1      ALA  64  -2.000   5.322  16.386
  453    HB2  ALA  64           HB2      ALA  64  -0.834   6.508  15.759
  454    HB3  ALA  64           HB3      ALA  64  -1.230   6.487  17.489
  455    H    VAL  65           H        VAL  65  -3.047   9.040  14.405
  456    HA   VAL  65           HA       VAL  65  -5.001   7.638  12.784
  457    HB   VAL  65           HB       VAL  65  -3.700  10.314  12.156
  458   HG11  VAL  65          HG11      VAL  65  -6.455   9.147  11.486
  459   HG12  VAL  65          HG12      VAL  65  -5.872  10.760  11.028
  460   HG13  VAL  65          HG13      VAL  65  -5.122   9.324  10.332
  461   HG21  VAL  65          HG21      VAL  65  -4.565  10.506  14.443
  462   HG22  VAL  65          HG22      VAL  65  -5.634  11.363  13.337
  463   HG23  VAL  65          HG23      VAL  65  -6.104   9.765  13.954
  464    H    ALA  66           H        ALA  66  -3.072   5.985  12.707
  465    HA   ALA  66           HA       ALA  66  -2.154   4.502  11.312
  466    HB1  ALA  66           HB1      ALA  66  -3.622   6.097   9.178
  467    HB2  ALA  66           HB2      ALA  66  -3.026   4.431   9.027
  468    HB3  ALA  66           HB3      ALA  66  -4.305   4.817  10.203
  469    H    ALA  67           H        ALA  67  -1.745   7.424   9.309
  470    HA   ALA  67           HA       ALA  67   1.102   7.348   9.028
  471    HB1  ALA  67           HB1      ALA  67  -0.463   5.948   6.836
  472    HB2  ALA  67           HB2      ALA  67   1.261   6.383   6.778
  473    HB3  ALA  67           HB3      ALA  67   0.712   5.193   7.947
  474    H    GLU  68           H        GLU  68  -0.547   9.554   9.475
  475    HA   GLU  68           HA       GLU  68  -1.508  10.957   7.193
  476    HB2  GLU  68           HB2      GLU  68  -2.066  11.464   9.557
  477    HB3  GLU  68           HB3      GLU  68  -0.406  11.981   9.814
  478    HG2  GLU  68           HG2      GLU  68  -1.596  13.960   9.675
  479    HG3  GLU  68           HG3      GLU  68  -0.830  13.864   8.120
  480    H    ALA  69           H        ALA  69   1.878  10.538   8.238
  481    HA   ALA  69           HA       ALA  69   2.889  12.730   6.594
  482    HB1  ALA  69           HB1      ALA  69   4.290  10.227   7.617
  483    HB2  ALA  69           HB2      ALA  69   5.052  11.739   7.065
  484    HB3  ALA  69           HB3      ALA  69   4.087  11.728   8.551
  485    H    ALA  70           H        ALA  70   1.648   9.595   5.856
  486    HA   ALA  70           HA       ALA  70   2.995   9.412   3.221
  487    HB1  ALA  70           HB1      ALA  70   1.100   7.462   4.567
  488    HB2  ALA  70           HB2      ALA  70   2.270   7.132   3.276
  489    HB3  ALA  70           HB3      ALA  70   2.832   7.479   4.924
  490    H    GLY  71           H        GLY  71   0.089  10.659   4.535
  491    HA2  GLY  71           HA2      GLY  71  -1.766  11.550   3.376
  492    HA3  GLY  71           HA3      GLY  71  -1.233  10.762   1.897
  493    H    GLY  72           H        GLY  72  -3.882  10.784   2.700
  494    HA2  GLY  72           HA2      GLY  72  -4.681   8.115   3.603
  495    HA3  GLY  72           HA3      GLY  72  -5.691   9.319   2.784
  496    H    HIS  73           H        HIS  73  -6.402   7.138   1.913
  497    HA   HIS  73           HA       HIS  73  -5.182   5.815  -0.299
  498    HB2  HIS  73           HB2      HIS  73  -8.018   6.653   0.322
  499    HB3  HIS  73           HB3      HIS  73  -7.644   5.865  -1.185
  500    HD2  HIS  73           HD2      HIS  73  -6.496   4.892   2.433
  501    HE1  HIS  73           HE1      HIS  73  -8.621   1.541   0.936
  502    HE2  HIS  73           HE2      HIS  73  -7.242   2.456   2.881
  503    H    LEU  74           H        LEU  74  -4.912   6.357  -2.399
  504    HA   LEU  74           HA       LEU  74  -4.194   9.061  -2.817
  505    HB2  LEU  74           HB2      LEU  74  -3.177   6.695  -3.501
  506    HB3  LEU  74           HB3      LEU  74  -3.978   6.954  -4.995
  507    HG   LEU  74           HG       LEU  74  -1.584   8.165  -3.781
  508   HD11  LEU  74          HD11      LEU  74  -2.312   7.959  -6.718
  509   HD12  LEU  74          HD12      LEU  74  -0.704   8.017  -5.956
  510   HD13  LEU  74          HD13      LEU  74  -1.729   6.576  -5.776
  511   HD21  LEU  74          HD21      LEU  74  -2.811  10.278  -3.947
  512   HD22  LEU  74          HD22      LEU  74  -1.475  10.132  -5.096
  513   HD23  LEU  74          HD23      LEU  74  -3.156   9.932  -5.666
  514    H    ASP  75           H        ASP  75  -6.471   9.729  -2.538
  515    HA   ASP  75           HA       ASP  75  -7.919  10.255  -5.092
  516    HB2  ASP  75           HB2      ASP  75  -8.695  10.495  -2.146
  517    HB3  ASP  75           HB3      ASP  75  -9.696  11.029  -3.487
  518    HA   PRO  76           HA       PRO  76  -5.284  13.997  -4.057
  519    HB2  PRO  76           HB2      PRO  76  -5.294  15.075  -6.654
  520    HB3  PRO  76           HB3      PRO  76  -4.077  13.963  -5.961
  521    HG2  PRO  76           HG2      PRO  76  -6.494  13.282  -7.651
  522    HG3  PRO  76           HG3      PRO  76  -4.818  12.654  -7.797
  523    HD2  PRO  76           HD2      PRO  76  -6.700  11.191  -6.557
  524    HD3  PRO  76           HD3      PRO  76  -5.069  11.303  -5.846
  525    H    GLN  77           H        GLN  77  -8.471  13.892  -5.607
  526    HA   GLN  77           HA       GLN  77  -9.204  15.556  -3.412
  527    HB2  GLN  77           HB2      GLN  77  -8.792  17.050  -5.757
  528    HB3  GLN  77           HB3      GLN  77 -10.524  16.791  -5.776
  529    HG2  GLN  77           HG2      GLN  77  -8.882  18.070  -3.548
  530    HG3  GLN  77           HG3      GLN  77  -9.949  18.902  -4.675
  531   HE21  GLN  77          HE21      GLN  77  -9.869  16.728  -1.816
  532   HE22  GLN  77          HE22      GLN  77 -11.592  16.875  -1.495
  533    H    ASN  78           H        ASN  78  -9.772  12.927  -5.075
  534    HA   ASN  78           HA       ASN  78 -12.077  13.421  -6.481
  535    HB2  ASN  78           HB2      ASN  78 -10.944  10.713  -5.658
  536    HB3  ASN  78           HB3      ASN  78 -12.031  11.018  -7.008
  537   HD21  ASN  78          HD21      ASN  78 -10.970  11.140  -8.984
  538   HD22  ASN  78          HD22      ASN  78  -9.316  11.708  -9.158
  539    H    THR  79           H        THR  79 -11.910  11.892  -3.307
  540    HA   THR  79           HA       THR  79 -14.497  12.153  -2.365
  541    HB   THR  79           HB       THR  79 -15.498  10.981  -4.181
  542    HG1  THR  79           HG1      THR  79 -16.381  10.394  -2.245
  543   HG21  THR  79          HG21      THR  79 -13.387   8.830  -3.738
  544   HG22  THR  79          HG22      THR  79 -14.889   8.553  -4.637
  545   HG23  THR  79          HG23      THR  79 -13.727   9.735  -5.222
  546    H    GLY  80           H        GLY  80 -11.759   9.847  -2.587
  547    HA2  GLY  80           HA2      GLY  80 -10.339   9.377  -0.742
  548    HA3  GLY  80           HA3      GLY  80 -11.599   9.920   0.386
  549    H    LYS  81           H        LYS  81 -11.656   7.471  -2.265
  550    HA   LYS  81           HA       LYS  81 -12.057   5.358  -0.280
  551    HB2  LYS  81           HB2      LYS  81 -14.252   4.611  -0.939
  552    HB3  LYS  81           HB3      LYS  81 -14.244   6.241  -0.291
  553    HG2  LYS  81           HG2      LYS  81 -14.136   6.891  -2.890
  554    HG3  LYS  81           HG3      LYS  81 -14.886   5.312  -3.081
  555    HD2  LYS  81           HD2      LYS  81 -15.941   7.541  -1.282
  556    HD3  LYS  81           HD3      LYS  81 -16.458   7.245  -2.937
  557    HE2  LYS  81           HE2      LYS  81 -17.132   4.884  -2.159
  558    HE3  LYS  81           HE3      LYS  81 -16.911   5.482  -0.502
  559    HZ1  LYS  81           HZ1      LYS  81 -18.765   6.556  -2.553
  560    HZ2  LYS  81           HZ2      LYS  81 -19.189   5.767  -1.162
  561    HZ3  LYS  81           HZ3      LYS  81 -18.532   7.264  -1.077
  562    H    HIS  82           H        HIS  82 -13.194   4.772  -3.633
  563    HA   HIS  82           HA       HIS  82 -10.885   3.022  -4.031
  564    HB2  HIS  82           HB2      HIS  82 -12.941   2.221  -2.247
  565    HB3  HIS  82           HB3      HIS  82 -13.236   1.321  -3.715
  566    HD2  HIS  82           HD2      HIS  82 -12.280  -0.985  -3.403
  567    HE1  HIS  82           HE1      HIS  82  -8.555  -0.135  -1.592
  568    HE2  HIS  82           HE2      HIS  82  -9.987  -1.925  -2.577
  569    H    GLU  83           H        GLU  83 -10.662   2.043  -5.919
  570    HA   GLU  83           HA       GLU  83 -12.923   1.814  -7.839
  571    HB2  GLU  83           HB2      GLU  83 -10.687   3.083  -8.432
  572    HB3  GLU  83           HB3      GLU  83 -10.039   1.480  -8.679
  573    HG2  GLU  83           HG2      GLU  83 -12.560   2.632 -10.000
  574    HG3  GLU  83           HG3      GLU  83 -10.954   2.631 -10.727
  575    H    GLY  84           H        GLY  84 -10.794  -0.381  -8.944
  576    HA2  GLY  84           HA2      GLY  84 -10.033  -2.514  -8.101
  577    HA3  GLY  84           HA3      GLY  84 -11.412  -2.571  -7.003
  578    HA   PRO  85           HA       PRO  85 -13.253  -4.797 -10.401
  579    HB2  PRO  85           HB2      PRO  85 -15.681  -5.377  -9.407
  580    HB3  PRO  85           HB3      PRO  85 -14.202  -5.819  -8.503
  581    HG2  PRO  85           HG2      PRO  85 -15.981  -3.388  -8.081
  582    HG3  PRO  85           HG3      PRO  85 -15.381  -4.546  -6.854
  583    HD2  PRO  85           HD2      PRO  85 -14.135  -2.134  -7.447
  584    HD3  PRO  85           HD3      PRO  85 -13.279  -3.573  -6.821
  585    H    GLU  86           H        GLU  86 -14.604  -1.667  -9.787
  586    HA   GLU  86           HA       GLU  86 -15.859  -0.764 -11.906
  587    HB2  GLU  86           HB2      GLU  86 -18.246  -1.355 -11.896
  588    HB3  GLU  86           HB3      GLU  86 -17.217  -2.654 -12.421
  589    HG2  GLU  86           HG2      GLU  86 -17.455  -3.720 -10.143
  590    HG3  GLU  86           HG3      GLU  86 -18.558  -2.427  -9.688
  591    H    GLY  87           H        GLY  87 -14.670   0.324  -9.806
  592    HA2  GLY  87           HA2      GLY  87 -16.662   1.306  -7.811
  593    HA3  GLY  87           HA3      GLY  87 -14.908   1.364  -7.677
  594    H    GLN  88           H        GLN  88 -14.860   3.580  -7.126
  595    HA   GLN  88           HA       GLN  88 -15.662   5.577  -9.159
  596    HB2  GLN  88           HB2      GLN  88 -17.445   6.528  -7.880
  597    HB3  GLN  88           HB3      GLN  88 -17.770   4.830  -8.079
  598    HG2  GLN  88           HG2      GLN  88 -17.958   4.535  -5.871
  599    HG3  GLN  88           HG3      GLN  88 -16.307   5.076  -5.608
  600   HE21  GLN  88          HE21      GLN  88 -16.559   7.875  -6.290
  601   HE22  GLN  88          HE22      GLN  88 -17.658   8.576  -5.101
  602    H    GLY  89           H        GLY  89 -13.185   4.962  -7.222
  603    HA2  GLY  89           HA2      GLY  89 -12.399   7.748  -7.024
  604    HA3  GLY  89           HA3      GLY  89 -12.714   7.055  -5.447
  605    H    HIS  90           H        HIS  90 -10.295   7.770  -5.470
  606    HA   HIS  90           HA       HIS  90  -8.114   7.246  -5.239
  607    HB2  HIS  90           HB2      HIS  90  -9.329   5.819  -3.651
  608    HB3  HIS  90           HB3      HIS  90  -9.373   4.543  -4.823
  609    HD2  HIS  90           HD2      HIS  90  -5.913   5.937  -4.919
  610    HE1  HIS  90           HE1      HIS  90  -5.691   2.968  -1.894
  611    HE2  HIS  90           HE2      HIS  90  -4.339   4.508  -3.406
  612    H    LEU  91           H        LEU  91  -6.939   7.567  -7.106
  613    HA   LEU  91           HA       LEU  91  -6.580   5.333  -9.031
  614    HB2  LEU  91           HB2      LEU  91  -5.010   6.842 -10.175
  615    HB3  LEU  91           HB3      LEU  91  -6.675   7.358 -10.178
  616    HG   LEU  91           HG       LEU  91  -4.880   8.525  -8.040
  617   HD11  LEU  91          HD11      LEU  91  -4.815   9.387 -10.966
  618   HD12  LEU  91          HD12      LEU  91  -4.061  10.248  -9.605
  619   HD13  LEU  91          HD13      LEU  91  -3.477   8.641 -10.061
  620   HD21  LEU  91          HD21      LEU  91  -7.242   9.224  -8.076
  621   HD22  LEU  91          HD22      LEU  91  -6.238  10.571  -8.637
  622   HD23  LEU  91          HD23      LEU  91  -7.136   9.607  -9.808
  623    H    GLY  92           H        GLY  92  -5.998   4.042  -7.092
  624    HA2  GLY  92           HA2      GLY  92  -3.218   3.438  -7.067
  625    HA3  GLY  92           HA3      GLY  92  -3.544   4.448  -5.677
  626    H    ASP  93           H        ASP  93  -6.309   2.487  -6.321
  627    HA   ASP  93           HA       ASP  93  -5.487   0.349  -4.496
  628    HB2  ASP  93           HB2      ASP  93  -7.967   0.298  -6.193
  629    HB3  ASP  93           HB3      ASP  93  -7.664  -0.507  -4.665
  630    H    LEU  94           H        LEU  94  -5.303  -1.911  -5.319
  631    HA   LEU  94           HA       LEU  94  -3.801  -1.942  -7.887
  632    HB2  LEU  94           HB2      LEU  94  -2.934  -0.875  -5.323
  633    HB3  LEU  94           HB3      LEU  94  -2.004  -2.317  -5.654
  634    HG   LEU  94           HG       LEU  94  -0.884  -1.354  -7.393
  635   HD11  LEU  94          HD11      LEU  94  -2.818   0.990  -7.519
  636   HD12  LEU  94          HD12      LEU  94  -1.336   0.819  -8.470
  637   HD13  LEU  94          HD13      LEU  94  -2.680  -0.292  -8.746
  638   HD21  LEU  94          HD21      LEU  94  -0.370  -0.467  -5.128
  639   HD22  LEU  94          HD22      LEU  94   0.175   0.526  -6.492
  640   HD23  LEU  94          HD23      LEU  94  -1.277   0.993  -5.585
  641    HA   PRO  95           HA       PRO  95  -4.123  -6.250  -7.585
  642    HB2  PRO  95           HB2      PRO  95  -1.742  -7.425  -8.199
  643    HB3  PRO  95           HB3      PRO  95  -2.655  -6.433  -9.380
  644    HG2  PRO  95           HG2      PRO  95  -0.357  -5.552  -7.599
  645    HG3  PRO  95           HG3      PRO  95  -0.536  -5.301  -9.355
  646    HD2  PRO  95           HD2      PRO  95  -1.202  -3.417  -7.533
  647    HD3  PRO  95           HD3      PRO  95  -2.171  -3.612  -9.030
  648    H    VAL  96           H        VAL  96  -4.399  -7.676  -5.943
  649    HA   VAL  96           HA       VAL  96  -3.323  -7.119  -3.419
  650    HB   VAL  96           HB       VAL  96  -4.305  -9.235  -2.588
  651   HG11  VAL  96          HG11      VAL  96  -6.147  -7.544  -4.322
  652   HG12  VAL  96          HG12      VAL  96  -6.619  -8.541  -2.929
  653   HG13  VAL  96          HG13      VAL  96  -5.572  -7.136  -2.689
  654   HG21  VAL  96          HG21      VAL  96  -4.080 -10.706  -4.525
  655   HG22  VAL  96          HG22      VAL  96  -5.761 -10.567  -4.001
  656   HG23  VAL  96          HG23      VAL  96  -5.216  -9.689  -5.449
  657    H    LEU  97           H        LEU  97  -1.834  -7.754  -2.213
  658    HA   LEU  97           HA       LEU  97   0.483  -9.254  -3.078
  659    HB2  LEU  97           HB2      LEU  97  -0.271  -7.291  -1.030
  660    HB3  LEU  97           HB3      LEU  97   0.439  -8.663  -0.235
  661    HG   LEU  97           HG       LEU  97   1.738  -7.036  -2.454
  662   HD11  LEU  97          HD11      LEU  97   2.357  -7.363   0.522
  663   HD12  LEU  97          HD12      LEU  97   3.337  -6.434  -0.631
  664   HD13  LEU  97          HD13      LEU  97   1.679  -5.904  -0.247
  665   HD21  LEU  97          HD21      LEU  97   2.536  -9.325  -2.641
  666   HD22  LEU  97          HD22      LEU  97   3.766  -8.377  -1.810
  667   HD23  LEU  97          HD23      LEU  97   2.690  -9.448  -0.863
  668    H    VAL  98           H        VAL  98  -0.354 -11.333  -3.501
  669    HA   VAL  98           HA       VAL  98  -1.482 -12.985  -1.381
  670    HB   VAL  98           HB       VAL  98  -0.029 -13.765  -3.934
  671   HG11  VAL  98          HG11      VAL  98  -1.545 -15.516  -1.929
  672   HG12  VAL  98          HG12      VAL  98  -1.004 -16.042  -3.538
  673   HG13  VAL  98          HG13      VAL  98   0.188 -15.621  -2.308
  674   HG21  VAL  98          HG21      VAL  98  -2.197 -12.644  -4.306
  675   HG22  VAL  98          HG22      VAL  98  -2.337 -14.367  -4.677
  676   HG23  VAL  98          HG23      VAL  98  -2.983 -13.737  -3.145
  677    H    VAL  99           H        VAL  99  -0.514 -14.018   0.244
  678    HA   VAL  99           HA       VAL  99   2.459 -13.865   0.574
  679    HB   VAL  99           HB       VAL  99   0.355 -13.949   2.793
  680   HG11  VAL  99          HG11      VAL  99   3.250 -13.110   2.768
  681   HG12  VAL  99          HG12      VAL  99   2.161 -13.042   4.175
  682   HG13  VAL  99          HG13      VAL  99   2.620 -14.620   3.450
  683   HG21  VAL  99          HG21      VAL  99   0.024 -11.809   1.622
  684   HG22  VAL  99          HG22      VAL  99   0.756 -11.605   3.226
  685   HG23  VAL  99          HG23      VAL  99   1.760 -11.457   1.760
  686    H    ASN 100           H        ASN 100   3.442 -15.899   1.022
  687    HA   ASN 100           HA       ASN 100   1.635 -18.180   0.584
  688    HB2  ASN 100           HB2      ASN 100   3.322 -19.215  -0.374
  689    HB3  ASN 100           HB3      ASN 100   4.119 -17.651  -0.395
  690   HD21  ASN 100          HD21      ASN 100   5.767 -17.240   1.284
  691   HD22  ASN 100          HD22      ASN 100   6.560 -18.646   2.019
  692    H    ASN 101           H        ASN 101   1.618 -20.067   1.815
  693    HA   ASN 101           HA       ASN 101   0.569 -19.823   4.218
  694    HB2  ASN 101           HB2      ASN 101   0.419 -22.117   4.331
  695    HB3  ASN 101           HB3      ASN 101   0.616 -21.807   2.609
  696   HD21  ASN 101          HD21      ASN 101   3.407 -21.530   2.305
  697   HD22  ASN 101          HD22      ASN 101   4.264 -22.765   3.156
  698    H    ASP 102           H        ASP 102   4.060 -19.970   3.967
  699    HA   ASP 102           HA       ASP 102   4.467 -20.667   6.810
  700    HB2  ASP 102           HB2      ASP 102   6.432 -20.143   4.548
  701    HB3  ASP 102           HB3      ASP 102   6.861 -20.706   6.165
  702    H    GLY 103           H        GLY 103   3.921 -17.773   5.181
  703    HA2  GLY 103           HA2      GLY 103   3.729 -15.736   6.398
  704    HA3  GLY 103           HA3      GLY 103   5.104 -16.171   7.421
  705    H    ILE 104           H        ILE 104   5.325 -16.475   3.931
  706    HA   ILE 104           HA       ILE 104   7.065 -14.034   3.851
  707    HB   ILE 104           HB       ILE 104   7.594 -16.640   2.356
  708   HG12  ILE 104          HG12      ILE 104   9.149 -15.682   4.782
  709   HG13  ILE 104          HG13      ILE 104   7.952 -16.946   4.830
  710   HG21  ILE 104          HG21      ILE 104   9.456 -14.266   2.703
  711   HG22  ILE 104          HG22      ILE 104   9.710 -15.699   1.694
  712   HG23  ILE 104          HG23      ILE 104   8.458 -14.553   1.263
  713   HD11  ILE 104          HD11      ILE 104  10.573 -17.035   3.311
  714   HD12  ILE 104          HD12      ILE 104  10.095 -17.977   4.727
  715   HD13  ILE 104          HD13      ILE 104   9.287 -18.263   3.175
  716    H    ALA 105           H        ALA 105   6.627 -12.626   2.313
  717    HA   ALA 105           HA       ALA 105   4.717 -13.318   0.121
  718    HB1  ALA 105           HB1      ALA 105   5.775 -10.632   1.120
  719    HB2  ALA 105           HB2      ALA 105   4.653 -10.864  -0.240
  720    HB3  ALA 105           HB3      ALA 105   4.150 -11.302   1.397
  721    H    THR 106           H        THR 106   5.657 -14.034  -1.669
  722    HA   THR 106           HA       THR 106   8.211 -12.829  -2.654
  723    HB   THR 106           HB       THR 106   8.548 -14.965  -1.445
  724    HG1  THR 106           HG1      THR 106   9.061 -14.774  -4.195
  725   HG21  THR 106          HG21      THR 106   7.087 -16.245  -3.809
  726   HG22  THR 106          HG22      THR 106   7.974 -17.086  -2.527
  727   HG23  THR 106          HG23      THR 106   6.490 -16.205  -2.139
  728    H    GLU 107           H        GLU 107   5.093 -12.937  -3.377
  729    HA   GLU 107           HA       GLU 107   5.071 -14.202  -5.969
  730    HB2  GLU 107           HB2      GLU 107   2.919 -12.747  -4.387
  731    HB3  GLU 107           HB3      GLU 107   2.648 -13.676  -5.860
  732    HG2  GLU 107           HG2      GLU 107   3.663 -14.756  -3.188
  733    HG3  GLU 107           HG3      GLU 107   2.065 -15.002  -3.892
  734    HA   PRO 108           HA       PRO 108   5.636 -10.195  -8.042
  735    HB2  PRO 108           HB2      PRO 108   5.946 -11.062 -10.618
  736    HB3  PRO 108           HB3      PRO 108   7.218 -11.240  -9.371
  737    HG2  PRO 108           HG2      PRO 108   5.180 -13.306 -10.254
  738    HG3  PRO 108           HG3      PRO 108   6.950 -13.511 -10.059
  739    HD2  PRO 108           HD2      PRO 108   5.179 -14.228  -8.094
  740    HD3  PRO 108           HD3      PRO 108   6.782 -13.544  -7.705
  741    H    VAL 109           H        VAL 109   4.225  -8.779  -8.837
  742    HA   VAL 109           HA       VAL 109   1.924  -9.524 -10.525
  743    HB   VAL 109           HB       VAL 109   0.319  -8.235  -9.183
  744   HG11  VAL 109          HG11      VAL 109   1.445 -10.528  -7.533
  745   HG12  VAL 109          HG12      VAL 109  -0.208  -9.890  -7.507
  746   HG13  VAL 109          HG13      VAL 109   0.395 -10.706  -8.960
  747   HG21  VAL 109          HG21      VAL 109   1.793  -6.789  -7.882
  748   HG22  VAL 109          HG22      VAL 109   0.744  -7.711  -6.801
  749   HG23  VAL 109          HG23      VAL 109   2.442  -8.187  -6.992
  750    H    THR 110           H        THR 110   0.726  -7.276 -11.146
  751    HA   THR 110           HA       THR 110   2.715  -5.076 -11.418
  752    HB   THR 110           HB       THR 110   1.306  -6.321 -13.818
  753    HG1  THR 110           HG1      THR 110   3.364  -7.095 -14.338
  754   HG21  THR 110          HG21      THR 110   3.634  -4.347 -13.642
  755   HG22  THR 110          HG22      THR 110   2.938  -5.011 -15.130
  756   HG23  THR 110          HG23      THR 110   1.973  -3.939 -14.114
  757    H    ALA 111           H        ALA 111   1.831  -3.086 -11.591
  758    HA   ALA 111           HA       ALA 111  -1.153  -2.873 -11.534
  759    HB1  ALA 111           HB1      ALA 111   1.004  -1.014 -10.480
  760    HB2  ALA 111           HB2      ALA 111  -0.744  -0.751 -10.366
  761    HB3  ALA 111           HB3      ALA 111   0.006  -2.125  -9.523
  762    HA   PRO 112           HA       PRO 112  -0.016  -1.164 -15.681
  763    HB2  PRO 112           HB2      PRO 112  -2.331  -1.796 -17.028
  764    HB3  PRO 112           HB3      PRO 112  -1.035  -2.979 -16.694
  765    HG2  PRO 112           HG2      PRO 112  -3.562  -2.489 -15.087
  766    HG3  PRO 112           HG3      PRO 112  -2.922  -4.054 -15.697
  767    HD2  PRO 112           HD2      PRO 112  -2.451  -3.260 -13.166
  768    HD3  PRO 112           HD3      PRO 112  -1.158  -4.050 -14.119
  769    H    ARG 113           H        ARG 113  -2.101  -0.015 -13.370
  770    HA   ARG 113           HA       ARG 113  -3.563   2.047 -14.868
  771    HB2  ARG 113           HB2      ARG 113  -3.116   1.419 -11.926
  772    HB3  ARG 113           HB3      ARG 113  -3.904   2.903 -12.423
  773    HG2  ARG 113           HG2      ARG 113  -4.963   0.143 -13.174
  774    HG3  ARG 113           HG3      ARG 113  -5.432   1.044 -11.727
  775    HD2  ARG 113           HD2      ARG 113  -6.081   2.974 -13.274
  776    HD3  ARG 113           HD3      ARG 113  -5.917   1.830 -14.618
  777    HE   ARG 113           HE       ARG 113  -7.652   0.672 -12.652
  778   HH11  ARG 113          HH11      ARG 113  -7.698   3.292 -15.046
  779   HH12  ARG 113          HH12      ARG 113  -9.433   3.116 -15.277
  780   HH21  ARG 113          HH21      ARG 113  -9.934   0.825 -12.754
  781   HH22  ARG 113          HH22      ARG 113 -10.626   1.804 -14.020
  782    H    LEU 114           H        LEU 114  -0.350   1.688 -13.759
  783    HA   LEU 114           HA       LEU 114   0.281   4.576 -14.159
  784    HB2  LEU 114           HB2      LEU 114   1.459   2.694 -12.056
  785    HB3  LEU 114           HB3      LEU 114   2.100   4.266 -12.502
  786    HG   LEU 114           HG       LEU 114  -0.408   5.071 -11.903
  787   HD11  LEU 114          HD11      LEU 114   0.047   2.680 -10.042
  788   HD12  LEU 114          HD12      LEU 114  -1.232   3.901  -9.879
  789   HD13  LEU 114          HD13      LEU 114  -1.237   2.798 -11.254
  790   HD21  LEU 114          HD21      LEU 114   1.667   5.935 -10.901
  791   HD22  LEU 114          HD22      LEU 114   0.413   5.700  -9.677
  792   HD23  LEU 114          HD23      LEU 114   1.741   4.528  -9.820
  793    H    LYS 115           H        LYS 115   2.179   4.885 -15.247
  794    HA   LYS 115           HA       LYS 115   3.721   2.680 -16.442
  795    HB2  LYS 115           HB2      LYS 115   2.003   4.513 -18.188
  796    HB3  LYS 115           HB3      LYS 115   3.236   3.378 -18.766
  797    HG2  LYS 115           HG2      LYS 115   1.945   1.506 -17.690
  798    HG3  LYS 115           HG3      LYS 115   0.635   2.666 -17.363
  799    HD2  LYS 115           HD2      LYS 115   0.499   3.154 -19.805
  800    HD3  LYS 115           HD3      LYS 115   1.701   1.885 -20.104
  801    HE2  LYS 115           HE2      LYS 115  -1.019   1.509 -18.746
  802    HE3  LYS 115           HE3      LYS 115  -0.635   1.076 -20.424
  803    HZ1  LYS 115           HZ1      LYS 115   0.554  -0.116 -17.998
  804    HZ2  LYS 115           HZ2      LYS 115  -0.467  -0.862 -19.067
  805    HZ3  LYS 115           HZ3      LYS 115   1.052  -0.449 -19.536
  806    H    SER 116           H        SER 116   4.161   5.017 -14.685
  807    HA   SER 116           HA       SER 116   6.859   5.059 -15.630
  808    HB2  SER 116           HB2      SER 116   6.205   7.041 -16.915
  809    HB3  SER 116           HB3      SER 116   5.555   7.800 -15.443
  810    HG   SER 116           HG       SER 116   7.725   8.458 -15.930
  811    H    LEU 117           H        LEU 117   8.312   5.292 -13.957
  812    HA   LEU 117           HA       LEU 117   7.306   5.181 -11.260
  813    HB2  LEU 117           HB2      LEU 117   9.423   4.099 -12.334
  814    HB3  LEU 117           HB3      LEU 117  10.176   5.674 -12.145
  815    HG   LEU 117           HG       LEU 117   9.744   5.496  -9.660
  816   HD11  LEU 117          HD11      LEU 117   8.966   2.623 -10.356
  817   HD12  LEU 117          HD12      LEU 117   9.279   3.233  -8.719
  818   HD13  LEU 117          HD13      LEU 117   7.899   3.841  -9.632
  819   HD21  LEU 117          HD21      LEU 117  11.936   4.919 -10.663
  820   HD22  LEU 117          HD22      LEU 117  11.582   3.866  -9.285
  821   HD23  LEU 117          HD23      LEU 117  11.391   3.252 -10.941
  822    H    ASP 118           H        ASP 118   8.246   7.784 -13.365
  823    HA   ASP 118           HA       ASP 118   8.618   9.901 -11.477
  824    HB2  ASP 118           HB2      ASP 118   7.464   9.924 -14.297
  825    HB3  ASP 118           HB3      ASP 118   7.845  11.356 -13.361
  826    H    GLU 119           H        GLU 119   5.642   8.176 -12.420
  827    HA   GLU 119           HA       GLU 119   3.796  10.213 -11.486
  828    HB2  GLU 119           HB2      GLU 119   3.462   7.208 -11.817
  829    HB3  GLU 119           HB3      GLU 119   2.160   8.310 -11.404
  830    HG2  GLU 119           HG2      GLU 119   2.289   9.451 -13.527
  831    HG3  GLU 119           HG3      GLU 119   3.742   8.557 -13.984
  832    H    VAL 120           H        VAL 120   5.937   8.098  -9.778
  833    HA   VAL 120           HA       VAL 120   4.398   8.529  -7.239
  834    HB   VAL 120           HB       VAL 120   4.957   6.291  -6.487
  835   HG11  VAL 120          HG11      VAL 120   3.567   6.171  -9.175
  836   HG12  VAL 120          HG12      VAL 120   3.443   5.002  -7.848
  837   HG13  VAL 120          HG13      VAL 120   2.816   6.645  -7.634
  838   HG21  VAL 120          HG21      VAL 120   7.053   5.912  -7.830
  839   HG22  VAL 120          HG22      VAL 120   5.900   4.573  -7.929
  840   HG23  VAL 120          HG23      VAL 120   6.040   5.712  -9.278
  841    H    LYS 121           H        LYS 121   7.148   9.569  -8.581
  842    HA   LYS 121           HA       LYS 121   9.128   8.691  -6.740
  843    HB2  LYS 121           HB2      LYS 121  10.619  10.069  -7.888
  844    HB3  LYS 121           HB3      LYS 121   9.474   9.484  -9.091
  845    HG2  LYS 121           HG2      LYS 121   8.282  11.704  -8.980
  846    HG3  LYS 121           HG3      LYS 121   9.475  12.249  -7.796
  847    HD2  LYS 121           HD2      LYS 121  11.200  11.457  -9.714
  848    HD3  LYS 121           HD3      LYS 121   9.798  11.729 -10.742
  849    HE2  LYS 121           HE2      LYS 121  11.007  13.755 -10.774
  850    HE3  LYS 121           HE3      LYS 121   9.631  14.066  -9.709
  851    HZ1  LYS 121           HZ1      LYS 121  12.365  13.335  -8.782
  852    HZ2  LYS 121           HZ2      LYS 121  11.777  14.870  -8.814
  853    HZ3  LYS 121           HZ3      LYS 121  11.140  13.721  -7.801
  854    H    ASP 122           H        ASP 122   6.700  10.492  -5.743
  855    HA   ASP 122           HA       ASP 122   8.229  11.767  -3.519
  856    HB2  ASP 122           HB2      ASP 122   7.470  13.396  -5.346
  857    HB3  ASP 122           HB3      ASP 122   5.811  13.005  -4.897
  858    H    LYS 123           H        LYS 123   6.337   9.264  -4.126
  859    HA   LYS 123           HA       LYS 123   4.193   9.777  -2.112
  860    HB2  LYS 123           HB2      LYS 123   4.290   7.934  -4.529
  861    HB3  LYS 123           HB3      LYS 123   2.969   8.009  -3.365
  862    HG2  LYS 123           HG2      LYS 123   2.743  10.486  -3.891
  863    HG3  LYS 123           HG3      LYS 123   3.864  10.228  -5.247
  864    HD2  LYS 123           HD2      LYS 123   2.342   8.520  -6.194
  865    HD3  LYS 123           HD3      LYS 123   1.299   8.658  -4.775
  866    HE2  LYS 123           HE2      LYS 123   0.229   9.806  -6.472
  867    HE3  LYS 123           HE3      LYS 123   0.833  11.040  -5.355
  868    HZ1  LYS 123           HZ1      LYS 123   2.293  10.319  -7.847
  869    HZ2  LYS 123           HZ2      LYS 123   1.195  11.529  -7.787
  870    HZ3  LYS 123           HZ3      LYS 123   2.530  11.636  -6.864
  871    H    ALA 124           H        ALA 124   3.217   7.530  -1.347
  872    HA   ALA 124           HA       ALA 124   5.410   5.724  -0.416
  873    HB1  ALA 124           HB1      ALA 124   2.857   6.531   1.036
  874    HB2  ALA 124           HB2      ALA 124   4.008   5.295   1.590
  875    HB3  ALA 124           HB3      ALA 124   4.517   6.981   1.488
  876    H    LEU 125           H        LEU 125   5.016   3.627  -0.303
  877    HA   LEU 125           HA       LEU 125   2.683   2.389  -1.700
  878    HB2  LEU 125           HB2      LEU 125   5.343   1.239  -0.776
  879    HB3  LEU 125           HB3      LEU 125   4.138   0.372  -1.731
  880    HG   LEU 125           HG       LEU 125   5.662   2.823  -2.714
  881   HD11  LEU 125          HD11      LEU 125   6.337  -0.105  -3.094
  882   HD12  LEU 125          HD12      LEU 125   7.165   1.281  -3.858
  883   HD13  LEU 125          HD13      LEU 125   7.209   1.060  -2.106
  884   HD21  LEU 125          HD21      LEU 125   4.983   2.194  -4.930
  885   HD22  LEU 125          HD22      LEU 125   4.298   0.669  -4.375
  886   HD23  LEU 125          HD23      LEU 125   3.512   2.206  -3.938
  887    H    MET 126           H        MET 126   1.509   0.774  -0.433
  888    HA   MET 126           HA       MET 126   2.484   0.282   2.351
  889    HB2  MET 126           HB2      MET 126  -0.378   1.089   1.700
  890    HB3  MET 126           HB3      MET 126   0.208   0.483   3.262
  891    HG2  MET 126           HG2      MET 126   1.792   2.437   3.346
  892    HG3  MET 126           HG3      MET 126   0.991   3.085   1.920
  893    HE1  MET 126           HE1      MET 126   0.549   5.277   3.013
  894    HE2  MET 126           HE2      MET 126  -0.292   5.540   4.550
  895    HE3  MET 126           HE3      MET 126   1.318   4.782   4.534
  896    H    ILE 127           H        ILE 127   2.085  -1.676   3.178
  897    HA   ILE 127           HA       ILE 127   0.661  -3.747   1.520
  898    HB   ILE 127           HB       ILE 127   2.289  -4.152   4.068
  899   HG12  ILE 127          HG12      ILE 127   3.054  -4.448   1.138
  900   HG13  ILE 127          HG13      ILE 127   3.803  -3.450   2.382
  901   HG21  ILE 127          HG21      ILE 127   1.026  -6.139   2.133
  902   HG22  ILE 127          HG22      ILE 127   2.117  -6.574   3.468
  903   HG23  ILE 127          HG23      ILE 127   0.565  -5.856   3.821
  904   HD11  ILE 127          HD11      ILE 127   3.990  -6.460   2.174
  905   HD12  ILE 127          HD12      ILE 127   5.263  -5.261   1.928
  906   HD13  ILE 127          HD13      ILE 127   4.590  -5.499   3.556
  907    H    HIS 128           H        HIS 128  -1.245  -4.623   2.246
  908    HA   HIS 128           HA       HIS 128  -2.510  -3.203   4.530
  909    HB2  HIS 128           HB2      HIS 128  -3.090  -3.319   1.629
  910    HB3  HIS 128           HB3      HIS 128  -4.495  -3.457   2.622
  911    HD1  HIS 128           HD1      HIS 128  -1.553  -1.228   3.648
  912    HD2  HIS 128           HD2      HIS 128  -5.366  -1.038   1.944
  913    HE1  HIS 128           HE1      HIS 128  -2.113   1.281   3.433
  914    H    VAL 129           H        VAL 129  -4.406  -3.988   5.466
  915    HA   VAL 129           HA       VAL 129  -3.669  -6.543   6.531
  916    HB   VAL 129           HB       VAL 129  -5.891  -4.608   7.258
  917   HG11  VAL 129          HG11      VAL 129  -5.031  -7.129   8.757
  918   HG12  VAL 129          HG12      VAL 129  -6.051  -5.841   9.436
  919   HG13  VAL 129          HG13      VAL 129  -6.643  -6.797   8.079
  920   HG21  VAL 129          HG21      VAL 129  -3.532  -3.864   7.645
  921   HG22  VAL 129          HG22      VAL 129  -4.409  -4.079   9.161
  922   HG23  VAL 129          HG23      VAL 129  -3.242  -5.308   8.623
  923    H    GLY 130           H        GLY 130  -6.832  -5.521   5.081
  924    HA2  GLY 130           HA2      GLY 130  -7.444  -8.375   4.385
  925    HA3  GLY 130           HA3      GLY 130  -8.476  -6.955   4.071
  926    H    GLY 131           H        GLY 131  -8.123  -8.481   1.915
  927    HA2  GLY 131           HA2      GLY 131  -6.066  -7.800   0.074
  928    HA3  GLY 131           HA3      GLY 131  -7.680  -8.408  -0.265
  929    H    ASP 132           H        ASP 132  -8.100  -7.077  -1.989
  930    HA   ASP 132           HA       ASP 132  -8.573  -4.249  -1.389
  931    HB2  ASP 132           HB2      ASP 132  -6.134  -4.530  -1.923
  932    HB3  ASP 132           HB3      ASP 132  -6.573  -5.028  -3.546
  933    H    ASN 133           H        ASN 133 -10.646  -5.563  -1.725
  934    HA   ASN 133           HA       ASN 133 -11.724  -4.594  -4.291
  935    HB2  ASN 133           HB2      ASN 133 -12.736  -6.706  -4.921
  936    HB3  ASN 133           HB3      ASN 133 -10.992  -6.875  -4.804
  937   HD21  ASN 133          HD21      ASN 133 -14.037  -7.503  -3.010
  938   HD22  ASN 133          HD22      ASN 133 -13.427  -8.956  -2.211
  939    H    MET 134           H        MET 134 -12.018  -3.992  -1.347
  940    HA   MET 134           HA       MET 134 -14.627  -4.783  -0.479
  941    HB2  MET 134           HB2      MET 134 -12.932  -2.417   0.431
  942    HB3  MET 134           HB3      MET 134 -14.331  -3.083   1.260
  943    HG2  MET 134           HG2      MET 134 -12.470  -3.920   2.416
  944    HG3  MET 134           HG3      MET 134 -13.131  -5.263   1.508
  945    HE1  MET 134           HE1      MET 134 -10.277  -2.622   1.822
  946    HE2  MET 134           HE2      MET 134  -9.113  -3.131   0.578
  947    HE3  MET 134           HE3      MET 134 -10.645  -2.372   0.098
  948    H    SER 135           H        SER 135 -16.598  -3.742  -0.445
  949    HA   SER 135           HA       SER 135 -17.064  -1.537  -2.329
  950    HB2  SER 135           HB2      SER 135 -19.484  -2.050  -1.672
  951    HB3  SER 135           HB3      SER 135 -18.594  -3.328  -2.510
  952    HG   SER 135           HG       SER 135 -19.483  -4.391  -0.859
  953    H    ASP 136           H        ASP 136 -18.663   0.184  -1.598
  954    HA   ASP 136           HA       ASP 136 -17.506   1.636   0.625
  955    HB2  ASP 136           HB2      ASP 136 -18.244   2.742  -1.460
  956    HB3  ASP 136           HB3      ASP 136 -19.914   2.266  -1.123
  957    H    GLN 137           H        GLN 137 -18.501   2.281   2.520
  958    HA   GLN 137           HA       GLN 137 -20.708   0.613   3.580
  959    HB2  GLN 137           HB2      GLN 137 -17.844  -0.043   3.657
  960    HB3  GLN 137           HB3      GLN 137 -18.379   0.310   5.277
  961    HG2  GLN 137           HG2      GLN 137 -18.436  -2.076   4.751
  962    HG3  GLN 137           HG3      GLN 137 -20.005  -1.469   5.241
  963   HE21  GLN 137          HE21      GLN 137 -18.188  -1.906   2.059
  964   HE22  GLN 137          HE22      GLN 137 -19.566  -2.656   1.319
  965    HA   PRO 138           HA       PRO 138 -20.980   4.139   6.387
  966    HB2  PRO 138           HB2      PRO 138 -22.077   3.055   8.658
  967    HB3  PRO 138           HB3      PRO 138 -22.980   3.261   7.127
  968    HG2  PRO 138           HG2      PRO 138 -21.535   0.773   8.107
  969    HG3  PRO 138           HG3      PRO 138 -23.231   0.905   7.539
  970    HD2  PRO 138           HD2      PRO 138 -21.287   0.104   5.865
  971    HD3  PRO 138           HD3      PRO 138 -22.543   1.232   5.286
  972    H    LYS 139           H        LYS 139 -18.675   1.754   6.782
  973    HA   LYS 139           HA       LYS 139 -17.215   3.552   8.626
  974    HB2  LYS 139           HB2      LYS 139 -16.850   0.547   8.321
  975    HB3  LYS 139           HB3      LYS 139 -15.726   1.583   9.187
  976    HG2  LYS 139           HG2      LYS 139 -18.654   1.438  10.024
  977    HG3  LYS 139           HG3      LYS 139 -17.514   0.183  10.466
  978    HD2  LYS 139           HD2      LYS 139 -17.718   1.669  12.290
  979    HD3  LYS 139           HD3      LYS 139 -16.087   1.809  11.641
  980    HE2  LYS 139           HE2      LYS 139 -16.615   3.958  10.615
  981    HE3  LYS 139           HE3      LYS 139 -18.340   3.767  10.995
  982    HZ1  LYS 139           HZ1      LYS 139 -16.211   3.928  13.059
  983    HZ2  LYS 139           HZ2      LYS 139 -17.114   5.208  12.611
  984    HZ3  LYS 139           HZ3      LYS 139 -17.837   3.899  13.308
  985    HA   PRO 140           HA       PRO 140 -15.217   4.223   4.754
  986    HB2  PRO 140           HB2      PRO 140 -12.993   5.661   5.476
  987    HB3  PRO 140           HB3      PRO 140 -14.660   6.306   5.568
  988    HG2  PRO 140           HG2      PRO 140 -13.034   5.038   7.799
  989    HG3  PRO 140           HG3      PRO 140 -13.920   6.598   7.827
  990    HD2  PRO 140           HD2      PRO 140 -15.027   4.332   8.823
  991    HD3  PRO 140           HD3      PRO 140 -16.021   5.507   7.906
  992    H    LEU 141           H        LEU 141 -13.244   3.860   3.553
  993    HA   LEU 141           HA       LEU 141 -11.542   2.650   2.707
  994    HB2  LEU 141           HB2      LEU 141 -10.739   1.779   5.494
  995    HB3  LEU 141           HB3      LEU 141  -9.737   1.957   4.066
  996    HG   LEU 141           HG       LEU 141 -10.916   4.163   5.792
  997   HD11  LEU 141          HD11      LEU 141  -8.048   3.413   5.083
  998   HD12  LEU 141          HD12      LEU 141  -8.557   4.726   6.164
  999   HD13  LEU 141          HD13      LEU 141  -8.876   3.042   6.614
 1000   HD21  LEU 141          HD21      LEU 141 -11.099   4.979   3.481
 1001   HD22  LEU 141          HD22      LEU 141  -9.773   5.784   4.315
 1002   HD23  LEU 141          HD23      LEU 141  -9.428   4.487   3.151
 1003    H    GLY 142           H        GLY 142 -14.157   1.191   3.898
 1004    HA2  GLY 142           HA2      GLY 142 -15.100  -0.895   3.482
 1005    HA3  GLY 142           HA3      GLY 142 -13.598  -1.380   2.657
 1006    H    GLY 143           H        GLY 143 -13.147  -0.162   5.847
 1007    HA2  GLY 143           HA2      GLY 143 -12.712  -1.140   7.900
 1008    HA3  GLY 143           HA3      GLY 143 -13.409  -2.665   7.307
 1009    H    GLY 144           H        GLY 144 -11.855  -3.447   5.299
 1010    HA2  GLY 144           HA2      GLY 144  -9.390  -4.307   6.636
 1011    HA3  GLY 144           HA3      GLY 144 -10.039  -4.882   5.080
 1012    H    GLY 145           H        GLY 145 -10.040  -1.739   4.448
 1013    HA2  GLY 145           HA2      GLY 145  -7.573  -1.786   2.935
 1014    HA3  GLY 145           HA3      GLY 145  -8.767  -0.465   3.016
 1015    H    THR 146           H        THR 146  -6.839  -1.972   5.582
 1016    HA   THR 146           HA       THR 146  -5.493   0.604   6.276
 1017    HB   THR 146           HB       THR 146  -5.579  -0.244   8.640
 1018    HG1  THR 146           HG1      THR 146  -7.337  -1.964   8.769
 1019   HG21  THR 146          HG21      THR 146  -8.359  -0.110   7.376
 1020   HG22  THR 146          HG22      THR 146  -7.930   0.215   9.067
 1021   HG23  THR 146          HG23      THR 146  -7.364   1.303   7.787
 1022    H    ARG 147           H        ARG 147  -3.423   0.203   7.509
 1023    HA   ARG 147           HA       ARG 147  -1.856  -1.496   5.773
 1024    HB2  ARG 147           HB2      ARG 147  -0.026  -0.171   6.240
 1025    HB3  ARG 147           HB3      ARG 147  -1.382   0.937   6.236
 1026    HG2  ARG 147           HG2      ARG 147   0.127  -0.138   8.660
 1027    HG3  ARG 147           HG3      ARG 147   0.185   1.496   8.002
 1028    HD2  ARG 147           HD2      ARG 147  -2.082   1.954   8.673
 1029    HD3  ARG 147           HD3      ARG 147  -2.351   0.282   9.164
 1030    HE   ARG 147           HE       ARG 147  -0.790   2.320  10.616
 1031   HH11  ARG 147          HH11      ARG 147  -1.493  -1.185  10.544
 1032   HH12  ARG 147          HH12      ARG 147  -1.586  -1.250  12.291
 1033   HH21  ARG 147          HH21      ARG 147  -1.125   2.069  12.901
 1034   HH22  ARG 147          HH22      ARG 147  -1.367   0.445  13.527
 1035    H    TYR 148           H        TYR 148  -0.528  -3.140   6.133
 1036    HA   TYR 148           HA       TYR 148   0.209  -3.920   8.941
 1037    HB2  TYR 148           HB2      TYR 148  -0.753  -5.739   7.364
 1038    HB3  TYR 148           HB3      TYR 148   0.770  -5.698   6.479
 1039    HD1  TYR 148           HD1      TYR 148  -0.727  -6.325   9.840
 1040    HD2  TYR 148           HD2      TYR 148   2.740  -6.743   7.304
 1041    HE1  TYR 148           HE1      TYR 148   0.298  -7.873  11.494
 1042    HE2  TYR 148           HE2      TYR 148   3.757  -8.299   8.953
 1043    HH   TYR 148           HH       TYR 148   2.183  -9.105  12.051
 1044    H    ALA 149           H        ALA 149   1.392  -2.434   5.972
 1045    HA   ALA 149           HA       ALA 149   3.755  -1.644   7.453
 1046    HB1  ALA 149           HB1      ALA 149   4.178  -3.164   4.842
 1047    HB2  ALA 149           HB2      ALA 149   5.422  -2.474   5.883
 1048    HB3  ALA 149           HB3      ALA 149   4.471  -3.850   6.458
 1049    H    CYS 150           H        CYS 150   4.926   0.112   6.527
 1050    HA   CYS 150           HA       CYS 150   3.445   1.810   4.632
 1051    HB2  CYS 150           HB2      CYS 150   4.918   3.531   5.354
 1052    HB3  CYS 150           HB3      CYS 150   4.342   2.702   6.780
 1053    H    GLY 151           H        GLY 151   6.060   3.062   3.838
 1054    HA2  GLY 151           HA2      GLY 151   7.898   1.618   2.489
 1055    HA3  GLY 151           HA3      GLY 151   6.526   1.424   1.409
 1056    H    VAL 152           H        VAL 152   8.584   3.841   2.973
 1057    HA   VAL 152           HA       VAL 152   7.905   6.076   1.367
 1058    HB   VAL 152           HB       VAL 152  10.719   5.651   2.448
 1059   HG11  VAL 152          HG11      VAL 152   8.952   8.124   2.137
 1060   HG12  VAL 152          HG12      VAL 152  10.609   8.099   2.777
 1061   HG13  VAL 152          HG13      VAL 152  10.317   7.683   1.089
 1062   HG21  VAL 152          HG21      VAL 152   9.429   5.031   4.324
 1063   HG22  VAL 152          HG22      VAL 152   9.833   6.729   4.584
 1064   HG23  VAL 152          HG23      VAL 152   8.209   6.279   4.015
 1065    H    ILE 153           H        ILE 153   8.189   6.456  -0.786
 1066    HA   ILE 153           HA       ILE 153  10.109   4.869  -2.369
 1067    HB   ILE 153           HB       ILE 153   8.226   7.096  -3.229
 1068   HG12  ILE 153          HG12      ILE 153   7.924   4.061  -3.514
 1069   HG13  ILE 153          HG13      ILE 153   7.076   5.021  -2.308
 1070   HG21  ILE 153          HG21      ILE 153   9.847   5.091  -4.871
 1071   HG22  ILE 153          HG22      ILE 153   8.659   6.231  -5.530
 1072   HG23  ILE 153          HG23      ILE 153  10.117   6.849  -4.786
 1073   HD11  ILE 153          HD11      ILE 153   6.703   5.177  -5.307
 1074   HD12  ILE 153          HD12      ILE 153   5.551   4.610  -4.094
 1075   HD13  ILE 153          HD13      ILE 153   5.987   6.318  -4.136
 1076    H    LYS 154           H        LYS 154  12.039   5.662  -3.275
 1077    HA   LYS 154           HA       LYS 154  13.376   7.676  -1.706
 1078    HB2  LYS 154           HB2      LYS 154  14.076   6.087  -4.199
 1079    HB3  LYS 154           HB3      LYS 154  15.122   7.372  -3.635
 1080    HG2  LYS 154           HG2      LYS 154  15.937   5.244  -2.921
 1081    HG3  LYS 154           HG3      LYS 154  15.591   6.281  -1.558
 1082    HD2  LYS 154           HD2      LYS 154  13.637   4.125  -2.462
 1083    HD3  LYS 154           HD3      LYS 154  15.029   3.723  -1.481
 1084    HE2  LYS 154           HE2      LYS 154  12.833   5.670  -0.652
 1085    HE3  LYS 154           HE3      LYS 154  12.979   4.000  -0.119
 1086    HZ1  LYS 154           HZ1      LYS 154  14.928   6.166   0.413
 1087    HZ2  LYS 154           HZ2      LYS 154  13.891   5.584   1.492
 1088    HZ3  LYS 154           HZ3      LYS 154  15.117   4.616   0.957
  Start of MODEL   23
    1    H1   ALA   1           H1       ALA   1  12.712  -1.010 -15.333
    2    H2   ALA   1           H2       ALA   1  13.621  -0.518 -16.614
    3    H3   ALA   1           H3       ALA   1  12.332   0.395 -16.128
    4    HA   ALA   1           HA       ALA   1  14.908  -0.012 -14.811
    5    HB1  ALA   1           HB1      ALA   1  13.416   2.577 -15.391
    6    HB2  ALA   1           HB2      ALA   1  15.060   2.405 -14.754
    7    HB3  ALA   1           HB3      ALA   1  14.703   1.894 -16.414
    8    H    SER   2           H        SER   2  15.108   0.982 -12.564
    9    HA   SER   2           HA       SER   2  12.744  -0.245 -11.183
   10    HB2  SER   2           HB2      SER   2  15.562  -1.155 -10.688
   11    HB3  SER   2           HB3      SER   2  14.041  -2.008 -10.403
   12    HG   SER   2           HG       SER   2  13.860  -2.124 -12.793
   13    H    GLU   3           H        GLU   3  12.700  -0.288  -8.925
   14    HA   GLU   3           HA       GLU   3  14.399   1.508  -7.340
   15    HB2  GLU   3           HB2      GLU   3  12.828   3.033  -8.525
   16    HB3  GLU   3           HB3      GLU   3  11.469   2.048  -7.938
   17    HG2  GLU   3           HG2      GLU   3  11.441   3.852  -6.545
   18    HG3  GLU   3           HG3      GLU   3  12.292   2.640  -5.576
   19    H    LYS   4           H        LYS   4  14.657   0.382  -5.493
   20    HA   LYS   4           HA       LYS   4  12.679  -1.716  -4.805
   21    HB2  LYS   4           HB2      LYS   4  14.433  -2.826  -3.735
   22    HB3  LYS   4           HB3      LYS   4  15.298  -2.008  -5.014
   23    HG2  LYS   4           HG2      LYS   4  15.837  -0.137  -3.373
   24    HG3  LYS   4           HG3      LYS   4  15.081  -1.117  -2.103
   25    HD2  LYS   4           HD2      LYS   4  16.768  -2.945  -2.657
   26    HD3  LYS   4           HD3      LYS   4  17.593  -1.743  -3.680
   27    HE2  LYS   4           HE2      LYS   4  17.636  -0.193  -1.648
   28    HE3  LYS   4           HE3      LYS   4  16.981  -1.538  -0.691
   29    HZ1  LYS   4           HZ1      LYS   4  19.621  -1.379  -2.004
   30    HZ2  LYS   4           HZ2      LYS   4  19.310  -1.669  -0.411
   31    HZ3  LYS   4           HZ3      LYS   4  18.995  -2.811  -1.525
   32    H    VAL   5           H        VAL   5  11.460  -1.746  -2.834
   33    HA   VAL   5           HA       VAL   5  12.001   0.485  -0.968
   34    HB   VAL   5           HB       VAL   5   9.241  -0.167  -2.078
   35   HG11  VAL   5          HG11      VAL   5  10.138   1.792   0.085
   36   HG12  VAL   5          HG12      VAL   5   8.532   1.817  -0.679
   37   HG13  VAL   5          HG13      VAL   5   9.028   0.418   0.268
   38   HG21  VAL   5          HG21      VAL   5  10.475   1.175  -3.692
   39   HG22  VAL   5          HG22      VAL   5   9.350   2.241  -2.872
   40   HG23  VAL   5          HG23      VAL   5  11.050   2.275  -2.411
   41    H    GLY   6           H        GLY   6  13.115  -1.350   0.075
   42    HA2  GLY   6           HA2      GLY   6  12.321  -2.749   2.138
   43    HA3  GLY   6           HA3      GLY   6  13.214  -1.251   2.393
   44    H    MET   7           H        MET   7  10.541  -2.982   3.053
   45    HA   MET   7           HA       MET   7   9.039  -0.666   4.177
   46    HB2  MET   7           HB2      MET   7   8.140  -3.561   3.966
   47    HB3  MET   7           HB3      MET   7   7.193  -2.170   4.551
   48    HG2  MET   7           HG2      MET   7   7.514  -1.070   2.349
   49    HG3  MET   7           HG3      MET   7   8.235  -2.557   1.728
   50    HE1  MET   7           HE1      MET   7   6.267  -1.862  -0.104
   51    HE2  MET   7           HE2      MET   7   4.536  -1.832   0.334
   52    HE3  MET   7           HE3      MET   7   5.661  -0.653   1.051
   53    H    ASN   8           H        ASN   8   8.429  -0.525   6.216
   54    HA   ASN   8           HA       ASN   8   9.636  -2.355   8.259
   55    HB2  ASN   8           HB2      ASN   8   9.348   0.649   8.249
   56    HB3  ASN   8           HB3      ASN   8   9.216  -0.247   9.775
   57   HD21  ASN   8          HD21      ASN   8  11.100   0.065  10.840
   58   HD22  ASN   8          HD22      ASN   8  12.677  -0.339  10.152
   59    H    LEU   9           H        LEU   9   8.379  -2.985   9.941
   60    HA   LEU   9           HA       LEU   9   5.496  -3.119   9.679
   61    HB2  LEU   9           HB2      LEU   9   7.335  -3.480  12.086
   62    HB3  LEU   9           HB3      LEU   9   5.647  -3.974  12.016
   63    HG   LEU   9           HG       LEU   9   7.825  -5.117  10.211
   64   HD11  LEU   9          HD11      LEU   9   6.696  -6.186  12.819
   65   HD12  LEU   9          HD12      LEU   9   7.765  -7.082  11.717
   66   HD13  LEU   9          HD13      LEU   9   8.354  -5.614  12.502
   67   HD21  LEU   9          HD21      LEU   9   5.581  -5.380   9.249
   68   HD22  LEU   9          HD22      LEU   9   6.191  -6.937   9.821
   69   HD23  LEU   9          HD23      LEU   9   4.983  -6.057  10.781
   70    H    VAL  10           H        VAL  10   3.984  -1.732  10.494
   71    HA   VAL  10           HA       VAL  10   4.837   0.484  12.278
   72    HB   VAL  10           HB       VAL  10   3.290   2.052  11.254
   73   HG11  VAL  10          HG11      VAL  10   5.274   0.981   9.204
   74   HG12  VAL  10          HG12      VAL  10   4.565   2.613   9.237
   75   HG13  VAL  10          HG13      VAL  10   5.630   2.088  10.541
   76   HG21  VAL  10          HG21      VAL  10   1.622   0.613  10.212
   77   HG22  VAL  10          HG22      VAL  10   2.310   1.700   9.012
   78   HG23  VAL  10          HG23      VAL  10   2.825  -0.002   9.049
   79    H    THR  11           H        THR  11   3.320   1.017  13.919
   80    HA   THR  11           HA       THR  11   0.680  -0.117  14.044
   81    HB   THR  11           HB       THR  11   1.636  -2.274  14.162
   82    HG1  THR  11           HG1      THR  11   0.982  -2.754  16.381
   83   HG21  THR  11          HG21      THR  11   3.293  -1.461  16.594
   84   HG22  THR  11          HG22      THR  11   3.204  -3.044  15.809
   85   HG23  THR  11          HG23      THR  11   3.961  -1.688  14.964
   86    H    ALA  12           H        ALA  12   0.096   1.805  14.677
   87    HA   ALA  12           HA       ALA  12  -0.407   3.582  16.014
   88    HB1  ALA  12           HB1      ALA  12   1.021   2.026  18.226
   89    HB2  ALA  12           HB2      ALA  12  -0.184   3.291  18.440
   90    HB3  ALA  12           HB3      ALA  12  -0.669   1.735  17.737
   91    H    GLN  13           H        GLN  13   2.790   2.594  17.100
   92    HA   GLN  13           HA       GLN  13   3.614   5.364  17.454
   93    HB2  GLN  13           HB2      GLN  13   5.612   4.407  18.483
   94    HB3  GLN  13           HB3      GLN  13   4.032   3.983  19.177
   95    HG2  GLN  13           HG2      GLN  13   5.667   2.172  19.200
   96    HG3  GLN  13           HG3      GLN  13   4.110   1.754  18.465
   97   HE21  GLN  13          HE21      GLN  13   4.046   1.167  16.333
   98   HE22  GLN  13          HE22      GLN  13   5.130   1.977  15.215
   99    H    GLY  14           H        GLY  14   3.283   4.134  14.636
  100    HA2  GLY  14           HA2      GLY  14   4.168   4.782  12.582
  101    HA3  GLY  14           HA3      GLY  14   5.463   5.657  13.454
  102    H    VAL  15           H        VAL  15   6.932   4.944  11.978
  103    HA   VAL  15           HA       VAL  15   7.622   2.378  11.144
  104    HB   VAL  15           HB       VAL  15   9.498   4.710  11.697
  105   HG11  VAL  15          HG11      VAL  15   9.844   2.249   9.922
  106   HG12  VAL  15          HG12      VAL  15  10.949   3.640   9.968
  107   HG13  VAL  15          HG13      VAL  15  10.782   2.602  11.387
  108   HG21  VAL  15          HG21      VAL  15   7.696   5.338  10.149
  109   HG22  VAL  15          HG22      VAL  15   9.222   5.180   9.278
  110   HG23  VAL  15          HG23      VAL  15   8.003   3.890   9.167
  111    H    GLY  16           H        GLY  16   7.809   0.658  12.366
  112    HA2  GLY  16           HA2      GLY  16   9.020   0.698  15.048
  113    HA3  GLY  16           HA3      GLY  16   8.174  -0.639  14.210
  114    H    GLN  17           H        GLN  17   9.304  -1.719  12.437
  115    HA   GLN  17           HA       GLN  17  12.189  -1.738  12.386
  116    HB2  GLN  17           HB2      GLN  17  12.636  -3.860  13.422
  117    HB3  GLN  17           HB3      GLN  17  11.897  -2.774  14.571
  118    HG2  GLN  17           HG2      GLN  17  10.559  -4.482  15.111
  119    HG3  GLN  17           HG3      GLN  17   9.663  -4.125  13.621
  120   HE21  GLN  17          HE21      GLN  17  10.740  -5.309  11.555
  121   HE22  GLN  17          HE22      GLN  17  11.353  -6.929  11.894
  122    H    SER  18           H        SER  18  13.061  -3.319  10.934
  123    HA   SER  18           HA       SER  18  11.365  -3.393   8.532
  124    HB2  SER  18           HB2      SER  18  13.436  -2.211   8.477
  125    HB3  SER  18           HB3      SER  18  14.332  -3.605   9.068
  126    HG   SER  18           HG       SER  18  13.807  -2.935   6.569
  127    H    ILE  19           H        ILE  19  10.970  -5.133   7.164
  128    HA   ILE  19           HA       ILE  19  11.960  -7.839   7.955
  129    HB   ILE  19           HB       ILE  19   9.828  -8.815   7.809
  130   HG12  ILE  19          HG12      ILE  19   8.553  -7.641   6.224
  131   HG13  ILE  19          HG13      ILE  19   7.698  -7.531   7.768
  132   HG21  ILE  19          HG21      ILE  19   9.644  -6.493   9.738
  133   HG22  ILE  19          HG22      ILE  19   8.782  -8.040   9.831
  134   HG23  ILE  19          HG23      ILE  19  10.542  -8.006   9.988
  135   HD11  ILE  19          HD11      ILE  19   9.191  -5.326   6.332
  136   HD12  ILE  19          HD12      ILE  19   7.467  -5.440   6.683
  137   HD13  ILE  19          HD13      ILE  19   8.610  -5.171   8.010
  138    H    GLY  20           H        GLY  20  11.996  -5.802   5.438
  139    HA2  GLY  20           HA2      GLY  20  13.013  -7.305   3.507
  140    HA3  GLY  20           HA3      GLY  20  11.335  -7.791   3.322
  141    H    THR  21           H        THR  21  12.329  -6.825   1.162
  142    HA   THR  21           HA       THR  21  11.213  -4.070   0.881
  143    HB   THR  21           HB       THR  21  13.498  -5.384  -0.566
  144    HG1  THR  21           HG1      THR  21  14.751  -4.173   0.406
  145   HG21  THR  21          HG21      THR  21  11.948  -3.185  -1.543
  146   HG22  THR  21          HG22      THR  21  13.718  -3.112  -1.674
  147   HG23  THR  21          HG23      THR  21  12.809  -4.467  -2.390
  148    H    VAL  22           H        VAL  22   9.978  -3.723  -0.954
  149    HA   VAL  22           HA       VAL  22   9.364  -6.086  -2.688
  150    HB   VAL  22           HB       VAL  22   7.690  -3.537  -2.691
  151   HG11  VAL  22          HG11      VAL  22   7.461  -6.306  -3.944
  152   HG12  VAL  22          HG12      VAL  22   6.159  -5.170  -3.969
  153   HG13  VAL  22          HG13      VAL  22   7.663  -4.770  -4.809
  154   HG21  VAL  22          HG21      VAL  22   7.230  -4.635  -0.549
  155   HG22  VAL  22          HG22      VAL  22   5.869  -4.839  -1.648
  156   HG23  VAL  22          HG23      VAL  22   6.982  -6.197  -1.397
  157    H    VAL  23           H        VAL  23  10.151  -5.912  -4.754
  158    HA   VAL  23           HA       VAL  23  11.578  -3.378  -5.402
  159    HB   VAL  23           HB       VAL  23  12.759  -5.472  -5.539
  160   HG11  VAL  23          HG11      VAL  23  11.095  -6.270  -7.865
  161   HG12  VAL  23          HG12      VAL  23  12.702  -6.922  -7.489
  162   HG13  VAL  23          HG13      VAL  23  11.429  -7.125  -6.310
  163   HG21  VAL  23          HG21      VAL  23  13.463  -3.408  -6.768
  164   HG22  VAL  23          HG22      VAL  23  13.990  -4.882  -7.594
  165   HG23  VAL  23          HG23      VAL  23  12.581  -3.988  -8.199
  166    H    ILE  24           H        ILE  24  10.876  -1.920  -6.855
  167    HA   ILE  24           HA       ILE  24   8.548  -2.651  -8.583
  168    HB   ILE  24           HB       ILE  24   9.568   0.126  -7.849
  169   HG12  ILE  24          HG12      ILE  24   7.735  -1.665  -6.375
  170   HG13  ILE  24          HG13      ILE  24   8.476  -0.259  -5.796
  171   HG21  ILE  24          HG21      ILE  24   7.119  -0.849  -9.393
  172   HG22  ILE  24          HG22      ILE  24   7.505   0.853  -9.023
  173   HG23  ILE  24          HG23      ILE  24   8.546  -0.055 -10.089
  174   HD11  ILE  24          HD11      ILE  24   5.929  -0.181  -7.363
  175   HD12  ILE  24          HD12      ILE  24   6.221   0.165  -5.652
  176   HD13  ILE  24          HD13      ILE  24   6.899   1.243  -6.858
  177    H    ASP  25           H        ASP  25   8.950  -2.955 -10.682
  178    HA   ASP  25           HA       ASP  25  11.139  -1.408 -11.962
  179    HB2  ASP  25           HB2      ASP  25  11.979  -3.657 -11.631
  180    HB3  ASP  25           HB3      ASP  25  10.544  -4.356 -12.422
  181    H    GLU  26           H        GLU  26  10.384  -0.239 -13.593
  182    HA   GLU  26           HA       GLU  26   7.534  -0.527 -14.293
  183    HB2  GLU  26           HB2      GLU  26   7.699   1.568 -15.484
  184    HB3  GLU  26           HB3      GLU  26   8.259   1.670 -13.811
  185    HG2  GLU  26           HG2      GLU  26   9.652   3.075 -15.081
  186    HG3  GLU  26           HG3      GLU  26  10.589   1.722 -14.552
  187    H    THR  27           H        THR  27   6.658  -0.591 -16.432
  188    HA   THR  27           HA       THR  27   8.423  -0.952 -18.667
  189    HB   THR  27           HB       THR  27   8.585  -3.216 -17.948
  190    HG1  THR  27           HG1      THR  27   7.810  -4.236 -19.776
  191   HG21  THR  27          HG21      THR  27   5.555  -3.292 -17.787
  192   HG22  THR  27          HG22      THR  27   6.586  -4.742 -17.832
  193   HG23  THR  27          HG23      THR  27   6.735  -3.610 -16.496
  194    H    GLU  28           H        GLU  28   6.950  -1.605 -20.580
  195    HA   GLU  28           HA       GLU  28   5.093   0.525 -21.087
  196    HB2  GLU  28           HB2      GLU  28   6.696  -0.693 -22.622
  197    HB3  GLU  28           HB3      GLU  28   5.575  -2.074 -22.610
  198    HG2  GLU  28           HG2      GLU  28   3.872  -0.744 -23.704
  199    HG3  GLU  28           HG3      GLU  28   4.804   0.740 -23.455
  200    H    GLY  29           H        GLY  29   4.720  -2.517 -19.596
  201    HA2  GLY  29           HA2      GLY  29   1.744  -2.333 -19.656
  202    HA3  GLY  29           HA3      GLY  29   2.651  -3.811 -19.197
  203    H    GLY  30           H        GLY  30   3.968  -1.035 -18.018
  204    HA2  GLY  30           HA2      GLY  30   3.855   0.360 -16.268
  205    HA3  GLY  30           HA3      GLY  30   2.416  -0.404 -15.637
  206    H    LEU  31           H        LEU  31   3.266   0.002 -13.589
  207    HA   LEU  31           HA       LEU  31   5.880  -0.799 -12.727
  208    HB2  LEU  31           HB2      LEU  31   3.376  -0.266 -11.076
  209    HB3  LEU  31           HB3      LEU  31   5.020  -0.391 -10.429
  210    HG   LEU  31           HG       LEU  31   3.928   1.783 -12.261
  211   HD11  LEU  31          HD11      LEU  31   4.915   1.850  -9.372
  212   HD12  LEU  31          HD12      LEU  31   4.290   3.228 -10.300
  213   HD13  LEU  31          HD13      LEU  31   3.213   1.880  -9.878
  214   HD21  LEU  31          HD21      LEU  31   6.243   1.431 -12.864
  215   HD22  LEU  31          HD22      LEU  31   6.126   2.909 -11.896
  216   HD23  LEU  31          HD23      LEU  31   6.731   1.414 -11.152
  217    H    LYS  32           H        LYS  32   6.572  -2.848 -12.789
  218    HA   LYS  32           HA       LYS  32   4.876  -5.061 -11.866
  219    HB2  LYS  32           HB2      LYS  32   6.692  -4.966 -13.842
  220    HB3  LYS  32           HB3      LYS  32   7.794  -5.378 -12.536
  221    HG2  LYS  32           HG2      LYS  32   5.884  -7.222 -12.010
  222    HG3  LYS  32           HG3      LYS  32   5.436  -6.886 -13.687
  223    HD2  LYS  32           HD2      LYS  32   6.853  -8.803 -13.699
  224    HD3  LYS  32           HD3      LYS  32   7.821  -7.465 -14.355
  225    HE2  LYS  32           HE2      LYS  32   8.909  -7.141 -12.181
  226    HE3  LYS  32           HE3      LYS  32   7.831  -8.344 -11.426
  227    HZ1  LYS  32           HZ1      LYS  32  10.017  -8.865 -13.352
  228    HZ2  LYS  32           HZ2      LYS  32   9.897  -9.379 -11.840
  229    HZ3  LYS  32           HZ3      LYS  32   8.898 -10.017 -12.972
  230    H    PHE  33           H        PHE  33   4.625  -5.301  -9.781
  231    HA   PHE  33           HA       PHE  33   6.572  -4.426  -7.741
  232    HB2  PHE  33           HB2      PHE  33   3.980  -3.948  -7.984
  233    HB3  PHE  33           HB3      PHE  33   3.784  -5.576  -7.324
  234    HD1  PHE  33           HD1      PHE  33   5.906  -2.590  -6.670
  235    HD2  PHE  33           HD2      PHE  33   3.095  -5.386  -5.056
  236    HE1  PHE  33           HE1      PHE  33   6.202  -1.560  -4.383
  237    HE2  PHE  33           HE2      PHE  33   3.262  -4.248  -2.840
  238    HZ   PHE  33           HZ       PHE  33   4.865  -2.410  -2.486
  239    H    THR  34           H        THR  34   8.144  -6.066  -7.098
  240    HA   THR  34           HA       THR  34   7.160  -8.908  -7.138
  241    HB   THR  34           HB       THR  34  10.027  -8.105  -7.525
  242    HG1  THR  34           HG1      THR  34   8.927  -7.252  -9.213
  243   HG21  THR  34          HG21      THR  34   8.479 -10.643  -8.170
  244   HG22  THR  34          HG22      THR  34  10.202 -10.349  -8.477
  245   HG23  THR  34          HG23      THR  34   9.605 -10.428  -6.814
  246    HA   PRO  35           HA       PRO  35   8.149  -8.008  -2.818
  247    HB2  PRO  35           HB2      PRO  35   6.664  -9.938  -1.627
  248    HB3  PRO  35           HB3      PRO  35   5.915  -8.501  -2.420
  249    HG2  PRO  35           HG2      PRO  35   6.300 -11.306  -3.506
  250    HG3  PRO  35           HG3      PRO  35   4.822 -10.295  -3.564
  251    HD2  PRO  35           HD2      PRO  35   6.571 -10.516  -5.656
  252    HD3  PRO  35           HD3      PRO  35   5.679  -8.999  -5.309
  253    H    HIS  36           H        HIS  36   9.602  -8.713  -1.262
  254    HA   HIS  36           HA       HIS  36  10.158 -11.606  -1.086
  255    HB2  HIS  36           HB2      HIS  36  12.511 -11.406  -1.375
  256    HB3  HIS  36           HB3      HIS  36  11.705 -10.696  -2.767
  257    HD1  HIS  36           HD1      HIS  36  14.281  -9.950  -0.230
  258    HD2  HIS  36           HD2      HIS  36  11.761  -7.880  -2.867
  259    HE1  HIS  36           HE1      HIS  36  15.411  -7.667  -0.625
  260    H    LEU  37           H        LEU  37   8.599 -10.222   0.631
  261    HA   LEU  37           HA       LEU  37  10.174  -9.807   3.162
  262    HB2  LEU  37           HB2      LEU  37   7.251  -9.158   2.724
  263    HB3  LEU  37           HB3      LEU  37   8.332  -8.713   4.061
  264    HG   LEU  37           HG       LEU  37   9.661  -7.517   2.016
  265   HD11  LEU  37          HD11      LEU  37   6.719  -7.408   1.272
  266   HD12  LEU  37          HD12      LEU  37   8.002  -6.354   0.637
  267   HD13  LEU  37          HD13      LEU  37   8.029  -8.088   0.291
  268   HD21  LEU  37          HD21      LEU  37   9.034  -6.481   4.136
  269   HD22  LEU  37          HD22      LEU  37   8.578  -5.431   2.784
  270   HD23  LEU  37          HD23      LEU  37   7.333  -6.389   3.632
  271    H    LYS  38           H        LYS  38   9.505 -10.434   5.046
  272    HA   LYS  38           HA       LYS  38   7.904 -12.914   5.179
  273    HB2  LYS  38           HB2      LYS  38   9.582 -13.866   6.751
  274    HB3  LYS  38           HB3      LYS  38  10.157 -13.756   5.106
  275    HG2  LYS  38           HG2      LYS  38  10.872 -11.370   6.744
  276    HG3  LYS  38           HG3      LYS  38  11.478 -12.903   7.400
  277    HD2  LYS  38           HD2      LYS  38  13.140 -11.890   5.946
  278    HD3  LYS  38           HD3      LYS  38  12.594 -13.439   5.294
  279    HE2  LYS  38           HE2      LYS  38  11.068 -12.206   3.712
  280    HE3  LYS  38           HE3      LYS  38  11.630 -10.690   4.379
  281    HZ1  LYS  38           HZ1      LYS  38  13.278 -12.663   2.868
  282    HZ2  LYS  38           HZ2      LYS  38  12.914 -11.144   2.410
  283    HZ3  LYS  38           HZ3      LYS  38  13.956 -11.445   3.671
  284    H    ALA  39           H        ALA  39   7.389 -13.379   7.256
  285    HA   ALA  39           HA       ALA  39   6.691 -13.146   9.454
  286    HB1  ALA  39           HB1      ALA  39   7.829 -10.315   9.466
  287    HB2  ALA  39           HB2      ALA  39   7.467 -11.349  10.855
  288    HB3  ALA  39           HB3      ALA  39   8.804 -11.774   9.770
  289    H    LEU  40           H        LEU  40   5.094 -12.314   7.058
  290    HA   LEU  40           HA       LEU  40   3.136 -10.472   8.354
  291    HB2  LEU  40           HB2      LEU  40   2.183 -11.360   5.779
  292    HB3  LEU  40           HB3      LEU  40   2.397  -9.784   6.431
  293    HG   LEU  40           HG       LEU  40   4.450 -11.544   4.977
  294   HD11  LEU  40          HD11      LEU  40   3.384  -8.934   3.846
  295   HD12  LEU  40          HD12      LEU  40   4.279 -10.254   3.059
  296   HD13  LEU  40          HD13      LEU  40   2.560 -10.454   3.580
  297   HD21  LEU  40          HD21      LEU  40   5.680  -9.828   6.339
  298   HD22  LEU  40          HD22      LEU  40   5.851  -9.737   4.568
  299   HD23  LEU  40          HD23      LEU  40   4.798  -8.574   5.429
  300    HA   PRO  41           HA       PRO  41   0.495 -13.827   8.959
  301    HB2  PRO  41           HB2      PRO  41  -2.059 -12.883   8.233
  302    HB3  PRO  41           HB3      PRO  41  -1.275 -12.644   9.818
  303    HG2  PRO  41           HG2      PRO  41  -1.313 -10.808   7.458
  304    HG3  PRO  41           HG3      PRO  41  -1.574 -10.407   9.185
  305    HD2  PRO  41           HD2      PRO  41   0.850  -9.986   8.090
  306    HD3  PRO  41           HD3      PRO  41   0.654 -10.771   9.702
  307    HA   PRO  42           HA       PRO  42   1.098 -15.830   5.344
  308    HB2  PRO  42           HB2      PRO  42   0.216 -18.308   5.816
  309    HB3  PRO  42           HB3      PRO  42   1.191 -17.439   7.034
  310    HG2  PRO  42           HG2      PRO  42  -1.821 -17.558   6.812
  311    HG3  PRO  42           HG3      PRO  42  -0.847 -18.146   8.192
  312    HD2  PRO  42           HD2      PRO  42  -1.816 -15.607   8.218
  313    HD3  PRO  42           HD3      PRO  42  -0.147 -15.946   8.785
  314    H    GLY  43           H        GLY  43  -1.451 -14.316   5.025
  315    HA2  GLY  43           HA2      GLY  43  -2.842 -15.919   2.910
  316    HA3  GLY  43           HA3      GLY  43  -3.612 -14.700   3.942
  317    H    GLU  44           H        GLU  44  -4.443 -13.446   2.494
  318    HA   GLU  44           HA       GLU  44  -2.974 -12.250   0.213
  319    HB2  GLU  44           HB2      GLU  44  -5.896 -12.244   1.049
  320    HB3  GLU  44           HB3      GLU  44  -5.285 -11.470  -0.408
  321    HG2  GLU  44           HG2      GLU  44  -5.088 -13.429  -1.564
  322    HG3  GLU  44           HG3      GLU  44  -4.598 -14.378  -0.148
  323    H    HIS  45           H        HIS  45  -2.617 -10.020   0.058
  324    HA   HIS  45           HA       HIS  45  -3.335  -8.284   2.385
  325    HB2  HIS  45           HB2      HIS  45  -0.523  -8.639   1.151
  326    HB3  HIS  45           HB3      HIS  45  -0.995  -7.405   2.287
  327    HD1  HIS  45           HD1      HIS  45  -2.347  -8.932   4.573
  328    HD2  HIS  45           HD2      HIS  45   0.137 -10.914   1.835
  329    HE1  HIS  45           HE1      HIS  45  -1.953 -11.269   5.514
  330    HE2  HIS  45           HE2      HIS  45  -0.269 -12.425   3.943
  331    H    GLY  46           H        GLY  46  -3.971  -6.213   1.865
  332    HA2  GLY  46           HA2      GLY  46  -4.371  -5.553  -0.873
  333    HA3  GLY  46           HA3      GLY  46  -4.581  -4.436   0.496
  334    H    PHE  47           H        PHE  47  -3.438  -3.733  -2.121
  335    HA   PHE  47           HA       PHE  47  -0.844  -2.600  -1.159
  336    HB2  PHE  47           HB2      PHE  47  -0.345  -4.419  -2.649
  337    HB3  PHE  47           HB3      PHE  47  -1.575  -3.876  -3.791
  338    HD1  PHE  47           HD1      PHE  47   1.230  -1.769  -2.318
  339    HD2  PHE  47           HD2      PHE  47  -0.213  -4.034  -5.663
  340    HE1  PHE  47           HE1      PHE  47   3.013  -0.749  -3.823
  341    HE2  PHE  47           HE2      PHE  47   1.491  -2.960  -7.145
  342    HZ   PHE  47           HZ       PHE  47   3.020  -1.243  -6.232
  343    H    HIS  48           H        HIS  48  -1.432  -0.502  -0.719
  344    HA   HIS  48           HA       HIS  48  -2.688   0.947  -3.056
  345    HB2  HIS  48           HB2      HIS  48  -2.696   2.124  -0.295
  346    HB3  HIS  48           HB3      HIS  48  -3.626   2.607  -1.698
  347    HD2  HIS  48           HD2      HIS  48  -5.128  -0.195  -2.357
  348    HE1  HIS  48           HE1      HIS  48  -6.345  -0.184   1.711
  349    HE2  HIS  48           HE2      HIS  48  -6.815  -1.128  -0.585
  350    H    ILE  49           H        ILE  49  -2.035   3.137  -3.420
  351    HA   ILE  49           HA       ILE  49   0.634   3.997  -2.353
  352    HB   ILE  49           HB       ILE  49  -0.744   4.828  -4.935
  353   HG12  ILE  49          HG12      ILE  49   2.003   3.534  -4.681
  354   HG13  ILE  49          HG13      ILE  49   0.545   2.547  -4.886
  355   HG21  ILE  49          HG21      ILE  49   1.957   5.724  -3.793
  356   HG22  ILE  49          HG22      ILE  49   1.258   6.244  -5.332
  357   HG23  ILE  49          HG23      ILE  49   0.486   6.722  -3.829
  358   HD11  ILE  49          HD11      ILE  49   1.529   4.645  -6.871
  359   HD12  ILE  49          HD12      ILE  49   1.612   2.883  -7.035
  360   HD13  ILE  49          HD13      ILE  49   0.035   3.702  -7.010
  361    H    HIS  50           H        HIS  50   0.615   5.804  -1.188
  362    HA   HIS  50           HA       HIS  50  -1.910   7.403  -1.030
  363    HB2  HIS  50           HB2      HIS  50  -0.015   6.848   1.272
  364    HB3  HIS  50           HB3      HIS  50  -1.308   8.006   1.276
  365    HD1  HIS  50           HD1      HIS  50  -2.912   7.152   2.987
  366    HD2  HIS  50           HD2      HIS  50  -1.657   4.196   0.317
  367    HE1  HIS  50           HE1      HIS  50  -4.157   5.026   3.690
  368    H    ALA  51           H        ALA  51  -1.440   9.759  -0.447
  369    HA   ALA  51           HA       ALA  51   0.037  10.573  -2.696
  370    HB1  ALA  51           HB1      ALA  51  -1.001  12.334  -0.449
  371    HB2  ALA  51           HB2      ALA  51  -0.693  12.815  -2.122
  372    HB3  ALA  51           HB3      ALA  51  -2.012  11.681  -1.758
  373    H    ASN  52           H        ASN  52   1.092  10.701   0.670
  374    HA   ASN  52           HA       ASN  52   3.637  12.021  -0.221
  375    HB2  ASN  52           HB2      ASN  52   2.032  12.323   2.346
  376    HB3  ASN  52           HB3      ASN  52   3.665  12.960   2.126
  377   HD21  ASN  52          HD21      ASN  52   0.586  14.117   2.146
  378   HD22  ASN  52          HD22      ASN  52   0.706  15.257   0.819
  379    H    GLY  53           H        GLY  53   5.558  11.308   0.437
  380    HA2  GLY  53           HA2      GLY  53   5.886   8.569   1.167
  381    HA3  GLY  53           HA3      GLY  53   7.157   9.773   0.951
  382    H    SER  54           H        SER  54   4.576   9.091   3.431
  383    HA   SER  54           HA       SER  54   6.636   8.764   5.512
  384    HB2  SER  54           HB2      SER  54   6.478  11.255   5.144
  385    HB3  SER  54           HB3      SER  54   4.811  11.172   5.724
  386    HG   SER  54           HG       SER  54   6.106  11.627   7.457
  387    H    CYS  55           H        CYS  55   5.515   6.666   5.882
  388    HA   CYS  55           HA       CYS  55   2.926   6.754   7.192
  389    HB2  CYS  55           HB2      CYS  55   5.063   4.610   7.121
  390    HB3  CYS  55           HB3      CYS  55   3.512   4.454   7.907
  391    H    GLN  56           H        GLN  56   3.497   8.616   8.538
  392    HA   GLN  56           HA       GLN  56   4.587   7.688  11.167
  393    HB2  GLN  56           HB2      GLN  56   4.783  10.452   9.920
  394    HB3  GLN  56           HB3      GLN  56   5.188  10.100  11.597
  395    HG2  GLN  56           HG2      GLN  56   6.566   8.812   9.189
  396    HG3  GLN  56           HG3      GLN  56   7.163  10.214  10.058
  397   HE21  GLN  56          HE21      GLN  56   9.058   8.433  10.058
  398   HE22  GLN  56          HE22      GLN  56   9.074   7.495  11.545
  399    HA   PRO  57           HA       PRO  57   0.568   8.338  12.455
  400    HB2  PRO  57           HB2      PRO  57   0.693   7.961  15.155
  401    HB3  PRO  57           HB3      PRO  57   1.281   6.742  14.014
  402    HG2  PRO  57           HG2      PRO  57   2.977   8.886  15.336
  403    HG3  PRO  57           HG3      PRO  57   3.218   7.106  15.385
  404    HD2  PRO  57           HD2      PRO  57   4.486   8.598  13.519
  405    HD3  PRO  57           HD3      PRO  57   3.760   7.008  13.099
  406    H    ALA  58           H        ALA  58  -1.014   9.503  13.662
  407    HA   ALA  58           HA       ALA  58  -0.187  12.139  14.815
  408    HB1  ALA  58           HB1      ALA  58  -2.878  11.328  13.626
  409    HB2  ALA  58           HB2      ALA  58  -2.486  12.892  14.374
  410    HB3  ALA  58           HB3      ALA  58  -1.687  12.406  12.865
  411    H    ILE  59           H        ILE  59  -0.486  12.296  16.998
  412    HA   ILE  59           HA       ILE  59  -1.772   9.996  18.427
  413    HB   ILE  59           HB       ILE  59  -0.235  12.188  19.798
  414   HG12  ILE  59          HG12      ILE  59   1.365  11.498  18.136
  415   HG13  ILE  59          HG13      ILE  59   1.827  10.894  19.708
  416   HG21  ILE  59          HG21      ILE  59  -0.733   9.236  20.428
  417   HG22  ILE  59          HG22      ILE  59   0.246  10.341  21.417
  418   HG23  ILE  59          HG23      ILE  59  -1.484  10.619  21.232
  419   HD11  ILE  59          HD11      ILE  59   0.510   9.185  17.551
  420   HD12  ILE  59          HD12      ILE  59   2.243   9.257  17.910
  421   HD13  ILE  59          HD13      ILE  59   1.128   8.625  19.126
  422    H    LYS  60           H        LYS  60  -3.509  11.454  17.055
  423    HA   LYS  60           HA       LYS  60  -4.413  13.855  18.317
  424    HB2  LYS  60           HB2      LYS  60  -4.531  13.145  15.868
  425    HB3  LYS  60           HB3      LYS  60  -5.918  12.133  16.297
  426    HG2  LYS  60           HG2      LYS  60  -7.190  14.104  16.986
  427    HG3  LYS  60           HG3      LYS  60  -5.748  15.125  16.856
  428    HD2  LYS  60           HD2      LYS  60  -5.634  14.664  14.412
  429    HD3  LYS  60           HD3      LYS  60  -7.139  13.722  14.532
  430    HE2  LYS  60           HE2      LYS  60  -8.366  15.691  15.280
  431    HE3  LYS  60           HE3      LYS  60  -6.884  16.642  15.394
  432    HZ1  LYS  60           HZ1      LYS  60  -7.936  15.527  12.840
  433    HZ2  LYS  60           HZ2      LYS  60  -8.155  17.078  13.360
  434    HZ3  LYS  60           HZ3      LYS  60  -6.654  16.526  13.011
  435    H    ASP  61           H        ASP  61  -5.894  14.241  19.820
  436    HA   ASP  61           HA       ASP  61  -7.154  13.881  21.645
  437    HB2  ASP  61           HB2      ASP  61  -8.750  13.438  19.693
  438    HB3  ASP  61           HB3      ASP  61  -8.588  11.719  20.063
  439    H    GLY  62           H        GLY  62  -4.686  12.168  21.384
  440    HA2  GLY  62           HA2      GLY  62  -3.601  10.962  23.063
  441    HA3  GLY  62           HA3      GLY  62  -5.157  10.641  23.859
  442    H    GLN  63           H        GLN  63  -5.248   9.792  20.507
  443    HA   GLN  63           HA       GLN  63  -4.265   7.041  21.098
  444    HB2  GLN  63           HB2      GLN  63  -6.058   6.040  19.809
  445    HB3  GLN  63           HB3      GLN  63  -6.630   6.863  21.253
  446    HG2  GLN  63           HG2      GLN  63  -7.359   8.801  19.797
  447    HG3  GLN  63           HG3      GLN  63  -6.925   7.833  18.381
  448   HE21  GLN  63          HE21      GLN  63  -9.278   8.204  21.069
  449   HE22  GLN  63          HE22      GLN  63 -10.356   6.961  20.463
  450    H    ALA  64           H        ALA  64  -2.977   6.121  19.616
  451    HA   ALA  64           HA       ALA  64  -1.836   8.035  17.724
  452    HB1  ALA  64           HB1      ALA  64  -0.936   5.289  18.596
  453    HB2  ALA  64           HB2      ALA  64   0.023   6.477  17.682
  454    HB3  ALA  64           HB3      ALA  64  -0.467   6.818  19.353
  455    H    VAL  65           H        VAL  65  -3.119   8.252  16.021
  456    HA   VAL  65           HA       VAL  65  -4.136   6.090  14.355
  457    HB   VAL  65           HB       VAL  65  -3.706   9.027  13.642
  458   HG11  VAL  65          HG11      VAL  65  -5.450   6.879  12.345
  459   HG12  VAL  65          HG12      VAL  65  -5.416   8.597  11.894
  460   HG13  VAL  65          HG13      VAL  65  -3.987   7.592  11.637
  461   HG21  VAL  65          HG21      VAL  65  -5.219   8.859  15.566
  462   HG22  VAL  65          HG22      VAL  65  -6.133   9.281  14.116
  463   HG23  VAL  65          HG23      VAL  65  -6.180   7.615  14.734
  464    H    ALA  66           H        ALA  66  -2.574   4.769  13.852
  465    HA   ALA  66           HA       ALA  66  -0.021   4.871  13.927
  466    HB1  ALA  66           HB1      ALA  66  -1.482   3.188  11.857
  467    HB2  ALA  66           HB2      ALA  66   0.075   2.801  12.614
  468    HB3  ALA  66           HB3      ALA  66  -1.406   2.851  13.601
  469    H    ALA  67           H        ALA  67  -1.356   6.214  10.948
  470    HA   ALA  67           HA       ALA  67   1.298   6.926   9.963
  471    HB1  ALA  67           HB1      ALA  67  -0.223   4.663   8.629
  472    HB2  ALA  67           HB2      ALA  67   1.230   5.460   7.975
  473    HB3  ALA  67           HB3      ALA  67   1.339   4.539   9.467
  474    H    GLU  68           H        GLU  68  -0.943   8.538  10.484
  475    HA   GLU  68           HA       GLU  68  -2.618   9.089   8.238
  476    HB2  GLU  68           HB2      GLU  68  -3.097   9.786  10.557
  477    HB3  GLU  68           HB3      GLU  68  -1.711  10.869  10.532
  478    HG2  GLU  68           HG2      GLU  68  -3.730  12.152  10.253
  479    HG3  GLU  68           HG3      GLU  68  -2.801  12.248   8.766
  480    H    ALA  69           H        ALA  69   0.678  10.285   9.007
  481    HA   ALA  69           HA       ALA  69   0.630  12.535   7.260
  482    HB1  ALA  69           HB1      ALA  69   2.974  10.888   8.305
  483    HB2  ALA  69           HB2      ALA  69   3.067  12.536   7.656
  484    HB3  ALA  69           HB3      ALA  69   2.184  12.228   9.166
  485    H    ALA  70           H        ALA  70   0.325   9.459   6.219
  486    HA   ALA  70           HA       ALA  70   2.004   9.557   3.839
  487    HB1  ALA  70           HB1      ALA  70  -0.256   7.662   4.590
  488    HB2  ALA  70           HB2      ALA  70   0.988   7.407   3.341
  489    HB3  ALA  70           HB3      ALA  70   1.457   7.449   5.048
  490    H    GLY  71           H        GLY  71  -1.019  11.040   4.586
  491    HA2  GLY  71           HA2      GLY  71  -1.955  12.654   3.225
  492    HA3  GLY  71           HA3      GLY  71  -0.934  12.115   1.895
  493    H    GLY  72           H        GLY  72  -3.401  10.084   3.518
  494    HA2  GLY  72           HA2      GLY  72  -5.456   9.267   2.765
  495    HA3  GLY  72           HA3      GLY  72  -5.509  10.650   1.668
  496    H    HIS  73           H        HIS  73  -6.723   8.732   0.525
  497    HA   HIS  73           HA       HIS  73  -5.006   6.765  -0.805
  498    HB2  HIS  73           HB2      HIS  73  -7.936   7.212  -0.483
  499    HB3  HIS  73           HB3      HIS  73  -7.461   6.469  -1.990
  500    HD2  HIS  73           HD2      HIS  73  -5.627   5.743   1.302
  501    HE1  HIS  73           HE1      HIS  73  -7.319   2.059   0.061
  502    HE2  HIS  73           HE2      HIS  73  -5.719   3.192   1.696
  503    H    LEU  74           H        LEU  74  -4.564   9.655  -1.432
  504    HA   LEU  74           HA       LEU  74  -3.828  10.874  -3.203
  505    HB2  LEU  74           HB2      LEU  74  -2.379   8.997  -3.341
  506    HB3  LEU  74           HB3      LEU  74  -3.493   8.021  -4.247
  507    HG   LEU  74           HG       LEU  74  -3.160   9.400  -6.251
  508   HD11  LEU  74          HD11      LEU  74  -1.250  11.052  -4.528
  509   HD12  LEU  74          HD12      LEU  74  -1.430  11.180  -6.291
  510   HD13  LEU  74          HD13      LEU  74  -2.775  11.626  -5.237
  511   HD21  LEU  74          HD21      LEU  74  -1.670   7.504  -5.763
  512   HD22  LEU  74          HD22      LEU  74  -0.845   8.781  -6.669
  513   HD23  LEU  74          HD23      LEU  74  -0.552   8.599  -4.920
  514    H    ASP  75           H        ASP  75  -6.580  10.781  -2.880
  515    HA   ASP  75           HA       ASP  75  -7.770  10.715  -5.586
  516    HB2  ASP  75           HB2      ASP  75  -9.765   9.947  -4.365
  517    HB3  ASP  75           HB3      ASP  75  -8.359   8.931  -4.140
  518    HA   PRO  76           HA       PRO  76  -8.801  15.060  -3.907
  519    HB2  PRO  76           HB2      PRO  76  -7.534  16.655  -5.734
  520    HB3  PRO  76           HB3      PRO  76  -6.744  16.047  -4.252
  521    HG2  PRO  76           HG2      PRO  76  -6.581  14.886  -7.050
  522    HG3  PRO  76           HG3      PRO  76  -5.237  15.246  -5.918
  523    HD2  PRO  76           HD2      PRO  76  -6.287  12.743  -6.143
  524    HD3  PRO  76           HD3      PRO  76  -5.755  13.388  -4.560
  525    H    GLN  77           H        GLN  77  -8.711  13.578  -7.140
  526    HA   GLN  77           HA       GLN  77 -11.104  15.162  -8.000
  527    HB2  GLN  77           HB2      GLN  77  -8.569  14.384  -9.507
  528    HB3  GLN  77           HB3      GLN  77 -10.006  15.050 -10.292
  529    HG2  GLN  77           HG2      GLN  77  -9.820  17.144  -9.144
  530    HG3  GLN  77           HG3      GLN  77  -8.581  16.534  -8.049
  531   HE21  GLN  77          HE21      GLN  77  -9.021  16.898 -11.670
  532   HE22  GLN  77          HE22      GLN  77  -7.351  17.416 -11.870
  533    H    ASN  78           H        ASN  78 -11.305  12.587  -6.720
  534    HA   ASN  78           HA       ASN  78 -12.555  11.022  -8.957
  535    HB2  ASN  78           HB2      ASN  78 -11.111   9.918  -6.514
  536    HB3  ASN  78           HB3      ASN  78 -12.083   8.964  -7.640
  537   HD21  ASN  78          HD21      ASN  78 -10.598  11.063  -9.759
  538   HD22  ASN  78          HD22      ASN  78  -9.219  10.027 -10.100
  539    H    THR  79           H        THR  79 -13.863   9.169  -7.053
  540    HA   THR  79           HA       THR  79 -16.094  10.876  -6.094
  541    HB   THR  79           HB       THR  79 -17.139   8.649  -5.615
  542    HG1  THR  79           HG1      THR  79 -15.849   6.840  -6.444
  543   HG21  THR  79          HG21      THR  79 -15.994   8.797  -8.446
  544   HG22  THR  79          HG22      THR  79 -17.447   7.920  -7.918
  545   HG23  THR  79          HG23      THR  79 -17.422   9.691  -7.878
  546    H    GLY  80           H        GLY  80 -13.387   9.082  -4.731
  547    HA2  GLY  80           HA2      GLY  80 -12.483   9.367  -2.593
  548    HA3  GLY  80           HA3      GLY  80 -13.920  10.273  -2.097
  549    H    LYS  81           H        LYS  81 -15.138   7.499  -3.426
  550    HA   LYS  81           HA       LYS  81 -15.669   6.440  -0.727
  551    HB2  LYS  81           HB2      LYS  81 -17.680   5.580  -1.603
  552    HB3  LYS  81           HB3      LYS  81 -17.483   7.212  -2.232
  553    HG2  LYS  81           HG2      LYS  81 -16.682   6.248  -4.400
  554    HG3  LYS  81           HG3      LYS  81 -16.943   4.617  -3.754
  555    HD2  LYS  81           HD2      LYS  81 -19.355   5.291  -3.341
  556    HD3  LYS  81           HD3      LYS  81 -19.046   6.763  -4.271
  557    HE2  LYS  81           HE2      LYS  81 -18.455   5.404  -6.249
  558    HE3  LYS  81           HE3      LYS  81 -18.625   3.919  -5.297
  559    HZ1  LYS  81           HZ1      LYS  81 -20.809   5.809  -5.930
  560    HZ2  LYS  81           HZ2      LYS  81 -20.615   4.314  -6.580
  561    HZ3  LYS  81           HZ3      LYS  81 -20.977   4.476  -4.975
  562    H    HIS  82           H        HIS  82 -13.307   5.536  -2.693
  563    HA   HIS  82           HA       HIS  82 -11.973   3.709  -2.864
  564    HB2  HIS  82           HB2      HIS  82 -12.572   3.594  -0.370
  565    HB3  HIS  82           HB3      HIS  82 -13.665   2.296  -0.809
  566    HD2  HIS  82           HD2      HIS  82 -12.640   0.189   0.034
  567    HE1  HIS  82           HE1      HIS  82  -8.666   0.460  -1.381
  568    HE2  HIS  82           HE2      HIS  82 -10.379  -1.031  -0.291
  569    H    GLU  83           H        GLU  83 -12.048   1.084  -3.415
  570    HA   GLU  83           HA       GLU  83 -13.976   1.028  -5.672
  571    HB2  GLU  83           HB2      GLU  83 -12.073   2.702  -5.908
  572    HB3  GLU  83           HB3      GLU  83 -10.990   1.334  -6.113
  573    HG2  GLU  83           HG2      GLU  83 -12.007   0.706  -8.177
  574    HG3  GLU  83           HG3      GLU  83 -13.492   1.597  -7.819
  575    H    GLY  84           H        GLY  84 -13.812  -0.717  -7.122
  576    HA2  GLY  84           HA2      GLY  84 -12.188  -3.092  -6.468
  577    HA3  GLY  84           HA3      GLY  84 -13.938  -3.216  -6.281
  578    HA   PRO  85           HA       PRO  85 -13.256  -4.201 -10.778
  579    HB2  PRO  85           HB2      PRO  85 -14.816  -6.431 -10.921
  580    HB3  PRO  85           HB3      PRO  85 -13.142  -6.483 -10.288
  581    HG2  PRO  85           HG2      PRO  85 -15.723  -6.256  -8.694
  582    HG3  PRO  85           HG3      PRO  85 -14.384  -7.427  -8.459
  583    HD2  PRO  85           HD2      PRO  85 -14.533  -5.147  -6.996
  584    HD3  PRO  85           HD3      PRO  85 -12.957  -5.766  -7.588
  585    H    GLU  86           H        GLU  86 -15.832  -3.318  -8.711
  586    HA   GLU  86           HA       GLU  86 -17.208  -2.042 -10.935
  587    HB2  GLU  86           HB2      GLU  86 -19.410  -2.480 -10.014
  588    HB3  GLU  86           HB3      GLU  86 -18.653  -3.976 -10.536
  589    HG2  GLU  86           HG2      GLU  86 -18.309  -4.751  -8.323
  590    HG3  GLU  86           HG3      GLU  86 -18.491  -3.143  -7.617
  591    H    GLY  87           H        GLY  87 -18.530  -0.195 -10.071
  592    HA2  GLY  87           HA2      GLY  87 -18.843   1.583  -8.525
  593    HA3  GLY  87           HA3      GLY  87 -17.541   0.951  -7.515
  594    H    GLN  88           H        GLN  88 -16.850   3.163  -7.468
  595    HA   GLN  88           HA       GLN  88 -14.502   3.485  -9.012
  596    HB2  GLN  88           HB2      GLN  88 -16.456   4.640 -10.435
  597    HB3  GLN  88           HB3      GLN  88 -16.271   5.931  -9.257
  598    HG2  GLN  88           HG2      GLN  88 -14.066   4.758 -11.020
  599    HG3  GLN  88           HG3      GLN  88 -14.946   6.243 -11.352
  600   HE21  GLN  88          HE21      GLN  88 -12.167   4.898  -9.706
  601   HE22  GLN  88          HE22      GLN  88 -11.704   6.423  -8.979
  602    H    GLY  89           H        GLY  89 -13.036   4.649  -7.635
  603    HA2  GLY  89           HA2      GLY  89 -14.125   5.876  -5.125
  604    HA3  GLY  89           HA3      GLY  89 -13.062   4.491  -5.078
  605    H    HIS  90           H        HIS  90 -11.003   4.676  -6.354
  606    HA   HIS  90           HA       HIS  90  -9.658   7.244  -6.145
  607    HB2  HIS  90           HB2      HIS  90  -8.476   5.092  -4.412
  608    HB3  HIS  90           HB3      HIS  90  -8.180   6.793  -4.398
  609    HD2  HIS  90           HD2      HIS  90 -10.746   8.147  -3.473
  610    HE1  HIS  90           HE1      HIS  90 -10.922   5.348  -0.298
  611    HE2  HIS  90           HE2      HIS  90 -11.658   7.654  -1.123
  612    H    LEU  91           H        LEU  91  -8.255   7.184  -7.890
  613    HA   LEU  91           HA       LEU  91  -7.485   4.803  -9.193
  614    HB2  LEU  91           HB2      LEU  91  -6.229   6.070 -10.634
  615    HB3  LEU  91           HB3      LEU  91  -7.517   7.151 -10.138
  616    HG   LEU  91           HG       LEU  91  -4.630   7.206  -9.119
  617   HD11  LEU  91          HD11      LEU  91  -6.094   9.044 -11.059
  618   HD12  LEU  91          HD12      LEU  91  -4.420   9.235 -10.491
  619   HD13  LEU  91          HD13      LEU  91  -4.854   7.841 -11.493
  620   HD21  LEU  91          HD21      LEU  91  -6.136   8.151  -7.403
  621   HD22  LEU  91          HD22      LEU  91  -5.203   9.427  -8.187
  622   HD23  LEU  91          HD23      LEU  91  -6.901   9.188  -8.631
  623    H    GLY  92           H        GLY  92  -6.091   6.130  -6.339
  624    HA2  GLY  92           HA2      GLY  92  -3.492   4.844  -6.492
  625    HA3  GLY  92           HA3      GLY  92  -4.204   5.694  -5.099
  626    H    ASP  93           H        ASP  93  -6.334   3.247  -6.131
  627    HA   ASP  93           HA       ASP  93  -5.320   1.296  -4.137
  628    HB2  ASP  93           HB2      ASP  93  -7.921   1.432  -5.711
  629    HB3  ASP  93           HB3      ASP  93  -7.524   0.203  -4.511
  630    H    LEU  94           H        LEU  94  -4.564  -0.759  -4.704
  631    HA   LEU  94           HA       LEU  94  -4.175  -1.446  -7.570
  632    HB2  LEU  94           HB2      LEU  94  -1.992  -1.574  -5.428
  633    HB3  LEU  94           HB3      LEU  94  -1.837  -1.966  -7.095
  634    HG   LEU  94           HG       LEU  94  -2.521   0.561  -7.497
  635   HD11  LEU  94          HD11      LEU  94  -1.166   0.689  -4.785
  636   HD12  LEU  94          HD12      LEU  94  -1.588   2.067  -5.844
  637   HD13  LEU  94          HD13      LEU  94  -2.857   1.102  -5.114
  638   HD21  LEU  94          HD21      LEU  94  -0.310  -0.583  -8.061
  639   HD22  LEU  94          HD22      LEU  94  -0.158   1.126  -7.620
  640   HD23  LEU  94          HD23      LEU  94   0.250  -0.138  -6.441
  641    HA   PRO  95           HA       PRO  95  -5.465  -5.419  -6.327
  642    HB2  PRO  95           HB2      PRO  95  -4.211  -7.237  -7.912
  643    HB3  PRO  95           HB3      PRO  95  -5.270  -5.953  -8.583
  644    HG2  PRO  95           HG2      PRO  95  -2.247  -5.944  -8.343
  645    HG3  PRO  95           HG3      PRO  95  -3.239  -5.543  -9.781
  646    HD2  PRO  95           HD2      PRO  95  -2.235  -3.686  -8.058
  647    HD3  PRO  95           HD3      PRO  95  -3.791  -3.426  -8.913
  648    H    VAL  96           H        VAL  96  -5.005  -7.570  -5.387
  649    HA   VAL  96           HA       VAL  96  -3.440  -6.985  -3.111
  650    HB   VAL  96           HB       VAL  96  -4.248  -9.050  -2.110
  651   HG11  VAL  96          HG11      VAL  96  -6.433  -7.574  -3.646
  652   HG12  VAL  96          HG12      VAL  96  -6.626  -8.511  -2.154
  653   HG13  VAL  96          HG13      VAL  96  -5.665  -7.022  -2.141
  654   HG21  VAL  96          HG21      VAL  96  -4.207 -10.607  -3.997
  655   HG22  VAL  96          HG22      VAL  96  -5.812 -10.530  -3.272
  656   HG23  VAL  96          HG23      VAL  96  -5.499  -9.691  -4.809
  657    H    LEU  97           H        LEU  97  -1.837  -7.844  -2.120
  658    HA   LEU  97           HA       LEU  97   0.368  -9.143  -3.547
  659    HB2  LEU  97           HB2      LEU  97   0.332  -6.900  -2.267
  660    HB3  LEU  97           HB3      LEU  97   0.020  -7.767  -0.829
  661    HG   LEU  97           HG       LEU  97   2.176  -7.794  -0.421
  662   HD11  LEU  97          HD11      LEU  97   2.610  -9.432  -2.950
  663   HD12  LEU  97          HD12      LEU  97   3.774  -9.217  -1.623
  664   HD13  LEU  97          HD13      LEU  97   2.278 -10.097  -1.323
  665   HD21  LEU  97          HD21      LEU  97   2.311  -5.877  -1.874
  666   HD22  LEU  97          HD22      LEU  97   3.823  -6.805  -1.915
  667   HD23  LEU  97          HD23      LEU  97   2.671  -6.918  -3.274
  668    H    VAL  98           H        VAL  98   0.187 -11.416  -3.398
  669    HA   VAL  98           HA       VAL  98  -1.002 -12.631  -0.962
  670    HB   VAL  98           HB       VAL  98  -0.203 -13.835  -3.624
  671   HG11  VAL  98          HG11      VAL  98  -1.603 -15.114  -1.221
  672   HG12  VAL  98          HG12      VAL  98  -1.499 -15.844  -2.840
  673   HG13  VAL  98          HG13      VAL  98  -0.027 -15.584  -1.905
  674   HG21  VAL  98          HG21      VAL  98  -2.152 -12.373  -3.809
  675   HG22  VAL  98          HG22      VAL  98  -2.677 -14.055  -3.914
  676   HG23  VAL  98          HG23      VAL  98  -2.908 -13.150  -2.403
  677    H    VAL  99           H        VAL  99   0.054 -13.873   0.504
  678    HA   VAL  99           HA       VAL  99   2.939 -14.498   0.020
  679    HB   VAL  99           HB       VAL  99   3.436 -14.613   2.325
  680   HG11  VAL  99          HG11      VAL  99   1.957 -12.022   2.263
  681   HG12  VAL  99          HG12      VAL  99   3.580 -12.386   2.928
  682   HG13  VAL  99          HG13      VAL  99   3.305 -12.275   1.170
  683   HG21  VAL  99          HG21      VAL  99   1.362 -15.431   3.252
  684   HG22  VAL  99          HG22      VAL  99   2.038 -14.070   4.157
  685   HG23  VAL  99          HG23      VAL  99   0.648 -13.813   3.093
  686    H    ASN 100           H        ASN 100   3.577 -16.559   1.074
  687    HA   ASN 100           HA       ASN 100   1.487 -18.591   0.511
  688    HB2  ASN 100           HB2      ASN 100   3.061 -20.130   0.012
  689    HB3  ASN 100           HB3      ASN 100   3.819 -18.664  -0.588
  690   HD21  ASN 100          HD21      ASN 100   5.231 -17.577   1.519
  691   HD22  ASN 100          HD22      ASN 100   6.252 -18.822   2.241
  692    H    ASN 101           H        ASN 101   1.400 -20.493   2.016
  693    HA   ASN 101           HA       ASN 101   0.270 -19.536   4.232
  694    HB2  ASN 101           HB2      ASN 101  -0.532 -21.617   4.685
  695    HB3  ASN 101           HB3      ASN 101  -0.184 -21.677   2.971
  696   HD21  ASN 101          HD21      ASN 101   0.736 -22.845   6.166
  697   HD22  ASN 101          HD22      ASN 101   1.710 -24.181   5.580
  698    H    ASP 102           H        ASP 102   3.392 -19.436   4.330
  699    HA   ASP 102           HA       ASP 102   3.895 -20.153   7.189
  700    HB2  ASP 102           HB2      ASP 102   5.340 -21.267   5.509
  701    HB3  ASP 102           HB3      ASP 102   5.823 -19.689   4.875
  702    H    GLY 103           H        GLY 103   3.271 -17.473   5.135
  703    HA2  GLY 103           HA2      GLY 103   3.064 -15.236   5.926
  704    HA3  GLY 103           HA3      GLY 103   4.217 -15.569   7.229
  705    H    ILE 104           H        ILE 104   4.950 -16.436   3.911
  706    HA   ILE 104           HA       ILE 104   6.849 -14.131   3.693
  707    HB   ILE 104           HB       ILE 104   7.473 -17.018   2.916
  708   HG12  ILE 104          HG12      ILE 104   8.341 -15.409   5.349
  709   HG13  ILE 104          HG13      ILE 104   7.403 -16.893   5.335
  710   HG21  ILE 104          HG21      ILE 104   9.288 -14.564   2.979
  711   HG22  ILE 104          HG22      ILE 104   9.744 -16.204   2.475
  712   HG23  ILE 104          HG23      ILE 104   8.607 -15.291   1.510
  713   HD11  ILE 104          HD11      ILE 104  10.347 -16.632   4.644
  714   HD12  ILE 104          HD12      ILE 104   9.611 -17.441   6.034
  715   HD13  ILE 104          HD13      ILE 104   9.381 -18.117   4.410
  716    H    ALA 105           H        ALA 105   6.956 -13.099   1.902
  717    HA   ALA 105           HA       ALA 105   4.857 -13.545  -0.091
  718    HB1  ALA 105           HB1      ALA 105   6.777 -11.205   0.261
  719    HB2  ALA 105           HB2      ALA 105   5.173 -11.207  -0.533
  720    HB3  ALA 105           HB3      ALA 105   5.313 -11.362   1.226
  721    H    THR 106           H        THR 106   5.183 -13.552  -2.280
  722    HA   THR 106           HA       THR 106   7.702 -13.347  -3.630
  723    HB   THR 106           HB       THR 106   7.791 -15.563  -2.302
  724    HG1  THR 106           HG1      THR 106   9.270 -16.152  -3.637
  725   HG21  THR 106          HG21      THR 106   6.388 -16.602  -4.799
  726   HG22  THR 106          HG22      THR 106   7.105 -17.555  -3.490
  727   HG23  THR 106          HG23      THR 106   5.672 -16.564  -3.171
  728    H    GLU 107           H        GLU 107   4.286 -14.145  -3.720
  729    HA   GLU 107           HA       GLU 107   4.006 -14.439  -6.523
  730    HB2  GLU 107           HB2      GLU 107   1.987 -13.383  -4.522
  731    HB3  GLU 107           HB3      GLU 107   1.631 -14.059  -6.106
  732    HG2  GLU 107           HG2      GLU 107   2.861 -15.633  -3.787
  733    HG3  GLU 107           HG3      GLU 107   1.151 -15.564  -4.157
  734    HA   PRO 108           HA       PRO 108   4.588  -9.972  -7.265
  735    HB2  PRO 108           HB2      PRO 108   5.131  -9.991  -9.916
  736    HB3  PRO 108           HB3      PRO 108   6.265 -10.712  -8.733
  737    HG2  PRO 108           HG2      PRO 108   4.157 -12.143 -10.393
  738    HG3  PRO 108           HG3      PRO 108   5.891 -12.563 -10.217
  739    HD2  PRO 108           HD2      PRO 108   3.908 -13.723  -8.698
  740    HD3  PRO 108           HD3      PRO 108   5.558 -13.448  -8.081
  741    H    VAL 109           H        VAL 109   3.574  -8.269  -8.507
  742    HA   VAL 109           HA       VAL 109   1.183  -8.902 -10.128
  743    HB   VAL 109           HB       VAL 109  -0.202  -7.165  -9.075
  744   HG11  VAL 109          HG11      VAL 109   0.475  -9.337  -7.063
  745   HG12  VAL 109          HG12      VAL 109  -1.046  -8.436  -7.225
  746   HG13  VAL 109          HG13      VAL 109  -0.548  -9.551  -8.505
  747   HG21  VAL 109          HG21      VAL 109   1.472  -5.799  -7.925
  748   HG22  VAL 109          HG22      VAL 109   0.238  -6.353  -6.790
  749   HG23  VAL 109          HG23      VAL 109   1.831  -7.134  -6.804
  750    H    THR 110           H        THR 110   0.452  -7.020 -11.423
  751    HA   THR 110           HA       THR 110   2.555  -4.921 -11.770
  752    HB   THR 110           HB       THR 110   0.844  -6.019 -14.029
  753    HG1  THR 110           HG1      THR 110   2.492  -7.279 -14.619
  754   HG21  THR 110          HG21      THR 110   3.476  -4.460 -13.986
  755   HG22  THR 110          HG22      THR 110   2.640  -5.038 -15.440
  756   HG23  THR 110          HG23      THR 110   1.885  -3.802 -14.431
  757    H    ALA 111           H        ALA 111   1.850  -2.864 -11.935
  758    HA   ALA 111           HA       ALA 111  -1.103  -2.371 -11.883
  759    HB1  ALA 111           HB1      ALA 111   1.176  -0.638 -10.875
  760    HB2  ALA 111           HB2      ALA 111  -0.559  -0.296 -10.735
  761    HB3  ALA 111           HB3      ALA 111   0.146  -1.697  -9.894
  762    HA   PRO 112           HA       PRO 112   0.178  -0.900 -16.052
  763    HB2  PRO 112           HB2      PRO 112  -2.181  -1.253 -17.377
  764    HB3  PRO 112           HB3      PRO 112  -1.134  -2.624 -16.904
  765    HG2  PRO 112           HG2      PRO 112  -3.527  -1.516 -15.387
  766    HG3  PRO 112           HG3      PRO 112  -3.242  -3.216 -15.878
  767    HD2  PRO 112           HD2      PRO 112  -2.589  -2.351 -13.409
  768    HD3  PRO 112           HD3      PRO 112  -1.517  -3.490 -14.280
  769    H    ARG 113           H        ARG 113  -1.644   0.588 -13.731
  770    HA   ARG 113           HA       ARG 113  -2.719   2.807 -15.355
  771    HB2  ARG 113           HB2      ARG 113  -4.058   1.744 -13.573
  772    HB3  ARG 113           HB3      ARG 113  -2.884   2.251 -12.357
  773    HG2  ARG 113           HG2      ARG 113  -3.573   4.485 -12.435
  774    HG3  ARG 113           HG3      ARG 113  -4.068   4.373 -14.128
  775    HD2  ARG 113           HD2      ARG 113  -6.045   4.666 -12.865
  776    HD3  ARG 113           HD3      ARG 113  -6.016   3.020 -13.496
  777    HE   ARG 113           HE       ARG 113  -5.058   3.366 -10.708
  778   HH11  ARG 113          HH11      ARG 113  -7.929   2.788 -12.729
  779   HH12  ARG 113          HH12      ARG 113  -8.810   2.068 -11.407
  780   HH21  ARG 113          HH21      ARG 113  -6.247   2.339  -9.078
  781   HH22  ARG 113          HH22      ARG 113  -7.892   1.844  -9.411
  782    H    LEU 114           H        LEU 114   0.256   2.048 -14.188
  783    HA   LEU 114           HA       LEU 114   1.269   4.840 -14.128
  784    HB2  LEU 114           HB2      LEU 114   1.780   2.651 -12.056
  785    HB3  LEU 114           HB3      LEU 114   2.735   4.128 -12.183
  786    HG   LEU 114           HG       LEU 114  -0.265   4.224 -11.654
  787   HD11  LEU 114          HD11      LEU 114   1.933   4.034  -9.573
  788   HD12  LEU 114          HD12      LEU 114   0.204   4.326  -9.278
  789   HD13  LEU 114          HD13      LEU 114   0.733   2.773  -9.943
  790   HD21  LEU 114          HD21      LEU 114   0.820   6.367 -12.283
  791   HD22  LEU 114          HD22      LEU 114   0.299   6.374 -10.581
  792   HD23  LEU 114          HD23      LEU 114   2.009   6.138 -10.976
  793    H    LYS 115           H        LYS 115   2.980   4.864 -15.508
  794    HA   LYS 115           HA       LYS 115   4.291   2.281 -16.284
  795    HB2  LYS 115           HB2      LYS 115   3.513   4.523 -18.180
  796    HB3  LYS 115           HB3      LYS 115   4.479   3.095 -18.585
  797    HG2  LYS 115           HG2      LYS 115   2.481   1.683 -17.750
  798    HG3  LYS 115           HG3      LYS 115   1.542   3.185 -17.808
  799    HD2  LYS 115           HD2      LYS 115   2.196   3.418 -20.237
  800    HD3  LYS 115           HD3      LYS 115   3.033   1.855 -20.117
  801    HE2  LYS 115           HE2      LYS 115   0.805   0.863 -19.328
  802    HE3  LYS 115           HE3      LYS 115   0.053   2.404 -19.763
  803    HZ1  LYS 115           HZ1      LYS 115   1.448   0.524 -21.574
  804    HZ2  LYS 115           HZ2      LYS 115  -0.152   0.900 -21.601
  805    HZ3  LYS 115           HZ3      LYS 115   1.001   2.012 -22.053
  806    H    SER 116           H        SER 116   4.904   5.051 -14.692
  807    HA   SER 116           HA       SER 116   7.825   4.566 -15.130
  808    HB2  SER 116           HB2      SER 116   7.242   6.411 -16.640
  809    HB3  SER 116           HB3      SER 116   6.550   7.310 -15.274
  810    HG   SER 116           HG       SER 116   8.570   8.052 -15.424
  811    H    LEU 117           H        LEU 117   9.203   5.162 -13.422
  812    HA   LEU 117           HA       LEU 117   8.053   5.306 -10.757
  813    HB2  LEU 117           HB2      LEU 117  10.881   5.601 -11.874
  814    HB3  LEU 117           HB3      LEU 117  10.508   6.028 -10.225
  815    HG   LEU 117           HG       LEU 117  11.378   3.986  -9.979
  816   HD11  LEU 117          HD11      LEU 117   8.425   3.261 -10.147
  817   HD12  LEU 117          HD12      LEU 117   9.656   2.461  -9.176
  818   HD13  LEU 117          HD13      LEU 117   9.195   4.128  -8.793
  819   HD21  LEU 117          HD21      LEU 117  11.568   3.222 -12.257
  820   HD22  LEU 117          HD22      LEU 117  11.009   1.960 -11.161
  821   HD23  LEU 117          HD23      LEU 117   9.841   2.756 -12.254
  822    H    ASP 118           H        ASP 118   8.918   7.805 -13.122
  823    HA   ASP 118           HA       ASP 118   9.178   9.880 -11.177
  824    HB2  ASP 118           HB2      ASP 118   9.209  11.431 -12.916
  825    HB3  ASP 118           HB3      ASP 118   9.994   9.990 -13.553
  826    H    GLU 119           H        GLU 119   6.334   8.315 -12.327
  827    HA   GLU 119           HA       GLU 119   4.412  10.364 -11.599
  828    HB2  GLU 119           HB2      GLU 119   4.121   7.339 -11.826
  829    HB3  GLU 119           HB3      GLU 119   2.799   8.508 -11.756
  830    HG2  GLU 119           HG2      GLU 119   3.529   9.508 -13.890
  831    HG3  GLU 119           HG3      GLU 119   4.889   8.381 -13.982
  832    H    VAL 120           H        VAL 120   6.380   8.167  -9.775
  833    HA   VAL 120           HA       VAL 120   4.689   8.546  -7.351
  834    HB   VAL 120           HB       VAL 120   5.203   6.241  -6.660
  835   HG11  VAL 120          HG11      VAL 120   3.788   6.372  -9.339
  836   HG12  VAL 120          HG12      VAL 120   3.616   5.124  -8.094
  837   HG13  VAL 120          HG13      VAL 120   3.074   6.780  -7.763
  838   HG21  VAL 120          HG21      VAL 120   7.275   5.888  -8.073
  839   HG22  VAL 120          HG22      VAL 120   6.080   4.587  -8.208
  840   HG23  VAL 120          HG23      VAL 120   6.220   5.792  -9.501
  841    H    LYS 121           H        LYS 121   7.540   9.513  -8.478
  842    HA   LYS 121           HA       LYS 121   9.487   8.698  -6.636
  843    HB2  LYS 121           HB2      LYS 121  10.841  10.485  -7.582
  844    HB3  LYS 121           HB3      LYS 121   9.948   9.619  -8.828
  845    HG2  LYS 121           HG2      LYS 121   8.258  11.460  -8.871
  846    HG3  LYS 121           HG3      LYS 121   9.197  12.350  -7.672
  847    HD2  LYS 121           HD2      LYS 121  11.017  12.697  -9.186
  848    HD3  LYS 121           HD3      LYS 121  10.431  11.458 -10.305
  849    HE2  LYS 121           HE2      LYS 121   8.407  12.799 -10.774
  850    HE3  LYS 121           HE3      LYS 121   8.991  14.082  -9.710
  851    HZ1  LYS 121           HZ1      LYS 121  10.489  13.135 -12.099
  852    HZ2  LYS 121           HZ2      LYS 121   9.427  14.393 -12.125
  853    HZ3  LYS 121           HZ3      LYS 121  10.790  14.495 -11.220
  854    H    ASP 122           H        ASP 122   6.948  10.237  -5.489
  855    HA   ASP 122           HA       ASP 122   8.401  11.561  -3.238
  856    HB2  ASP 122           HB2      ASP 122   7.510  13.114  -5.123
  857    HB3  ASP 122           HB3      ASP 122   5.903  12.697  -4.549
  858    H    LYS 123           H        LYS 123   6.394   9.083  -4.037
  859    HA   LYS 123           HA       LYS 123   4.210   9.543  -2.090
  860    HB2  LYS 123           HB2      LYS 123   4.577   7.262  -4.059
  861    HB3  LYS 123           HB3      LYS 123   3.103   7.719  -3.242
  862    HG2  LYS 123           HG2      LYS 123   4.483   9.371  -5.399
  863    HG3  LYS 123           HG3      LYS 123   3.160   8.226  -5.640
  864    HD2  LYS 123           HD2      LYS 123   1.964   9.748  -3.827
  865    HD3  LYS 123           HD3      LYS 123   3.119  10.967  -4.397
  866    HE2  LYS 123           HE2      LYS 123   1.193   9.321  -6.095
  867    HE3  LYS 123           HE3      LYS 123   0.894  10.987  -5.575
  868    HZ1  LYS 123           HZ1      LYS 123   3.117  10.200  -7.408
  869    HZ2  LYS 123           HZ2      LYS 123   1.730  10.881  -7.859
  870    HZ3  LYS 123           HZ3      LYS 123   2.722  11.743  -6.920
  871    H    ALA 124           H        ALA 124   3.365   7.532  -0.961
  872    HA   ALA 124           HA       ALA 124   5.526   5.711   0.042
  873    HB1  ALA 124           HB1      ALA 124   2.977   6.659   1.411
  874    HB2  ALA 124           HB2      ALA 124   4.044   5.357   2.014
  875    HB3  ALA 124           HB3      ALA 124   4.644   7.003   1.891
  876    H    LEU 125           H        LEU 125   5.045   3.545   0.264
  877    HA   LEU 125           HA       LEU 125   2.780   2.351  -1.325
  878    HB2  LEU 125           HB2      LEU 125   5.682   1.446  -1.038
  879    HB3  LEU 125           HB3      LEU 125   4.435   0.493  -1.817
  880    HG   LEU 125           HG       LEU 125   5.080   3.239  -2.912
  881   HD11  LEU 125          HD11      LEU 125   6.690   0.677  -3.303
  882   HD12  LEU 125          HD12      LEU 125   6.849   2.127  -4.320
  883   HD13  LEU 125          HD13      LEU 125   7.227   2.215  -2.596
  884   HD21  LEU 125          HD21      LEU 125   4.352   2.333  -5.002
  885   HD22  LEU 125          HD22      LEU 125   4.444   0.672  -4.412
  886   HD23  LEU 125          HD23      LEU 125   3.167   1.755  -3.808
  887    H    MET 126           H        MET 126   1.698   0.757  -0.082
  888    HA   MET 126           HA       MET 126   3.225  -0.427   2.208
  889    HB2  MET 126           HB2      MET 126   0.394   0.250   2.802
  890    HB3  MET 126           HB3      MET 126   1.751   0.081   3.844
  891    HG2  MET 126           HG2      MET 126   1.184   2.345   3.932
  892    HG3  MET 126           HG3      MET 126   2.614   2.294   2.939
  893    HE1  MET 126           HE1      MET 126   2.092   4.508   2.783
  894    HE2  MET 126           HE2      MET 126   1.267   5.194   1.369
  895    HE3  MET 126           HE3      MET 126   0.390   4.981   2.913
  896    H    ILE 127           H        ILE 127   2.668  -2.355   2.964
  897    HA   ILE 127           HA       ILE 127   0.780  -4.055   1.375
  898    HB   ILE 127           HB       ILE 127   3.044  -4.786   3.273
  899   HG12  ILE 127          HG12      ILE 127   2.545  -5.349   0.309
  900   HG13  ILE 127          HG13      ILE 127   3.631  -4.109   0.908
  901   HG21  ILE 127          HG21      ILE 127   1.087  -6.635   1.832
  902   HG22  ILE 127          HG22      ILE 127   2.444  -7.143   2.848
  903   HG23  ILE 127          HG23      ILE 127   1.078  -6.333   3.588
  904   HD11  ILE 127          HD11      ILE 127   3.990  -7.109   1.240
  905   HD12  ILE 127          HD12      ILE 127   4.946  -5.992   0.267
  906   HD13  ILE 127          HD13      ILE 127   5.000  -5.874   2.038
  907    H    HIS 128           H        HIS 128  -1.105  -4.275   2.129
  908    HA   HIS 128           HA       HIS 128  -1.795  -3.210   4.770
  909    HB2  HIS 128           HB2      HIS 128  -3.301  -3.649   2.186
  910    HB3  HIS 128           HB3      HIS 128  -4.061  -3.042   3.609
  911    HD1  HIS 128           HD1      HIS 128  -1.209  -1.873   1.296
  912    HD2  HIS 128           HD2      HIS 128  -4.031  -0.542   4.084
  913    HE1  HIS 128           HE1      HIS 128  -1.284   0.683   1.053
  914    H    VAL 129           H        VAL 129  -3.368  -4.193   6.150
  915    HA   VAL 129           HA       VAL 129  -2.233  -6.658   6.854
  916    HB   VAL 129           HB       VAL 129  -4.846  -5.549   7.929
  917   HG11  VAL 129          HG11      VAL 129  -2.948  -7.630   9.111
  918   HG12  VAL 129          HG12      VAL 129  -4.287  -6.861   9.991
  919   HG13  VAL 129          HG13      VAL 129  -4.632  -7.898   8.608
  920   HG21  VAL 129          HG21      VAL 129  -2.910  -3.979   8.191
  921   HG22  VAL 129          HG22      VAL 129  -3.452  -4.611   9.744
  922   HG23  VAL 129          HG23      VAL 129  -1.989  -5.264   8.986
  923    H    GLY 130           H        GLY 130  -5.504  -6.172   5.494
  924    HA2  GLY 130           HA2      GLY 130  -5.499  -9.016   4.523
  925    HA3  GLY 130           HA3      GLY 130  -6.974  -8.090   4.866
  926    H    GLY 131           H        GLY 131  -6.600  -9.210   2.418
  927    HA2  GLY 131           HA2      GLY 131  -5.820  -7.408   0.328
  928    HA3  GLY 131           HA3      GLY 131  -6.936  -8.773   0.205
  929    H    ASP 132           H        ASP 132  -7.811  -7.104  -1.377
  930    HA   ASP 132           HA       ASP 132  -9.893  -5.416  -0.206
  931    HB2  ASP 132           HB2      ASP 132  -7.514  -4.268  -0.102
  932    HB3  ASP 132           HB3      ASP 132  -7.734  -4.045  -1.825
  933    H    ASN 133           H        ASN 133 -10.919  -4.155  -1.859
  934    HA   ASN 133           HA       ASN 133 -11.126  -3.968  -4.426
  935    HB2  ASN 133           HB2      ASN 133 -12.437  -5.677  -5.496
  936    HB3  ASN 133           HB3      ASN 133 -10.924  -6.344  -4.966
  937   HD21  ASN 133          HD21      ASN 133 -11.030  -7.611  -2.850
  938   HD22  ASN 133          HD22      ASN 133 -12.497  -8.559  -2.574
  939    H    MET 134           H        MET 134 -12.122  -2.978  -1.842
  940    HA   MET 134           HA       MET 134 -15.043  -3.423  -1.900
  941    HB2  MET 134           HB2      MET 134 -13.162  -2.135   0.110
  942    HB3  MET 134           HB3      MET 134 -14.913  -2.277   0.328
  943    HG2  MET 134           HG2      MET 134 -14.782  -4.719   0.148
  944    HG3  MET 134           HG3      MET 134 -13.041  -4.642  -0.125
  945    HE1  MET 134           HE1      MET 134 -11.664  -2.851   1.813
  946    HE2  MET 134           HE2      MET 134 -11.480  -3.896   3.241
  947    HE3  MET 134           HE3      MET 134 -11.262  -4.567   1.617
  948    H    SER 135           H        SER 135 -16.124  -2.148  -3.371
  949    HA   SER 135           HA       SER 135 -15.677   0.765  -3.315
  950    HB2  SER 135           HB2      SER 135 -17.589   0.583  -5.102
  951    HB3  SER 135           HB3      SER 135 -15.916   0.184  -5.489
  952    HG   SER 135           HG       SER 135 -17.027  -1.459  -6.294
  953    H    ASP 136           H        ASP 136 -17.326   2.283  -2.991
  954    HA   ASP 136           HA       ASP 136 -19.236   3.225  -2.356
  955    HB2  ASP 136           HB2      ASP 136 -19.827   1.560  -4.229
  956    HB3  ASP 136           HB3      ASP 136 -20.589   0.577  -2.974
  957    H    GLN 137           H        GLN 137 -17.897   1.681  -0.099
  958    HA   GLN 137           HA       GLN 137 -20.180   0.858   1.539
  959    HB2  GLN 137           HB2      GLN 137 -18.620  -0.094   3.045
  960    HB3  GLN 137           HB3      GLN 137 -18.153  -0.535   1.428
  961    HG2  GLN 137           HG2      GLN 137 -16.858   1.754   2.988
  962    HG3  GLN 137           HG3      GLN 137 -16.336   0.077   3.121
  963   HE21  GLN 137          HE21      GLN 137 -16.868  -0.133  -0.065
  964   HE22  GLN 137          HE22      GLN 137 -15.300   0.475  -0.560
  965    HA   PRO 138           HA       PRO 138 -20.374   4.522   4.075
  966    HB2  PRO 138           HB2      PRO 138 -21.677   3.690   6.301
  967    HB3  PRO 138           HB3      PRO 138 -22.443   3.651   4.684
  968    HG2  PRO 138           HG2      PRO 138 -21.068   1.368   6.143
  969    HG3  PRO 138           HG3      PRO 138 -22.687   1.367   5.372
  970    HD2  PRO 138           HD2      PRO 138 -20.464   0.429   4.096
  971    HD3  PRO 138           HD3      PRO 138 -21.765   1.279   3.212
  972    H    LYS 139           H        LYS 139 -18.599   1.765   5.444
  973    HA   LYS 139           HA       LYS 139 -17.071   3.654   7.196
  974    HB2  LYS 139           HB2      LYS 139 -17.229   0.626   7.179
  975    HB3  LYS 139           HB3      LYS 139 -16.076   1.539   8.139
  976    HG2  LYS 139           HG2      LYS 139 -19.103   1.834   8.433
  977    HG3  LYS 139           HG3      LYS 139 -18.127   0.677   9.319
  978    HD2  LYS 139           HD2      LYS 139 -18.414   2.406  10.807
  979    HD3  LYS 139           HD3      LYS 139 -16.762   2.621  10.245
  980    HE2  LYS 139           HE2      LYS 139 -17.375   4.546   8.920
  981    HE3  LYS 139           HE3      LYS 139 -19.094   4.138   9.004
  982    HZ1  LYS 139           HZ1      LYS 139 -17.451   5.060  11.308
  983    HZ2  LYS 139           HZ2      LYS 139 -18.544   5.945  10.484
  984    HZ3  LYS 139           HZ3      LYS 139 -19.062   4.653  11.349
  985    HA   PRO 140           HA       PRO 140 -15.032   3.425   3.224
  986    HB2  PRO 140           HB2      PRO 140 -13.297   5.552   3.384
  987    HB3  PRO 140           HB3      PRO 140 -15.055   5.703   3.108
  988    HG2  PRO 140           HG2      PRO 140 -13.573   5.906   5.751
  989    HG3  PRO 140           HG3      PRO 140 -14.786   7.042   5.073
  990    HD2  PRO 140           HD2      PRO 140 -15.506   5.156   6.864
  991    HD3  PRO 140           HD3      PRO 140 -16.564   5.512   5.460
  992    H    LEU 141           H        LEU 141 -13.337   2.469   2.407
  993    HA   LEU 141           HA       LEU 141 -11.405   1.356   2.086
  994    HB2  LEU 141           HB2      LEU 141 -10.394   2.122   4.855
  995    HB3  LEU 141           HB3      LEU 141  -9.532   1.309   3.579
  996    HG   LEU 141           HG       LEU 141  -8.617   3.321   3.372
  997   HD11  LEU 141          HD11      LEU 141 -11.016   3.795   1.566
  998   HD12  LEU 141          HD12      LEU 141  -9.398   4.495   1.411
  999   HD13  LEU 141          HD13      LEU 141  -9.631   2.747   1.185
 1000   HD21  LEU 141          HD21      LEU 141  -9.966   4.462   5.104
 1001   HD22  LEU 141          HD22      LEU 141  -9.569   5.495   3.721
 1002   HD23  LEU 141          HD23      LEU 141 -11.197   4.825   3.877
 1003    H    GLY 142           H        GLY 142 -13.671   0.698   4.500
 1004    HA2  GLY 142           HA2      GLY 142 -14.552  -1.304   5.211
 1005    HA3  GLY 142           HA3      GLY 142 -13.682  -2.030   3.848
 1006    H    GLY 143           H        GLY 143 -11.667  -0.566   6.213
 1007    HA2  GLY 143           HA2      GLY 143 -10.372  -1.537   7.976
 1008    HA3  GLY 143           HA3      GLY 143 -11.026  -3.143   7.571
 1009    H    GLY 144           H        GLY 144 -10.397  -2.509   4.607
 1010    HA2  GLY 144           HA2      GLY 144  -7.788  -3.729   4.446
 1011    HA3  GLY 144           HA3      GLY 144  -8.740  -3.053   3.106
 1012    H    GLY 145           H        GLY 145  -8.639  -0.478   4.997
 1013    HA2  GLY 145           HA2      GLY 145  -6.242   0.781   3.873
 1014    HA3  GLY 145           HA3      GLY 145  -7.394   1.503   5.025
 1015    H    THR 146           H        THR 146  -6.547  -1.335   6.494
 1016    HA   THR 146           HA       THR 146  -4.598  -0.060   8.277
 1017    HB   THR 146           HB       THR 146  -4.590  -2.279   9.427
 1018    HG1  THR 146           HG1      THR 146  -6.799  -2.957   7.803
 1019   HG21  THR 146          HG21      THR 146  -7.348  -1.049   8.986
 1020   HG22  THR 146          HG22      THR 146  -6.881  -2.132  10.314
 1021   HG23  THR 146          HG23      THR 146  -6.137  -0.530  10.177
 1022    H    ARG 147           H        ARG 147  -2.434  -0.338   8.300
 1023    HA   ARG 147           HA       ARG 147  -1.204  -1.822   6.034
 1024    HB2  ARG 147           HB2      ARG 147   0.177   0.189   7.818
 1025    HB3  ARG 147           HB3      ARG 147   0.733  -0.516   6.310
 1026    HG2  ARG 147           HG2      ARG 147   0.060   1.483   5.503
 1027    HG3  ARG 147           HG3      ARG 147  -1.478   0.645   5.314
 1028    HD2  ARG 147           HD2      ARG 147  -2.258   1.610   7.459
 1029    HD3  ARG 147           HD3      ARG 147  -0.669   2.324   7.738
 1030    HE   ARG 147           HE       ARG 147  -2.826   3.455   6.264
 1031   HH11  ARG 147          HH11      ARG 147   0.758   3.312   5.961
 1032   HH12  ARG 147          HH12      ARG 147   0.864   4.976   5.668
 1033   HH21  ARG 147          HH21      ARG 147  -2.549   5.642   6.070
 1034   HH22  ARG 147          HH22      ARG 147  -0.953   6.306   5.978
 1035    H    TYR 148           H        TYR 148   0.114  -3.563   6.397
 1036    HA   TYR 148           HA       TYR 148   0.837  -4.270   9.227
 1037    HB2  TYR 148           HB2      TYR 148  -0.175  -6.014   7.613
 1038    HB3  TYR 148           HB3      TYR 148   1.340  -6.001   6.730
 1039    HD1  TYR 148           HD1      TYR 148  -0.330  -6.901   9.894
 1040    HD2  TYR 148           HD2      TYR 148   3.400  -6.904   7.723
 1041    HE1  TYR 148           HE1      TYR 148   0.600  -8.577  11.487
 1042    HE2  TYR 148           HE2      TYR 148   4.329  -8.553   9.324
 1043    HH   TYR 148           HH       TYR 148   3.855  -9.998  11.046
 1044    H    ALA 149           H        ALA 149   2.200  -3.441   6.014
 1045    HA   ALA 149           HA       ALA 149   4.652  -2.508   7.387
 1046    HB1  ALA 149           HB1      ALA 149   4.722  -4.286   4.911
 1047    HB2  ALA 149           HB2      ALA 149   6.103  -3.649   5.822
 1048    HB3  ALA 149           HB3      ALA 149   5.048  -4.856   6.568
 1049    H    CYS 150           H        CYS 150   5.409  -0.642   6.650
 1050    HA   CYS 150           HA       CYS 150   4.206   0.673   4.243
 1051    HB2  CYS 150           HB2      CYS 150   4.868   1.540   7.043
 1052    HB3  CYS 150           HB3      CYS 150   5.219   2.664   5.760
 1053    H    GLY 151           H        GLY 151   5.572   1.722   2.846
 1054    HA2  GLY 151           HA2      GLY 151   8.471   2.027   3.436
 1055    HA3  GLY 151           HA3      GLY 151   7.987   1.147   1.993
 1056    H    VAL 152           H        VAL 152   9.540   3.295   1.624
 1057    HA   VAL 152           HA       VAL 152   7.781   5.467   0.562
 1058    HB   VAL 152           HB       VAL 152  10.179   5.851   2.403
 1059   HG11  VAL 152          HG11      VAL 152   8.619   7.929   0.804
 1060   HG12  VAL 152          HG12      VAL 152   9.726   8.312   2.143
 1061   HG13  VAL 152          HG13      VAL 152  10.356   7.561   0.684
 1062   HG21  VAL 152          HG21      VAL 152   8.094   5.413   3.633
 1063   HG22  VAL 152          HG22      VAL 152   8.546   7.106   3.813
 1064   HG23  VAL 152          HG23      VAL 152   7.245   6.656   2.688
 1065    H    ILE 153           H        ILE 153   8.542   6.480  -1.255
 1066    HA   ILE 153           HA       ILE 153  10.601   4.975  -2.774
 1067    HB   ILE 153           HB       ILE 153   8.490   7.022  -3.568
 1068   HG12  ILE 153          HG12      ILE 153   8.665   4.047  -4.248
 1069   HG13  ILE 153          HG13      ILE 153   7.764   4.643  -2.855
 1070   HG21  ILE 153          HG21      ILE 153  10.459   5.476  -5.313
 1071   HG22  ILE 153          HG22      ILE 153   9.082   6.399  -5.939
 1072   HG23  ILE 153          HG23      ILE 153  10.385   7.236  -5.108
 1073   HD11  ILE 153          HD11      ILE 153   7.161   5.318  -5.740
 1074   HD12  ILE 153          HD12      ILE 153   6.218   4.279  -4.679
 1075   HD13  ILE 153          HD13      ILE 153   6.326   5.994  -4.315
 1076    H    LYS 154           H        LYS 154  12.409   5.887  -3.741
 1077    HA   LYS 154           HA       LYS 154  13.178   8.673  -3.163
 1078    HB2  LYS 154           HB2      LYS 154  14.584   6.224  -2.003
 1079    HB3  LYS 154           HB3      LYS 154  15.418   7.752  -2.220
 1080    HG2  LYS 154           HG2      LYS 154  12.986   7.361  -0.427
 1081    HG3  LYS 154           HG3      LYS 154  14.669   7.401   0.084
 1082    HD2  LYS 154           HD2      LYS 154  14.884   9.723  -0.835
 1083    HD3  LYS 154           HD3      LYS 154  13.135   9.718  -1.175
 1084    HE2  LYS 154           HE2      LYS 154  12.608   9.405   1.175
 1085    HE3  LYS 154           HE3      LYS 154  14.314   9.148   1.573
 1086    HZ1  LYS 154           HZ1      LYS 154  13.104  11.701   0.675
 1087    HZ2  LYS 154           HZ2      LYS 154  13.719  11.333   2.157
 1088    HZ3  LYS 154           HZ3      LYS 154  14.727  11.465   0.864
  Start of MODEL   24
    1    H1   ALA   1           H1       ALA   1  13.547   0.243 -15.744
    2    H2   ALA   1           H2       ALA   1  13.792   1.647 -16.575
    3    H3   ALA   1           H3       ALA   1  12.289   1.248 -16.028
    4    HA   ALA   1           HA       ALA   1  14.643   1.943 -14.430
    5    HB1  ALA   1           HB1      ALA   1  11.962   3.373 -14.671
    6    HB2  ALA   1           HB2      ALA   1  13.324   3.861 -13.643
    7    HB3  ALA   1           HB3      ALA   1  13.486   3.899 -15.408
    8    H    SER   2           H        SER   2  14.531   1.708 -12.158
    9    HA   SER   2           HA       SER   2  12.301   0.140 -10.992
   10    HB2  SER   2           HB2      SER   2  15.112  -0.878 -10.696
   11    HB3  SER   2           HB3      SER   2  13.595  -1.739 -10.440
   12    HG   SER   2           HG       SER   2  13.397  -1.926 -12.741
   13    H    GLU   3           H        GLU   3  12.237   0.143  -8.768
   14    HA   GLU   3           HA       GLU   3  14.431   1.306  -7.283
   15    HB2  GLU   3           HB2      GLU   3  13.120   3.334  -7.907
   16    HB3  GLU   3           HB3      GLU   3  11.691   2.628  -7.118
   17    HG2  GLU   3           HG2      GLU   3  12.793   4.285  -5.680
   18    HG3  GLU   3           HG3      GLU   3  12.852   2.670  -4.944
   19    H    LYS   4           H        LYS   4  14.600   0.436  -5.379
   20    HA   LYS   4           HA       LYS   4  12.709  -1.745  -4.659
   21    HB2  LYS   4           HB2      LYS   4  14.516  -2.603  -3.246
   22    HB3  LYS   4           HB3      LYS   4  14.945  -2.443  -4.947
   23    HG2  LYS   4           HG2      LYS   4  16.249  -0.357  -4.414
   24    HG3  LYS   4           HG3      LYS   4  15.824  -0.556  -2.711
   25    HD2  LYS   4           HD2      LYS   4  18.004  -1.449  -2.894
   26    HD3  LYS   4           HD3      LYS   4  16.922  -2.830  -2.771
   27    HE2  LYS   4           HE2      LYS   4  18.246  -3.560  -4.508
   28    HE3  LYS   4           HE3      LYS   4  16.987  -2.741  -5.438
   29    HZ1  LYS   4           HZ1      LYS   4  19.698  -1.741  -4.784
   30    HZ2  LYS   4           HZ2      LYS   4  19.057  -2.036  -6.266
   31    HZ3  LYS   4           HZ3      LYS   4  18.548  -0.746  -5.408
   32    H    VAL   5           H        VAL   5  11.037  -1.306  -3.275
   33    HA   VAL   5           HA       VAL   5  11.223   1.172  -1.721
   34    HB   VAL   5           HB       VAL   5   8.894  -0.718  -2.223
   35   HG11  VAL   5          HG11      VAL   5   8.924   2.041  -0.900
   36   HG12  VAL   5          HG12      VAL   5   7.478   1.102  -1.314
   37   HG13  VAL   5          HG13      VAL   5   8.579   0.514  -0.068
   38   HG21  VAL   5          HG21      VAL   5   9.651   0.467  -4.240
   39   HG22  VAL   5          HG22      VAL   5   8.155   1.219  -3.668
   40   HG23  VAL   5          HG23      VAL   5   9.723   1.991  -3.346
   41    H    GLY   6           H        GLY   6  12.350   0.964  -0.004
   42    HA2  GLY   6           HA2      GLY   6  12.462  -1.096   1.943
   43    HA3  GLY   6           HA3      GLY   6  12.786   0.627   2.239
   44    H    MET   7           H        MET   7  10.724  -1.958   2.749
   45    HA   MET   7           HA       MET   7   8.544  -0.266   3.888
   46    HB2  MET   7           HB2      MET   7   8.579  -3.145   2.890
   47    HB3  MET   7           HB3      MET   7   7.251  -2.458   3.861
   48    HG2  MET   7           HG2      MET   7   6.961  -0.651   2.225
   49    HG3  MET   7           HG3      MET   7   8.216  -1.355   1.196
   50    HE1  MET   7           HE1      MET   7   5.934  -0.832  -0.457
   51    HE2  MET   7           HE2      MET   7   4.430  -1.766  -0.249
   52    HE3  MET   7           HE3      MET   7   4.916  -0.590   0.985
   53    H    ASN   8           H        ASN   8   7.692  -0.697   5.875
   54    HA   ASN   8           HA       ASN   8   9.339  -2.194   7.836
   55    HB2  ASN   8           HB2      ASN   8   9.799   0.372   7.306
   56    HB3  ASN   8           HB3      ASN   8   8.362   0.637   8.317
   57   HD21  ASN   8          HD21      ASN   8  11.750  -0.286   8.213
   58   HD22  ASN   8          HD22      ASN   8  11.887  -0.752   9.899
   59    H    LEU   9           H        LEU   9   8.279  -2.659   9.849
   60    HA   LEU   9           HA       LEU   9   5.416  -3.154   9.568
   61    HB2  LEU   9           HB2      LEU   9   7.399  -3.826  11.788
   62    HB3  LEU   9           HB3      LEU   9   5.725  -4.359  11.733
   63    HG   LEU   9           HG       LEU   9   7.904  -5.160   9.756
   64   HD11  LEU   9          HD11      LEU   9   6.465  -6.688  11.972
   65   HD12  LEU   9          HD12      LEU   9   7.520  -7.433  10.768
   66   HD13  LEU   9          HD13      LEU   9   8.189  -6.252  11.912
   67   HD21  LEU   9          HD21      LEU   9   5.788  -5.107   8.564
   68   HD22  LEU   9          HD22      LEU   9   6.169  -6.788   8.927
   69   HD23  LEU   9          HD23      LEU   9   4.962  -5.945   9.906
   70    H    VAL  10           H        VAL  10   5.152  -0.722   9.429
   71    HA   VAL  10           HA       VAL  10   5.194   0.813  11.835
   72    HB   VAL  10           HB       VAL  10   4.026   2.538  10.748
   73   HG11  VAL  10          HG11      VAL  10   5.576   1.193   8.494
   74   HG12  VAL  10          HG12      VAL  10   5.382   2.924   8.815
   75   HG13  VAL  10          HG13      VAL  10   6.352   1.934   9.903
   76   HG21  VAL  10          HG21      VAL  10   2.085   1.443   9.830
   77   HG22  VAL  10          HG22      VAL  10   2.905   2.266   8.517
   78   HG23  VAL  10          HG23      VAL  10   3.079   0.508   8.679
   79    H    THR  11           H        THR  11   3.618   1.418  13.285
   80    HA   THR  11           HA       THR  11   0.860   0.618  13.227
   81    HB   THR  11           HB       THR  11   1.467  -1.624  13.458
   82    HG1  THR  11           HG1      THR  11   0.898  -0.555  15.995
   83   HG21  THR  11          HG21      THR  11   3.290  -0.917  15.803
   84   HG22  THR  11          HG22      THR  11   2.825  -2.549  15.282
   85   HG23  THR  11          HG23      THR  11   3.792  -1.529  14.216
   86    H    ALA  12           H        ALA  12   1.102   2.935  13.632
   87    HA   ALA  12           HA       ALA  12   0.613   4.712  14.933
   88    HB1  ALA  12           HB1      ALA  12   0.209   2.743  17.223
   89    HB2  ALA  12           HB2      ALA  12  -0.486   4.357  17.037
   90    HB3  ALA  12           HB3      ALA  12  -0.990   3.065  15.946
   91    H    GLN  13           H        GLN  13   3.169   2.700  16.070
   92    HA   GLN  13           HA       GLN  13   4.619   4.629  17.703
   93    HB2  GLN  13           HB2      GLN  13   5.399   2.289  15.926
   94    HB3  GLN  13           HB3      GLN  13   6.563   3.163  16.946
   95    HG2  GLN  13           HG2      GLN  13   5.030   0.791  17.414
   96    HG3  GLN  13           HG3      GLN  13   6.364   1.487  18.350
   97   HE21  GLN  13          HE21      GLN  13   2.796   1.613  17.877
   98   HE22  GLN  13          HE22      GLN  13   2.534   2.308  19.474
   99    H    GLY  14           H        GLY  14   4.075   4.085  14.297
  100    HA2  GLY  14           HA2      GLY  14   4.898   5.320  12.387
  101    HA3  GLY  14           HA3      GLY  14   6.268   5.878  13.398
  102    H    VAL  15           H        VAL  15   7.468   5.056  11.582
  103    HA   VAL  15           HA       VAL  15   8.128   2.403  10.929
  104    HB   VAL  15           HB       VAL  15  10.038   4.706  11.506
  105   HG11  VAL  15          HG11      VAL  15  10.465   2.278   9.722
  106   HG12  VAL  15          HG12      VAL  15  11.614   3.593  10.004
  107   HG13  VAL  15          HG13      VAL  15  11.224   2.482  11.322
  108   HG21  VAL  15          HG21      VAL  15   8.377   5.302   9.753
  109   HG22  VAL  15          HG22      VAL  15   9.976   5.095   9.061
  110   HG23  VAL  15          HG23      VAL  15   8.757   3.813   8.877
  111    H    GLY  16           H        GLY  16   8.854   0.667  11.981
  112    HA2  GLY  16           HA2      GLY  16   9.772   0.874  14.845
  113    HA3  GLY  16           HA3      GLY  16   8.615  -0.337  14.242
  114    H    GLN  17           H        GLN  17   9.506  -1.722  12.344
  115    HA   GLN  17           HA       GLN  17  12.339  -2.054  12.138
  116    HB2  GLN  17           HB2      GLN  17  12.605  -4.305  12.870
  117    HB3  GLN  17           HB3      GLN  17  12.042  -3.361  14.235
  118    HG2  GLN  17           HG2      GLN  17  10.017  -4.473  14.368
  119    HG3  GLN  17           HG3      GLN  17   9.923  -4.797  12.627
  120   HE21  GLN  17          HE21      GLN  17  11.632  -6.478  11.719
  121   HE22  GLN  17          HE22      GLN  17  11.885  -7.815  12.838
  122    H    SER  18           H        SER  18  12.860  -3.796  10.449
  123    HA   SER  18           HA       SER  18  10.534  -4.123   8.596
  124    HB2  SER  18           HB2      SER  18  12.094  -2.508   7.720
  125    HB3  SER  18           HB3      SER  18  13.445  -3.631   7.933
  126    HG   SER  18           HG       SER  18  11.544  -3.417   5.946
  127    H    ILE  19           H        ILE  19  11.036  -5.815   6.964
  128    HA   ILE  19           HA       ILE  19  12.077  -8.402   7.932
  129    HB   ILE  19           HB       ILE  19   9.867  -9.519   7.623
  130   HG12  ILE  19          HG12      ILE  19   8.495  -6.820   7.874
  131   HG13  ILE  19          HG13      ILE  19   8.954  -7.435   6.274
  132   HG21  ILE  19          HG21      ILE  19   9.773  -7.465   9.854
  133   HG22  ILE  19          HG22      ILE  19   8.956  -9.032   9.796
  134   HG23  ILE  19          HG23      ILE  19  10.720  -8.968   9.880
  135   HD11  ILE  19          HD11      ILE  19   7.090  -8.822   8.214
  136   HD12  ILE  19          HD12      ILE  19   6.681  -8.031   6.681
  137   HD13  ILE  19          HD13      ILE  19   7.675  -9.502   6.669
  138    H    GLY  20           H        GLY  20  11.923  -6.300   5.477
  139    HA2  GLY  20           HA2      GLY  20  12.327  -7.712   3.170
  140    HA3  GLY  20           HA3      GLY  20  10.588  -7.872   3.420
  141    H    THR  21           H        THR  21  11.735  -6.661   1.210
  142    HA   THR  21           HA       THR  21  10.582  -3.898   1.291
  143    HB   THR  21           HB       THR  21  12.312  -3.097  -0.190
  144    HG1  THR  21           HG1      THR  21  14.133  -4.486  -0.523
  145   HG21  THR  21          HG21      THR  21  13.838  -4.505   2.029
  146   HG22  THR  21          HG22      THR  21  14.118  -2.904   1.315
  147   HG23  THR  21          HG23      THR  21  12.725  -3.181   2.383
  148    H    VAL  22           H        VAL  22  10.239  -3.362  -1.146
  149    HA   VAL  22           HA       VAL  22   9.455  -5.789  -2.687
  150    HB   VAL  22           HB       VAL  22   7.689  -3.307  -2.518
  151   HG11  VAL  22          HG11      VAL  22   7.661  -5.855  -4.170
  152   HG12  VAL  22          HG12      VAL  22   6.201  -4.975  -3.886
  153   HG13  VAL  22          HG13      VAL  22   7.535  -4.180  -4.737
  154   HG21  VAL  22          HG21      VAL  22   7.418  -4.691  -0.492
  155   HG22  VAL  22          HG22      VAL  22   5.988  -4.792  -1.524
  156   HG23  VAL  22          HG23      VAL  22   7.154  -6.129  -1.497
  157    H    VAL  23           H        VAL  23  10.503  -5.745  -4.594
  158    HA   VAL  23           HA       VAL  23  11.605  -3.222  -5.587
  159    HB   VAL  23           HB       VAL  23  12.749  -5.303  -5.946
  160   HG11  VAL  23          HG11      VAL  23  10.647  -6.133  -7.894
  161   HG12  VAL  23          HG12      VAL  23  12.266  -6.842  -7.735
  162   HG13  VAL  23          HG13      VAL  23  11.177  -6.908  -6.357
  163   HG21  VAL  23          HG21      VAL  23  13.174  -3.282  -7.361
  164   HG22  VAL  23          HG22      VAL  23  13.537  -4.794  -8.210
  165   HG23  VAL  23          HG23      VAL  23  12.034  -3.922  -8.566
  166    H    ILE  24           H        ILE  24  10.659  -1.722  -6.766
  167    HA   ILE  24           HA       ILE  24   8.262  -2.434  -8.405
  168    HB   ILE  24           HB       ILE  24   9.267   0.336  -7.623
  169   HG12  ILE  24          HG12      ILE  24   7.048  -1.414  -6.529
  170   HG13  ILE  24          HG13      ILE  24   8.173  -0.612  -5.584
  171   HG21  ILE  24          HG21      ILE  24   6.758  -0.595  -9.121
  172   HG22  ILE  24          HG22      ILE  24   7.208   1.095  -8.789
  173   HG23  ILE  24          HG23      ILE  24   8.172   0.157  -9.891
  174   HD11  ILE  24          HD11      ILE  24   5.816   0.620  -6.912
  175   HD12  ILE  24          HD12      ILE  24   6.425   0.703  -5.249
  176   HD13  ILE  24          HD13      ILE  24   7.249   1.624  -6.502
  177    H    ASP  25           H        ASP  25   8.547  -2.617 -10.494
  178    HA   ASP  25           HA       ASP  25  10.835  -1.302 -11.874
  179    HB2  ASP  25           HB2      ASP  25  11.485  -3.517 -11.253
  180    HB3  ASP  25           HB3      ASP  25  10.015  -4.238 -11.959
  181    H    GLU  26           H        GLU  26  10.109  -0.228 -13.597
  182    HA   GLU  26           HA       GLU  26   7.185  -0.494 -14.122
  183    HB2  GLU  26           HB2      GLU  26   7.178   1.687 -15.100
  184    HB3  GLU  26           HB3      GLU  26   7.835   1.665 -13.455
  185    HG2  GLU  26           HG2      GLU  26   9.057   3.232 -14.773
  186    HG3  GLU  26           HG3      GLU  26  10.109   1.912 -14.311
  187    H    THR  27           H        THR  27   6.145  -0.644 -16.148
  188    HA   THR  27           HA       THR  27   7.792  -1.037 -18.546
  189    HB   THR  27           HB       THR  27   8.067  -3.182 -17.506
  190    HG1  THR  27           HG1      THR  27   7.471  -4.372 -19.165
  191   HG21  THR  27          HG21      THR  27   5.038  -3.336 -17.312
  192   HG22  THR  27          HG22      THR  27   6.126  -4.735 -17.165
  193   HG23  THR  27          HG23      THR  27   6.224  -3.426 -15.992
  194    H    GLU  28           H        GLU  28   6.189  -1.938 -20.299
  195    HA   GLU  28           HA       GLU  28   4.269   0.148 -20.821
  196    HB2  GLU  28           HB2      GLU  28   5.566  -1.152 -22.485
  197    HB3  GLU  28           HB3      GLU  28   4.621  -2.602 -22.079
  198    HG2  GLU  28           HG2      GLU  28   2.564  -1.465 -22.887
  199    HG3  GLU  28           HG3      GLU  28   3.495   0.004 -23.221
  200    H    GLY  29           H        GLY  29   4.063  -3.040 -19.359
  201    HA2  GLY  29           HA2      GLY  29   1.162  -2.817 -18.862
  202    HA3  GLY  29           HA3      GLY  29   2.210  -4.193 -18.382
  203    H    GLY  30           H        GLY  30   3.381  -1.110 -17.649
  204    HA2  GLY  30           HA2      GLY  30   3.090   0.450 -15.918
  205    HA3  GLY  30           HA3      GLY  30   1.916  -0.628 -15.185
  206    H    LEU  31           H        LEU  31   2.567  -0.370 -13.123
  207    HA   LEU  31           HA       LEU  31   5.411  -0.726 -12.418
  208    HB2  LEU  31           HB2      LEU  31   2.940  -0.300 -10.684
  209    HB3  LEU  31           HB3      LEU  31   4.609  -0.381 -10.095
  210    HG   LEU  31           HG       LEU  31   3.382   1.774 -11.856
  211   HD11  LEU  31          HD11      LEU  31   4.620   1.850  -9.064
  212   HD12  LEU  31          HD12      LEU  31   3.862   3.204  -9.930
  213   HD13  LEU  31          HD13      LEU  31   2.879   1.824  -9.408
  214   HD21  LEU  31          HD21      LEU  31   5.617   1.542 -12.685
  215   HD22  LEU  31          HD22      LEU  31   5.641   2.907 -11.560
  216   HD23  LEU  31          HD23      LEU  31   6.281   1.340 -11.045
  217    H    LYS  32           H        LYS  32   6.133  -2.745 -12.718
  218    HA   LYS  32           HA       LYS  32   4.727  -5.118 -11.761
  219    HB2  LYS  32           HB2      LYS  32   6.369  -4.906 -13.741
  220    HB3  LYS  32           HB3      LYS  32   7.642  -4.819 -12.527
  221    HG2  LYS  32           HG2      LYS  32   6.636  -7.077 -11.628
  222    HG3  LYS  32           HG3      LYS  32   5.769  -7.100 -13.180
  223    HD2  LYS  32           HD2      LYS  32   7.763  -8.331 -13.576
  224    HD3  LYS  32           HD3      LYS  32   8.038  -6.742 -14.309
  225    HE2  LYS  32           HE2      LYS  32   9.098  -6.143 -11.954
  226    HE3  LYS  32           HE3      LYS  32   9.134  -7.907 -11.723
  227    HZ1  LYS  32           HZ1      LYS  32  10.343  -7.791 -14.050
  228    HZ2  LYS  32           HZ2      LYS  32  10.596  -6.227 -13.693
  229    HZ3  LYS  32           HZ3      LYS  32  11.216  -7.366 -12.720
  230    H    PHE  33           H        PHE  33   4.542  -5.484  -9.721
  231    HA   PHE  33           HA       PHE  33   6.382  -4.477  -7.625
  232    HB2  PHE  33           HB2      PHE  33   3.714  -4.193  -7.901
  233    HB3  PHE  33           HB3      PHE  33   3.668  -5.815  -7.208
  234    HD1  PHE  33           HD1      PHE  33   5.351  -2.545  -6.701
  235    HD2  PHE  33           HD2      PHE  33   3.212  -5.771  -4.863
  236    HE1  PHE  33           HE1      PHE  33   5.568  -1.400  -4.480
  237    HE2  PHE  33           HE2      PHE  33   3.323  -4.584  -2.674
  238    HZ   PHE  33           HZ       PHE  33   4.551  -2.450  -2.468
  239    H    THR  34           H        THR  34   8.054  -6.048  -7.132
  240    HA   THR  34           HA       THR  34   7.091  -8.920  -7.143
  241    HB   THR  34           HB       THR  34   9.987  -8.231  -7.409
  242    HG1  THR  34           HG1      THR  34   8.749  -7.373  -9.119
  243   HG21  THR  34          HG21      THR  34   8.314 -10.703  -7.991
  244   HG22  THR  34          HG22      THR  34  10.053 -10.522  -8.306
  245   HG23  THR  34          HG23      THR  34   9.447 -10.488  -6.642
  246    HA   PRO  35           HA       PRO  35   7.636  -7.723  -2.857
  247    HB2  PRO  35           HB2      PRO  35   6.062  -9.588  -1.644
  248    HB3  PRO  35           HB3      PRO  35   5.366  -8.249  -2.621
  249    HG2  PRO  35           HG2      PRO  35   5.925 -11.109  -3.478
  250    HG3  PRO  35           HG3      PRO  35   4.428 -10.150  -3.729
  251    HD2  PRO  35           HD2      PRO  35   6.379 -10.414  -5.649
  252    HD3  PRO  35           HD3      PRO  35   5.402  -8.919  -5.467
  253    H    HIS  36           H        HIS  36   8.860  -8.415  -1.078
  254    HA   HIS  36           HA       HIS  36   9.738 -11.195  -0.915
  255    HB2  HIS  36           HB2      HIS  36  12.165 -10.608  -1.013
  256    HB3  HIS  36           HB3      HIS  36  11.278 -10.584  -2.533
  257    HD1  HIS  36           HD1      HIS  36  14.001  -8.856  -1.317
  258    HD2  HIS  36           HD2      HIS  36  10.377  -7.751  -3.035
  259    HE1  HIS  36           HE1      HIS  36  14.415  -6.567  -2.375
  260    H    LEU  37           H        LEU  37   8.183 -10.552   0.830
  261    HA   LEU  37           HA       LEU  37   9.661  -9.806   3.318
  262    HB2  LEU  37           HB2      LEU  37   6.687  -9.485   2.821
  263    HB3  LEU  37           HB3      LEU  37   7.661  -8.878   4.174
  264    HG   LEU  37           HG       LEU  37   8.829  -7.657   1.904
  265   HD11  LEU  37          HD11      LEU  37   5.781  -7.659   1.650
  266   HD12  LEU  37          HD12      LEU  37   6.893  -6.608   0.765
  267   HD13  LEU  37          HD13      LEU  37   6.930  -8.358   0.485
  268   HD21  LEU  37          HD21      LEU  37   8.489  -6.663   4.083
  269   HD22  LEU  37          HD22      LEU  37   7.842  -5.620   2.801
  270   HD23  LEU  37          HD23      LEU  37   6.729  -6.591   3.806
  271    H    LYS  38           H        LYS  38   9.412 -11.134   5.054
  272    HA   LYS  38           HA       LYS  38   8.250 -13.811   4.533
  273    HB2  LYS  38           HB2      LYS  38  10.920 -12.829   5.634
  274    HB3  LYS  38           HB3      LYS  38  10.457 -14.524   5.660
  275    HG2  LYS  38           HG2      LYS  38  10.956 -14.892   3.599
  276    HG3  LYS  38           HG3      LYS  38  10.075 -13.503   2.962
  277    HD2  LYS  38           HD2      LYS  38  12.843 -13.298   4.221
  278    HD3  LYS  38           HD3      LYS  38  12.543 -13.575   2.484
  279    HE2  LYS  38           HE2      LYS  38  10.931 -11.591   2.598
  280    HE3  LYS  38           HE3      LYS  38  11.619 -11.200   4.167
  281    HZ1  LYS  38           HZ1      LYS  38  13.225 -11.515   1.672
  282    HZ2  LYS  38           HZ2      LYS  38  12.642 -10.079   2.178
  283    HZ3  LYS  38           HZ3      LYS  38  13.773 -10.890   3.098
  284    H    ALA  39           H        ALA  39   7.062 -11.828   6.452
  285    HA   ALA  39           HA       ALA  39   6.895 -13.698   8.772
  286    HB1  ALA  39           HB1      ALA  39   7.655 -10.781   9.105
  287    HB2  ALA  39           HB2      ALA  39   7.494 -11.992  10.387
  288    HB3  ALA  39           HB3      ALA  39   8.796 -12.140   9.190
  289    H    LEU  40           H        LEU  40   4.908 -12.821   6.711
  290    HA   LEU  40           HA       LEU  40   3.054 -11.134   8.331
  291    HB2  LEU  40           HB2      LEU  40   1.901 -11.764   5.755
  292    HB3  LEU  40           HB3      LEU  40   2.268 -10.253   6.507
  293    HG   LEU  40           HG       LEU  40   4.124 -12.061   4.864
  294   HD11  LEU  40          HD11      LEU  40   3.097  -9.387   3.853
  295   HD12  LEU  40          HD12      LEU  40   4.097 -10.603   3.009
  296   HD13  LEU  40          HD13      LEU  40   2.403 -10.944   3.431
  297   HD21  LEU  40          HD21      LEU  40   5.703 -10.486   4.588
  298   HD22  LEU  40          HD22      LEU  40   4.727  -9.151   5.300
  299   HD23  LEU  40          HD23      LEU  40   5.418 -10.415   6.334
  300    HA   PRO  41           HA       PRO  41   0.338 -14.480   8.695
  301    HB2  PRO  41           HB2      PRO  41  -2.238 -13.448   8.422
  302    HB3  PRO  41           HB3      PRO  41  -1.243 -13.313   9.886
  303    HG2  PRO  41           HG2      PRO  41  -1.499 -11.338   7.652
  304    HG3  PRO  41           HG3      PRO  41  -1.644 -11.026   9.414
  305    HD2  PRO  41           HD2      PRO  41   0.712 -10.562   8.185
  306    HD3  PRO  41           HD3      PRO  41   0.614 -11.436   9.762
  307    HA   PRO  42           HA       PRO  42   0.946 -15.483   4.729
  308    HB2  PRO  42           HB2      PRO  42   0.765 -18.153   4.765
  309    HB3  PRO  42           HB3      PRO  42   1.581 -17.296   6.097
  310    HG2  PRO  42           HG2      PRO  42  -1.331 -18.116   6.047
  311    HG3  PRO  42           HG3      PRO  42  -0.089 -18.665   7.208
  312    HD2  PRO  42           HD2      PRO  42  -1.587 -16.467   7.782
  313    HD3  PRO  42           HD3      PRO  42   0.168 -16.509   8.152
  314    H    GLY  43           H        GLY  43  -1.704 -14.425   4.793
  315    HA2  GLY  43           HA2      GLY  43  -3.308 -15.993   2.812
  316    HA3  GLY  43           HA3      GLY  43  -3.875 -14.642   3.807
  317    H    GLU  44           H        GLU  44  -4.386 -13.129   2.720
  318    HA   GLU  44           HA       GLU  44  -2.766 -11.989   0.482
  319    HB2  GLU  44           HB2      GLU  44  -5.795 -11.916   0.385
  320    HB3  GLU  44           HB3      GLU  44  -4.630 -11.542  -0.866
  321    HG2  GLU  44           HG2      GLU  44  -5.582 -13.568  -1.517
  322    HG3  GLU  44           HG3      GLU  44  -3.978 -14.008  -0.889
  323    H    HIS  45           H        HIS  45  -2.638  -9.815   0.443
  324    HA   HIS  45           HA       HIS  45  -4.085  -8.206   2.516
  325    HB2  HIS  45           HB2      HIS  45  -1.082  -8.546   1.960
  326    HB3  HIS  45           HB3      HIS  45  -1.693  -7.081   2.725
  327    HD1  HIS  45           HD1      HIS  45  -3.541  -8.029   4.951
  328    HD2  HIS  45           HD2      HIS  45  -0.787 -10.646   3.231
  329    HE1  HIS  45           HE1      HIS  45  -3.508 -10.114   6.430
  330    HE2  HIS  45           HE2      HIS  45  -1.762 -11.705   5.420
  331    H    GLY  46           H        GLY  46  -4.582  -6.059   2.024
  332    HA2  GLY  46           HA2      GLY  46  -4.766  -5.172  -0.664
  333    HA3  GLY  46           HA3      GLY  46  -4.828  -4.147   0.778
  334    H    PHE  47           H        PHE  47  -3.508  -3.526  -1.803
  335    HA   PHE  47           HA       PHE  47  -1.087  -2.405  -0.547
  336    HB2  PHE  47           HB2      PHE  47   0.062  -4.108  -1.597
  337    HB3  PHE  47           HB3      PHE  47  -1.126  -4.255  -2.898
  338    HD1  PHE  47           HD1      PHE  47   1.093  -1.366  -1.803
  339    HD2  PHE  47           HD2      PHE  47   0.013  -4.176  -4.881
  340    HE1  PHE  47           HE1      PHE  47   2.647  -0.215  -3.423
  341    HE2  PHE  47           HE2      PHE  47   1.547  -3.005  -6.492
  342    HZ   PHE  47           HZ       PHE  47   2.769  -0.997  -5.784
  343    H    HIS  48           H        HIS  48  -1.515  -0.254  -0.660
  344    HA   HIS  48           HA       HIS  48  -2.036   0.714  -3.477
  345    HB2  HIS  48           HB2      HIS  48  -2.969   2.522  -1.293
  346    HB3  HIS  48           HB3      HIS  48  -3.539   2.355  -2.939
  347    HD2  HIS  48           HD2      HIS  48  -4.902  -0.322  -3.177
  348    HE1  HIS  48           HE1      HIS  48  -6.591   0.153   0.700
  349    HE2  HIS  48           HE2      HIS  48  -6.776  -1.071  -1.528
  350    H    ILE  49           H        ILE  49  -1.454   2.897  -3.977
  351    HA   ILE  49           HA       ILE  49   0.901   4.067  -2.529
  352    HB   ILE  49           HB       ILE  49  -0.424   4.853  -5.150
  353   HG12  ILE  49          HG12      ILE  49   2.403   3.825  -5.131
  354   HG13  ILE  49          HG13      ILE  49   1.131   2.608  -4.941
  355   HG21  ILE  49          HG21      ILE  49   2.155   5.859  -3.865
  356   HG22  ILE  49          HG22      ILE  49   1.595   6.286  -5.492
  357   HG23  ILE  49          HG23      ILE  49   0.663   6.790  -4.082
  358   HD11  ILE  49          HD11      ILE  49   1.190   4.645  -7.212
  359   HD12  ILE  49          HD12      ILE  49   1.780   2.974  -7.310
  360   HD13  ILE  49          HD13      ILE  49   0.064   3.288  -7.009
  361    H    HIS  50           H        HIS  50   0.757   6.097  -1.624
  362    HA   HIS  50           HA       HIS  50  -1.931   7.337  -1.229
  363    HB2  HIS  50           HB2      HIS  50   0.060   6.403   0.857
  364    HB3  HIS  50           HB3      HIS  50  -0.988   7.782   1.157
  365    HD1  HIS  50           HD1      HIS  50  -2.972   7.177   2.494
  366    HD2  HIS  50           HD2      HIS  50  -1.763   4.147  -0.124
  367    HE1  HIS  50           HE1      HIS  50  -4.605   5.231   2.886
  368    H    ALA  51           H        ALA  51  -1.623   9.535  -0.143
  369    HA   ALA  51           HA       ALA  51  -0.423  10.966  -2.287
  370    HB1  ALA  51           HB1      ALA  51  -1.784  12.034   0.236
  371    HB2  ALA  51           HB2      ALA  51  -1.630  12.877  -1.316
  372    HB3  ALA  51           HB3      ALA  51  -2.655  11.433  -1.185
  373    H    ASN  52           H        ASN  52   0.789  10.638   0.991
  374    HA   ASN  52           HA       ASN  52   2.764  12.840   0.493
  375    HB2  ASN  52           HB2      ASN  52   1.699  11.877   3.160
  376    HB3  ASN  52           HB3      ASN  52   2.847  13.182   2.911
  377   HD21  ASN  52          HD21      ASN  52   0.090  13.149   4.164
  378   HD22  ASN  52          HD22      ASN  52  -0.757  14.415   3.302
  379    H    GLY  53           H        GLY  53   4.345  11.988   2.856
  380    HA2  GLY  53           HA2      GLY  53   6.157  10.594   1.025
  381    HA3  GLY  53           HA3      GLY  53   6.576  11.551   2.456
  382    H    SER  54           H        SER  54   4.879   9.796   4.302
  383    HA   SER  54           HA       SER  54   5.883   7.093   4.241
  384    HB2  SER  54           HB2      SER  54   7.636   7.409   6.086
  385    HB3  SER  54           HB3      SER  54   8.130   7.881   4.467
  386    HG   SER  54           HG       SER  54   7.020   9.680   6.374
  387    H    CYS  55           H        CYS  55   4.957   5.874   5.853
  388    HA   CYS  55           HA       CYS  55   3.016   6.876   7.501
  389    HB2  CYS  55           HB2      CYS  55   4.533   4.267   7.338
  390    HB3  CYS  55           HB3      CYS  55   3.182   4.478   8.421
  391    H    GLN  56           H        GLN  56   4.472   8.597   8.600
  392    HA   GLN  56           HA       GLN  56   5.033   7.582  11.349
  393    HB2  GLN  56           HB2      GLN  56   5.488  10.355  10.188
  394    HB3  GLN  56           HB3      GLN  56   5.756   9.924  11.869
  395    HG2  GLN  56           HG2      GLN  56   7.233   8.718   9.486
  396    HG3  GLN  56           HG3      GLN  56   7.855   9.938  10.586
  397   HE21  GLN  56          HE21      GLN  56   8.900   9.186  12.557
  398   HE22  GLN  56          HE22      GLN  56   8.893   7.484  12.960
  399    HA   PRO  57           HA       PRO  57   0.975   8.482  12.523
  400    HB2  PRO  57           HB2      PRO  57   1.099   8.234  15.203
  401    HB3  PRO  57           HB3      PRO  57   1.690   6.928  14.131
  402    HG2  PRO  57           HG2      PRO  57   3.325   9.076  15.515
  403    HG3  PRO  57           HG3      PRO  57   3.619   7.303  15.463
  404    HD2  PRO  57           HD2      PRO  57   4.803   9.110  13.742
  405    HD3  PRO  57           HD3      PRO  57   4.483   7.400  13.344
  406    H    ALA  58           H        ALA  58  -0.442   9.721  14.170
  407    HA   ALA  58           HA       ALA  58   0.545  12.395  14.930
  408    HB1  ALA  58           HB1      ALA  58  -1.943  11.947  13.207
  409    HB2  ALA  58           HB2      ALA  58  -1.437  13.498  13.913
  410    HB3  ALA  58           HB3      ALA  58  -0.430  12.717  12.680
  411    H    ILE  59           H        ILE  59  -0.613  13.288  16.728
  412    HA   ILE  59           HA       ILE  59  -2.144  11.241  18.286
  413    HB   ILE  59           HB       ILE  59  -0.792  13.764  19.301
  414   HG12  ILE  59          HG12      ILE  59   1.011  12.453  18.407
  415   HG13  ILE  59          HG13      ILE  59   1.033  12.347  20.154
  416   HG21  ILE  59          HG21      ILE  59  -1.887  11.290  20.709
  417   HG22  ILE  59          HG22      ILE  59  -0.930  12.564  21.496
  418   HG23  ILE  59          HG23      ILE  59  -2.507  12.949  20.808
  419   HD11  ILE  59          HD11      ILE  59   0.042  10.184  18.244
  420   HD12  ILE  59          HD12      ILE  59   1.546  10.180  19.174
  421   HD13  ILE  59          HD13      ILE  59  -0.005  10.069  20.022
  422    H    LYS  60           H        LYS  60  -4.211  11.479  18.696
  423    HA   LYS  60           HA       LYS  60  -5.514  13.951  19.362
  424    HB2  LYS  60           HB2      LYS  60  -6.080  12.718  16.629
  425    HB3  LYS  60           HB3      LYS  60  -7.381  13.446  17.545
  426    HG2  LYS  60           HG2      LYS  60  -6.879  15.385  16.634
  427    HG3  LYS  60           HG3      LYS  60  -5.507  15.442  17.718
  428    HD2  LYS  60           HD2      LYS  60  -4.254  14.148  15.760
  429    HD3  LYS  60           HD3      LYS  60  -5.627  14.636  14.786
  430    HE2  LYS  60           HE2      LYS  60  -3.745  16.192  14.519
  431    HE3  LYS  60           HE3      LYS  60  -5.146  17.018  15.211
  432    HZ1  LYS  60           HZ1      LYS  60  -3.041  15.935  16.981
  433    HZ2  LYS  60           HZ2      LYS  60  -2.886  17.452  16.313
  434    HZ3  LYS  60           HZ3      LYS  60  -4.128  17.086  17.300
  435    H    ASP  61           H        ASP  61  -7.686  13.575  20.201
  436    HA   ASP  61           HA       ASP  61  -9.224  12.438  21.446
  437    HB2  ASP  61           HB2      ASP  61  -9.826  12.253  19.017
  438    HB3  ASP  61           HB3      ASP  61  -9.165  10.618  19.016
  439    H    GLY  62           H        GLY  62  -6.725  11.645  22.464
  440    HA2  GLY  62           HA2      GLY  62  -5.938  10.108  24.024
  441    HA3  GLY  62           HA3      GLY  62  -7.464   9.215  23.843
  442    H    GLN  63           H        GLN  63  -5.710   9.660  20.875
  443    HA   GLN  63           HA       GLN  63  -4.282   7.089  21.126
  444    HB2  GLN  63           HB2      GLN  63  -5.393   6.267  18.996
  445    HB3  GLN  63           HB3      GLN  63  -6.296   6.239  20.484
  446    HG2  GLN  63           HG2      GLN  63  -7.930   6.917  19.072
  447    HG3  GLN  63           HG3      GLN  63  -7.397   8.484  19.624
  448   HE21  GLN  63          HE21      GLN  63  -5.449   9.379  18.017
  449   HE22  GLN  63          HE22      GLN  63  -5.898   9.163  16.315
  450    H    ALA  64           H        ALA  64  -2.863   6.546  19.440
  451    HA   ALA  64           HA       ALA  64  -1.856   8.826  17.825
  452    HB1  ALA  64           HB1      ALA  64  -0.665   6.097  18.482
  453    HB2  ALA  64           HB2      ALA  64   0.082   7.312  17.427
  454    HB3  ALA  64           HB3      ALA  64  -0.157   7.656  19.152
  455    H    VAL  65           H        VAL  65  -2.602   8.951  15.838
  456    HA   VAL  65           HA       VAL  65  -4.211   7.017  14.436
  457    HB   VAL  65           HB       VAL  65  -2.553   9.373  13.429
  458   HG11  VAL  65          HG11      VAL  65  -4.582   7.661  11.934
  459   HG12  VAL  65          HG12      VAL  65  -4.003   9.241  11.371
  460   HG13  VAL  65          HG13      VAL  65  -2.870   7.897  11.524
  461   HG21  VAL  65          HG21      VAL  65  -4.410  10.020  14.937
  462   HG22  VAL  65          HG22      VAL  65  -4.755  10.512  13.277
  463   HG23  VAL  65          HG23      VAL  65  -5.550   9.074  13.955
  464    H    ALA  66           H        ALA  66  -3.632   5.287  13.263
  465    HA   ALA  66           HA       ALA  66  -1.327   3.886  13.636
  466    HB1  ALA  66           HB1      ALA  66  -3.140   3.802  11.184
  467    HB2  ALA  66           HB2      ALA  66  -2.038   2.509  11.702
  468    HB3  ALA  66           HB3      ALA  66  -3.416   2.962  12.725
  469    H    ALA  67           H        ALA  67  -1.801   6.158  11.005
  470    HA   ALA  67           HA       ALA  67   0.863   7.000  10.732
  471    HB1  ALA  67           HB1      ALA  67   0.004   4.841   8.765
  472    HB2  ALA  67           HB2      ALA  67   1.253   6.027   8.400
  473    HB3  ALA  67           HB3      ALA  67   1.476   4.905   9.755
  474    H    GLU  68           H        GLU  68   0.604   9.047   9.964
  475    HA   GLU  68           HA       GLU  68  -1.656   9.667   8.073
  476    HB2  GLU  68           HB2      GLU  68  -2.206  10.500  10.277
  477    HB3  GLU  68           HB3      GLU  68  -0.618  11.228  10.455
  478    HG2  GLU  68           HG2      GLU  68  -2.274  12.934  10.059
  479    HG3  GLU  68           HG3      GLU  68  -1.125  12.904   8.736
  480    H    ALA  69           H        ALA  69   1.797  10.300   8.897
  481    HA   ALA  69           HA       ALA  69   2.086  12.361   6.899
  482    HB1  ALA  69           HB1      ALA  69   4.109  10.633   8.361
  483    HB2  ALA  69           HB2      ALA  69   4.514  12.044   7.360
  484    HB3  ALA  69           HB3      ALA  69   3.538  12.245   8.829
  485    H    ALA  70           H        ALA  70   1.423   9.198   6.340
  486    HA   ALA  70           HA       ALA  70   2.715   9.030   3.669
  487    HB1  ALA  70           HB1      ALA  70   0.821   7.221   5.226
  488    HB2  ALA  70           HB2      ALA  70   1.423   6.877   3.590
  489    HB3  ALA  70           HB3      ALA  70   2.555   6.971   4.940
  490    H    GLY  71           H        GLY  71  -0.204  10.285   5.121
  491    HA2  GLY  71           HA2      GLY  71  -1.769  11.653   4.161
  492    HA3  GLY  71           HA3      GLY  71  -1.103  11.309   2.547
  493    H    GLY  72           H        GLY  72  -3.605  11.597   2.458
  494    HA2  GLY  72           HA2      GLY  72  -5.225   9.236   2.958
  495    HA3  GLY  72           HA3      GLY  72  -5.663  10.659   1.989
  496    H    HIS  73           H        HIS  73  -6.652   8.805   0.812
  497    HA   HIS  73           HA       HIS  73  -5.092   6.902  -0.625
  498    HB2  HIS  73           HB2      HIS  73  -7.887   7.461  -0.144
  499    HB3  HIS  73           HB3      HIS  73  -7.706   7.172  -1.848
  500    HD2  HIS  73           HD2      HIS  73  -6.517   5.528   1.457
  501    HE1  HIS  73           HE1      HIS  73  -7.586   2.314  -1.096
  502    HE2  HIS  73           HE2      HIS  73  -6.706   2.960   1.193
  503    H    LEU  74           H        LEU  74  -4.340   9.786  -1.285
  504    HA   LEU  74           HA       LEU  74  -3.668  11.000  -3.108
  505    HB2  LEU  74           HB2      LEU  74  -2.159   9.104  -3.152
  506    HB3  LEU  74           HB3      LEU  74  -3.262   8.160  -4.126
  507    HG   LEU  74           HG       LEU  74  -2.838   9.509  -6.082
  508   HD11  LEU  74          HD11      LEU  74  -1.128  11.332  -4.332
  509   HD12  LEU  74          HD12      LEU  74  -1.260  11.407  -6.100
  510   HD13  LEU  74          HD13      LEU  74  -2.670  11.768  -5.102
  511   HD21  LEU  74          HD21      LEU  74  -1.219   7.745  -5.509
  512   HD22  LEU  74          HD22      LEU  74  -0.460   9.075  -6.393
  513   HD23  LEU  74          HD23      LEU  74  -0.228   8.938  -4.638
  514    H    ASP  75           H        ASP  75  -6.222  11.229  -2.849
  515    HA   ASP  75           HA       ASP  75  -7.268  11.339  -5.619
  516    HB2  ASP  75           HB2      ASP  75  -7.878   9.125  -4.664
  517    HB3  ASP  75           HB3      ASP  75  -8.794   9.935  -3.405
  518    HA   PRO  76           HA       PRO  76  -9.074  14.943  -3.502
  519    HB2  PRO  76           HB2      PRO  76  -8.846  16.781  -5.454
  520    HB3  PRO  76           HB3      PRO  76  -7.401  16.165  -4.600
  521    HG2  PRO  76           HG2      PRO  76  -8.489  15.265  -7.292
  522    HG3  PRO  76           HG3      PRO  76  -6.804  15.709  -6.872
  523    HD2  PRO  76           HD2      PRO  76  -7.764  13.105  -6.886
  524    HD3  PRO  76           HD3      PRO  76  -6.426  13.653  -5.832
  525    H    GLN  77           H        GLN  77 -10.247  13.124  -6.298
  526    HA   GLN  77           HA       GLN  77 -12.899  14.367  -6.209
  527    HB2  GLN  77           HB2      GLN  77 -11.110  14.883  -8.631
  528    HB3  GLN  77           HB3      GLN  77 -12.844  15.189  -8.561
  529    HG2  GLN  77           HG2      GLN  77 -12.395  16.799  -6.641
  530    HG3  GLN  77           HG3      GLN  77 -10.674  16.664  -7.051
  531   HE21  GLN  77          HE21      GLN  77 -10.930  16.663  -9.983
  532   HE22  GLN  77          HE22      GLN  77 -11.483  18.270 -10.378
  533    H    ASN  78           H        ASN  78 -10.839  11.794  -7.471
  534    HA   ASN  78           HA       ASN  78 -12.509  10.990  -9.661
  535    HB2  ASN  78           HB2      ASN  78 -10.608   9.240  -8.046
  536    HB3  ASN  78           HB3      ASN  78 -11.192   8.959  -9.675
  537   HD21  ASN  78          HD21      ASN  78  -9.012  10.955  -7.703
  538   HD22  ASN  78          HD22      ASN  78  -8.007  11.443  -9.082
  539    H    THR  79           H        THR  79 -12.393  10.109  -6.281
  540    HA   THR  79           HA       THR  79 -15.133   9.181  -6.080
  541    HB   THR  79           HB       THR  79 -14.328   7.182  -7.076
  542    HG1  THR  79           HG1      THR  79 -15.445   6.211  -5.698
  543   HG21  THR  79          HG21      THR  79 -12.128   7.065  -4.989
  544   HG22  THR  79          HG22      THR  79 -12.593   5.749  -6.081
  545   HG23  THR  79          HG23      THR  79 -11.923   7.246  -6.742
  546    H    GLY  80           H        GLY  80 -11.945   9.599  -4.638
  547    HA2  GLY  80           HA2      GLY  80 -11.478  10.775  -2.645
  548    HA3  GLY  80           HA3      GLY  80 -13.174  10.579  -2.113
  549    H    LYS  81           H        LYS  81 -11.810   7.758  -3.377
  550    HA   LYS  81           HA       LYS  81 -10.829   6.498  -0.975
  551    HB2  LYS  81           HB2      LYS  81 -12.844   5.003  -0.642
  552    HB3  LYS  81           HB3      LYS  81 -12.944   6.654  -0.066
  553    HG2  LYS  81           HG2      LYS  81 -14.301   7.311  -2.024
  554    HG3  LYS  81           HG3      LYS  81 -14.258   5.656  -2.636
  555    HD2  LYS  81           HD2      LYS  81 -15.355   6.424   0.105
  556    HD3  LYS  81           HD3      LYS  81 -16.343   6.381  -1.360
  557    HE2  LYS  81           HE2      LYS  81 -15.968   4.022  -1.681
  558    HE3  LYS  81           HE3      LYS  81 -14.757   3.959  -0.399
  559    HZ1  LYS  81           HZ1      LYS  81 -17.581   4.694   0.119
  560    HZ2  LYS  81           HZ2      LYS  81 -16.976   3.152   0.270
  561    HZ3  LYS  81           HZ3      LYS  81 -16.447   4.375   1.225
  562    H    HIS  82           H        HIS  82 -12.917   4.532  -3.070
  563    HA   HIS  82           HA       HIS  82 -10.581   3.387  -4.375
  564    HB2  HIS  82           HB2      HIS  82 -10.703   2.781  -1.731
  565    HB3  HIS  82           HB3      HIS  82 -11.788   1.533  -2.326
  566    HD2  HIS  82           HD2      HIS  82 -10.517  -0.625  -2.975
  567    HE1  HIS  82           HE1      HIS  82  -6.771   0.987  -4.139
  568    HE2  HIS  82           HE2      HIS  82  -8.162  -1.159  -3.844
  569    H    GLU  83           H        GLU  83 -10.947   1.927  -5.956
  570    HA   GLU  83           HA       GLU  83 -13.672   1.434  -6.800
  571    HB2  GLU  83           HB2      GLU  83 -12.704   0.336  -8.720
  572    HB3  GLU  83           HB3      GLU  83 -11.926   1.873  -8.424
  573    HG2  GLU  83           HG2      GLU  83 -10.022   0.588  -7.301
  574    HG3  GLU  83           HG3      GLU  83 -10.761  -0.878  -7.953
  575    H    GLY  84           H        GLY  84 -14.754  -0.446  -7.009
  576    HA2  GLY  84           HA2      GLY  84 -13.744  -2.969  -5.750
  577    HA3  GLY  84           HA3      GLY  84 -15.409  -2.643  -6.278
  578    HA   PRO  85           HA       PRO  85 -13.417  -4.914  -9.817
  579    HB2  PRO  85           HB2      PRO  85 -15.613  -6.332 -10.659
  580    HB3  PRO  85           HB3      PRO  85 -14.627  -6.794  -9.251
  581    HG2  PRO  85           HG2      PRO  85 -17.221  -5.220  -9.290
  582    HG3  PRO  85           HG3      PRO  85 -16.814  -6.628  -8.270
  583    HD2  PRO  85           HD2      PRO  85 -16.581  -4.075  -7.369
  584    HD3  PRO  85           HD3      PRO  85 -15.429  -5.352  -6.868
  585    H    GLU  86           H        GLU  86 -14.767  -2.144  -9.775
  586    HA   GLU  86           HA       GLU  86 -16.295  -2.123 -12.341
  587    HB2  GLU  86           HB2      GLU  86 -16.703  -0.791  -9.635
  588    HB3  GLU  86           HB3      GLU  86 -17.569  -0.267 -11.071
  589    HG2  GLU  86           HG2      GLU  86 -18.447  -2.595 -11.388
  590    HG3  GLU  86           HG3      GLU  86 -17.656  -3.064  -9.876
  591    H    GLY  87           H        GLY  87 -13.496  -0.729 -10.894
  592    HA2  GLY  87           HA2      GLY  87 -11.963   0.575 -11.982
  593    HA3  GLY  87           HA3      GLY  87 -13.155   0.945 -13.236
  594    H    GLN  88           H        GLN  88 -14.744   1.943 -10.549
  595    HA   GLN  88           HA       GLN  88 -13.994   4.754 -10.908
  596    HB2  GLN  88           HB2      GLN  88 -16.368   3.968 -10.566
  597    HB3  GLN  88           HB3      GLN  88 -15.929   3.475  -8.932
  598    HG2  GLN  88           HG2      GLN  88 -15.053   6.109  -8.946
  599    HG3  GLN  88           HG3      GLN  88 -16.411   6.202 -10.057
  600   HE21  GLN  88          HE21      GLN  88 -18.618   5.974  -9.127
  601   HE22  GLN  88          HE22      GLN  88 -18.783   5.782  -7.387
  602    H    GLY  89           H        GLY  89 -11.761   4.682 -10.253
  603    HA2  GLY  89           HA2      GLY  89 -11.250   4.289  -7.319
  604    HA3  GLY  89           HA3      GLY  89 -10.272   3.553  -8.579
  605    H    HIS  90           H        HIS  90  -8.773   4.706  -7.027
  606    HA   HIS  90           HA       HIS  90  -8.143   7.433  -8.033
  607    HB2  HIS  90           HB2      HIS  90  -6.894   7.856  -6.207
  608    HB3  HIS  90           HB3      HIS  90  -8.208   6.932  -5.522
  609    HD2  HIS  90           HD2      HIS  90  -4.508   7.126  -5.907
  610    HE1  HIS  90           HE1      HIS  90  -5.167   4.112  -3.034
  611    HE2  HIS  90           HE2      HIS  90  -3.442   5.610  -4.096
  612    H    LEU  91           H        LEU  91  -5.937   7.849  -8.829
  613    HA   LEU  91           HA       LEU  91  -5.101   5.904 -10.719
  614    HB2  LEU  91           HB2      LEU  91  -3.361   7.429 -11.333
  615    HB3  LEU  91           HB3      LEU  91  -4.885   8.249 -11.139
  616    HG   LEU  91           HG       LEU  91  -3.066   9.631 -10.461
  617   HD11  LEU  91          HD11      LEU  91  -4.540   8.901  -7.913
  618   HD12  LEU  91          HD12      LEU  91  -3.814  10.453  -8.347
  619   HD13  LEU  91          HD13      LEU  91  -5.230   9.873  -9.240
  620   HD21  LEU  91          HD21      LEU  91  -1.467   7.855  -9.729
  621   HD22  LEU  91          HD22      LEU  91  -1.562   9.256  -8.652
  622   HD23  LEU  91          HD23      LEU  91  -2.357   7.744  -8.191
  623    H    GLY  92           H        GLY  92  -4.420   5.798  -7.488
  624    HA2  GLY  92           HA2      GLY  92  -2.100   3.949  -7.855
  625    HA3  GLY  92           HA3      GLY  92  -2.364   4.936  -6.399
  626    H    ASP  93           H        ASP  93  -5.234   3.562  -7.823
  627    HA   ASP  93           HA       ASP  93  -5.511   1.541  -5.728
  628    HB2  ASP  93           HB2      ASP  93  -7.231   2.385  -8.096
  629    HB3  ASP  93           HB3      ASP  93  -7.598   0.978  -7.138
  630    H    LEU  94           H        LEU  94  -5.293  -0.627  -5.998
  631    HA   LEU  94           HA       LEU  94  -3.437  -1.524  -8.130
  632    HB2  LEU  94           HB2      LEU  94  -2.897  -0.294  -5.477
  633    HB3  LEU  94           HB3      LEU  94  -2.144  -1.864  -5.636
  634    HG   LEU  94           HG       LEU  94  -0.667  -1.213  -7.248
  635   HD11  LEU  94          HD11      LEU  94  -2.137   1.410  -7.733
  636   HD12  LEU  94          HD12      LEU  94  -0.606   0.913  -8.468
  637   HD13  LEU  94          HD13      LEU  94  -2.089   0.037  -8.851
  638   HD21  LEU  94          HD21      LEU  94  -0.346  -0.233  -4.949
  639   HD22  LEU  94          HD22      LEU  94   0.518   0.612  -6.252
  640   HD23  LEU  94          HD23      LEU  94  -0.970   1.298  -5.575
  641    HA   PRO  95           HA       PRO  95  -4.896  -5.527  -6.938
  642    HB2  PRO  95           HB2      PRO  95  -2.920  -7.218  -7.665
  643    HB3  PRO  95           HB3      PRO  95  -3.699  -6.150  -8.873
  644    HG2  PRO  95           HG2      PRO  95  -1.110  -5.642  -7.355
  645    HG3  PRO  95           HG3      PRO  95  -1.376  -5.567  -9.125
  646    HD2  PRO  95           HD2      PRO  95  -1.491  -3.357  -7.508
  647    HD3  PRO  95           HD3      PRO  95  -2.539  -3.526  -8.957
  648    H    VAL  96           H        VAL  96  -4.392  -7.552  -5.603
  649    HA   VAL  96           HA       VAL  96  -3.428  -6.629  -2.999
  650    HB   VAL  96           HB       VAL  96  -4.241  -8.783  -2.094
  651   HG11  VAL  96          HG11      VAL  96  -6.293  -7.223  -3.716
  652   HG12  VAL  96          HG12      VAL  96  -6.605  -8.219  -2.278
  653   HG13  VAL  96          HG13      VAL  96  -5.640  -6.744  -2.133
  654   HG21  VAL  96          HG21      VAL  96  -4.043 -10.238  -4.052
  655   HG22  VAL  96          HG22      VAL  96  -5.686 -10.220  -3.399
  656   HG23  VAL  96          HG23      VAL  96  -5.319  -9.312  -4.883
  657    H    LEU  97           H        LEU  97  -1.933  -7.408  -1.758
  658    HA   LEU  97           HA       LEU  97   0.504  -8.602  -2.801
  659    HB2  LEU  97           HB2      LEU  97   0.064  -6.620  -1.119
  660    HB3  LEU  97           HB3      LEU  97  -0.291  -7.845   0.041
  661    HG   LEU  97           HG       LEU  97   1.860  -7.440   0.580
  662   HD11  LEU  97          HD11      LEU  97   2.443  -9.383  -1.692
  663   HD12  LEU  97          HD12      LEU  97   3.472  -9.045  -0.288
  664   HD13  LEU  97          HD13      LEU  97   1.908  -9.843  -0.052
  665   HD21  LEU  97          HD21      LEU  97   2.141  -5.701  -1.051
  666   HD22  LEU  97          HD22      LEU  97   3.608  -6.696  -0.978
  667   HD23  LEU  97          HD23      LEU  97   2.468  -6.892  -2.337
  668    H    VAL  98           H        VAL  98  -0.124 -10.755  -3.329
  669    HA   VAL  98           HA       VAL  98  -1.374 -12.544  -1.406
  670    HB   VAL  98           HB       VAL  98   0.082 -13.107  -4.013
  671   HG11  VAL  98          HG11      VAL  98  -1.572 -14.992  -2.258
  672   HG12  VAL  98          HG12      VAL  98  -1.057 -15.345  -3.922
  673   HG13  VAL  98          HG13      VAL  98   0.155 -15.160  -2.655
  674   HG21  VAL  98          HG21      VAL  98  -1.997 -11.821  -4.306
  675   HG22  VAL  98          HG22      VAL  98  -2.238 -13.477  -4.869
  676   HG23  VAL  98          HG23      VAL  98  -2.885 -12.978  -3.289
  677    H    VAL  99           H        VAL  99  -0.489 -13.980  -0.021
  678    HA   VAL  99           HA       VAL  99   2.474 -14.123   0.345
  679    HB   VAL  99           HB       VAL  99   0.588 -14.462   2.661
  680   HG11  VAL  99          HG11      VAL  99   3.261 -12.970   2.617
  681   HG12  VAL  99          HG12      VAL  99   2.312 -13.449   4.003
  682   HG13  VAL  99          HG13      VAL  99   3.049 -14.707   2.992
  683   HG21  VAL  99          HG21      VAL  99  -0.345 -12.381   1.804
  684   HG22  VAL  99          HG22      VAL  99   0.596 -12.126   3.262
  685   HG23  VAL  99          HG23      VAL  99   1.277 -11.687   1.663
  686    H    ASN 100           H        ASN 100   3.172 -16.306   0.815
  687    HA   ASN 100           HA       ASN 100   1.047 -18.388   0.510
  688    HB2  ASN 100           HB2      ASN 100   2.449 -19.632  -0.642
  689    HB3  ASN 100           HB3      ASN 100   3.391 -18.164  -0.872
  690   HD21  ASN 100          HD21      ASN 100   5.194 -17.786   0.803
  691   HD22  ASN 100          HD22      ASN 100   5.927 -19.267   1.485
  692    H    ASN 101           H        ASN 101   1.245 -20.318   1.776
  693    HA   ASN 101           HA       ASN 101   0.557 -20.182   4.262
  694    HB2  ASN 101           HB2      ASN 101   0.551 -22.428   4.299
  695    HB3  ASN 101           HB3      ASN 101   0.903 -22.219   2.586
  696   HD21  ASN 101          HD21      ASN 101   3.520 -21.944   2.226
  697   HD22  ASN 101          HD22      ASN 101   4.522 -22.732   3.398
  698    H    ASP 102           H        ASP 102   3.957 -19.829   3.625
  699    HA   ASP 102           HA       ASP 102   4.988 -20.593   6.253
  700    HB2  ASP 102           HB2      ASP 102   6.330 -18.813   4.201
  701    HB3  ASP 102           HB3      ASP 102   7.105 -19.810   5.422
  702    H    GLY 103           H        GLY 103   3.586 -17.770   4.879
  703    HA2  GLY 103           HA2      GLY 103   3.222 -15.623   5.827
  704    HA3  GLY 103           HA3      GLY 103   4.579 -15.863   6.961
  705    H    ILE 104           H        ILE 104   4.988 -16.780   3.630
  706    HA   ILE 104           HA       ILE 104   6.794 -14.434   3.182
  707    HB   ILE 104           HB       ILE 104   7.063 -17.297   2.180
  708   HG12  ILE 104          HG12      ILE 104   8.945 -15.779   4.015
  709   HG13  ILE 104          HG13      ILE 104   7.702 -16.813   4.636
  710   HG21  ILE 104          HG21      ILE 104   8.812 -14.848   1.663
  711   HG22  ILE 104          HG22      ILE 104   9.243 -16.508   1.209
  712   HG23  ILE 104          HG23      ILE 104   7.860 -15.734   0.455
  713   HD11  ILE 104          HD11      ILE 104  10.084 -17.651   2.940
  714   HD12  ILE 104          HD12      ILE 104   9.734 -18.063   4.624
  715   HD13  ILE 104          HD13      ILE 104   8.728 -18.733   3.327
  716    H    ALA 105           H        ALA 105   6.216 -13.058   1.741
  717    HA   ALA 105           HA       ALA 105   4.465 -13.815  -0.555
  718    HB1  ALA 105           HB1      ALA 105   5.381 -11.099   0.509
  719    HB2  ALA 105           HB2      ALA 105   4.341 -11.364  -0.907
  720    HB3  ALA 105           HB3      ALA 105   3.760 -11.820   0.697
  721    H    THR 106           H        THR 106   5.400 -14.212  -2.447
  722    HA   THR 106           HA       THR 106   7.900 -12.931  -3.312
  723    HB   THR 106           HB       THR 106   8.602 -14.758  -1.818
  724    HG1  THR 106           HG1      THR 106   9.208 -14.850  -4.559
  725   HG21  THR 106          HG21      THR 106   7.506 -16.613  -3.984
  726   HG22  THR 106          HG22      THR 106   8.511 -17.081  -2.601
  727   HG23  THR 106          HG23      THR 106   6.875 -16.465  -2.328
  728    H    GLU 107           H        GLU 107   4.894 -13.707  -4.297
  729    HA   GLU 107           HA       GLU 107   5.690 -14.520  -7.033
  730    HB2  GLU 107           HB2      GLU 107   2.936 -14.188  -5.787
  731    HB3  GLU 107           HB3      GLU 107   3.253 -14.524  -7.494
  732    HG2  GLU 107           HG2      GLU 107   4.562 -16.591  -6.703
  733    HG3  GLU 107           HG3      GLU 107   3.800 -16.335  -5.125
  734    HA   PRO 108           HA       PRO 108   5.540 -10.154  -8.135
  735    HB2  PRO 108           HB2      PRO 108   5.483 -10.327 -10.871
  736    HB3  PRO 108           HB3      PRO 108   6.944 -10.647  -9.892
  737    HG2  PRO 108           HG2      PRO 108   4.954 -12.663 -10.985
  738    HG3  PRO 108           HG3      PRO 108   6.746 -12.713 -11.078
  739    HD2  PRO 108           HD2      PRO 108   5.378 -14.076  -9.158
  740    HD3  PRO 108           HD3      PRO 108   6.937 -13.287  -8.784
  741    H    VAL 109           H        VAL 109   4.055  -8.663  -8.516
  742    HA   VAL 109           HA       VAL 109   1.422  -9.309  -9.762
  743    HB   VAL 109           HB       VAL 109   1.230  -7.128  -7.813
  744   HG11  VAL 109          HG11      VAL 109  -0.306  -9.739  -8.102
  745   HG12  VAL 109          HG12      VAL 109  -0.820  -8.310  -7.183
  746   HG13  VAL 109          HG13      VAL 109  -0.665  -8.218  -8.946
  747   HG21  VAL 109          HG21      VAL 109   2.779  -8.353  -6.378
  748   HG22  VAL 109          HG22      VAL 109   1.139  -8.399  -5.726
  749   HG23  VAL 109          HG23      VAL 109   1.796  -9.832  -6.543
  750    H    THR 110           H        THR 110   0.404  -7.214 -10.701
  751    HA   THR 110           HA       THR 110   2.390  -5.045 -11.128
  752    HB   THR 110           HB       THR 110   0.988  -6.483 -13.427
  753    HG1  THR 110           HG1      THR 110   2.802  -7.491 -13.825
  754   HG21  THR 110          HG21      THR 110   3.233  -4.410 -13.479
  755   HG22  THR 110          HG22      THR 110   2.523  -5.223 -14.881
  756   HG23  THR 110          HG23      THR 110   1.544  -4.110 -13.924
  757    H    ALA 111           H        ALA 111   1.562  -3.079 -11.347
  758    HA   ALA 111           HA       ALA 111  -1.400  -2.765 -11.585
  759    HB1  ALA 111           HB1      ALA 111   0.763  -0.880 -10.600
  760    HB2  ALA 111           HB2      ALA 111  -0.957  -0.488 -10.738
  761    HB3  ALA 111           HB3      ALA 111  -0.421  -1.768  -9.620
  762    HA   PRO 112           HA       PRO 112  -0.195  -1.303 -15.827
  763    HB2  PRO 112           HB2      PRO 112  -2.439  -2.137 -17.143
  764    HB3  PRO 112           HB3      PRO 112  -1.100  -3.252 -16.749
  765    HG2  PRO 112           HG2      PRO 112  -3.660  -2.806 -15.181
  766    HG3  PRO 112           HG3      PRO 112  -2.952  -4.364 -15.720
  767    HD2  PRO 112           HD2      PRO 112  -2.545  -3.414 -13.218
  768    HD3  PRO 112           HD3      PRO 112  -1.234  -4.248 -14.104
  769    H    ARG 113           H        ARG 113  -2.403  -0.437 -13.496
  770    HA   ARG 113           HA       ARG 113  -3.925   1.607 -14.914
  771    HB2  ARG 113           HB2      ARG 113  -4.790   0.315 -13.001
  772    HB3  ARG 113           HB3      ARG 113  -3.583   1.028 -11.936
  773    HG2  ARG 113           HG2      ARG 113  -4.641   3.116 -11.907
  774    HG3  ARG 113           HG3      ARG 113  -5.495   2.842 -13.429
  775    HD2  ARG 113           HD2      ARG 113  -6.138   1.245 -10.907
  776    HD3  ARG 113           HD3      ARG 113  -6.891   2.795 -11.273
  777    HE   ARG 113           HE       ARG 113  -7.039   0.465 -13.171
  778   HH11  ARG 113          HH11      ARG 113  -9.102   2.348 -11.104
  779   HH12  ARG 113          HH12      ARG 113 -10.277   2.642 -12.338
  780   HH21  ARG 113          HH21      ARG 113  -8.765   0.424 -14.502
  781   HH22  ARG 113          HH22      ARG 113 -10.151   1.462 -14.215
  782    H    LEU 114           H        LEU 114  -0.749   1.369 -13.985
  783    HA   LEU 114           HA       LEU 114  -0.257   4.288 -14.205
  784    HB2  LEU 114           HB2      LEU 114   1.042   2.253 -12.352
  785    HB3  LEU 114           HB3      LEU 114   1.820   3.786 -12.734
  786    HG   LEU 114           HG       LEU 114  -1.000   3.726 -11.597
  787   HD11  LEU 114          HD11      LEU 114   1.568   3.853  -9.986
  788   HD12  LEU 114          HD12      LEU 114  -0.095   3.973  -9.375
  789   HD13  LEU 114          HD13      LEU 114   0.478   2.447 -10.068
  790   HD21  LEU 114          HD21      LEU 114  -0.270   5.889 -12.517
  791   HD22  LEU 114          HD22      LEU 114  -0.314   5.976 -10.748
  792   HD23  LEU 114          HD23      LEU 114   1.241   5.808 -11.575
  793    H    LYS 115           H        LYS 115   2.215   4.531 -14.882
  794    HA   LYS 115           HA       LYS 115   2.939   2.430 -16.868
  795    HB2  LYS 115           HB2      LYS 115   1.298   4.360 -17.671
  796    HB3  LYS 115           HB3      LYS 115   2.743   5.344 -17.668
  797    HG2  LYS 115           HG2      LYS 115   2.322   4.474 -19.900
  798    HG3  LYS 115           HG3      LYS 115   3.824   3.805 -19.289
  799    HD2  LYS 115           HD2      LYS 115   2.517   2.117 -20.494
  800    HD3  LYS 115           HD3      LYS 115   2.726   1.647 -18.820
  801    HE2  LYS 115           HE2      LYS 115   0.293   3.171 -18.935
  802    HE3  LYS 115           HE3      LYS 115   0.291   2.166 -20.369
  803    HZ1  LYS 115           HZ1      LYS 115   0.520   1.216 -17.572
  804    HZ2  LYS 115           HZ2      LYS 115  -0.745   1.010 -18.599
  805    HZ3  LYS 115           HZ3      LYS 115   0.679   0.244 -18.924
  806    H    SER 116           H        SER 116   4.124   4.996 -14.799
  807    HA   SER 116           HA       SER 116   6.911   4.221 -15.599
  808    HB2  SER 116           HB2      SER 116   6.260   6.183 -16.928
  809    HB3  SER 116           HB3      SER 116   5.871   7.074 -15.449
  810    HG   SER 116           HG       SER 116   8.050   7.325 -16.484
  811    H    LEU 117           H        LEU 117   8.568   5.053 -14.062
  812    HA   LEU 117           HA       LEU 117   7.731   4.656 -11.275
  813    HB2  LEU 117           HB2      LEU 117  10.107   4.195 -12.712
  814    HB3  LEU 117           HB3      LEU 117  10.479   5.663 -11.856
  815    HG   LEU 117           HG       LEU 117  11.326   4.070 -10.464
  816   HD11  LEU 117          HD11      LEU 117   8.531   4.197  -9.264
  817   HD12  LEU 117          HD12      LEU 117  10.050   3.888  -8.427
  818   HD13  LEU 117          HD13      LEU 117   9.754   5.488  -9.126
  819   HD21  LEU 117          HD21      LEU 117  10.572   2.102 -11.641
  820   HD22  LEU 117          HD22      LEU 117  10.289   1.903  -9.907
  821   HD23  LEU 117          HD23      LEU 117   8.925   2.288 -10.986
  822    H    ASP 118           H        ASP 118   8.793   7.332 -13.355
  823    HA   ASP 118           HA       ASP 118   9.507   9.161 -11.389
  824    HB2  ASP 118           HB2      ASP 118   9.980   9.182 -13.883
  825    HB3  ASP 118           HB3      ASP 118   8.367   9.870 -14.117
  826    H    GLU 119           H        GLU 119   6.328   8.459 -12.579
  827    HA   GLU 119           HA       GLU 119   4.957  10.752 -11.481
  828    HB2  GLU 119           HB2      GLU 119   2.907   9.293 -11.967
  829    HB3  GLU 119           HB3      GLU 119   3.925   9.836 -13.299
  830    HG2  GLU 119           HG2      GLU 119   5.025   7.541 -13.277
  831    HG3  GLU 119           HG3      GLU 119   3.794   7.040 -12.109
  832    H    VAL 120           H        VAL 120   6.120   7.840 -10.024
  833    HA   VAL 120           HA       VAL 120   4.530   8.412  -7.552
  834    HB   VAL 120           HB       VAL 120   4.708   6.048  -6.942
  835   HG11  VAL 120          HG11      VAL 120   3.399   6.449  -9.658
  836   HG12  VAL 120          HG12      VAL 120   3.053   5.162  -8.490
  837   HG13  VAL 120          HG13      VAL 120   2.693   6.848  -8.076
  838   HG21  VAL 120          HG21      VAL 120   6.765   5.482  -8.304
  839   HG22  VAL 120          HG22      VAL 120   5.441   4.321  -8.439
  840   HG23  VAL 120          HG23      VAL 120   5.733   5.476  -9.753
  841    H    LYS 121           H        LYS 121   7.474   9.050  -8.703
  842    HA   LYS 121           HA       LYS 121   9.333   7.865  -6.982
  843    HB2  LYS 121           HB2      LYS 121  10.885   9.445  -7.829
  844    HB3  LYS 121           HB3      LYS 121   9.745   9.079  -9.121
  845    HG2  LYS 121           HG2      LYS 121   8.479  11.215  -8.421
  846    HG3  LYS 121           HG3      LYS 121   9.852  11.591  -7.371
  847    HD2  LYS 121           HD2      LYS 121  11.371  11.710  -9.259
  848    HD3  LYS 121           HD3      LYS 121  10.130  11.055 -10.338
  849    HE2  LYS 121           HE2      LYS 121   8.681  13.059  -9.765
  850    HE3  LYS 121           HE3      LYS 121  10.091  13.759  -8.946
  851    HZ1  LYS 121           HZ1      LYS 121   9.831  13.076 -11.824
  852    HZ2  LYS 121           HZ2      LYS 121  10.039  14.582 -11.156
  853    HZ3  LYS 121           HZ3      LYS 121  11.259  13.478 -11.147
  854    H    ASP 122           H        ASP 122   6.983   9.788  -5.856
  855    HA   ASP 122           HA       ASP 122   8.513  11.196  -3.712
  856    HB2  ASP 122           HB2      ASP 122   7.950  12.414  -5.965
  857    HB3  ASP 122           HB3      ASP 122   6.282  12.386  -5.421
  858    H    LYS 123           H        LYS 123   6.776   8.730  -3.672
  859    HA   LYS 123           HA       LYS 123   4.447   9.641  -2.018
  860    HB2  LYS 123           HB2      LYS 123   4.433   7.330  -3.997
  861    HB3  LYS 123           HB3      LYS 123   3.060   8.001  -3.117
  862    HG2  LYS 123           HG2      LYS 123   4.552   9.371  -5.388
  863    HG3  LYS 123           HG3      LYS 123   3.009   8.524  -5.486
  864    HD2  LYS 123           HD2      LYS 123   2.161  10.202  -3.700
  865    HD3  LYS 123           HD3      LYS 123   3.594  11.157  -4.085
  866    HE2  LYS 123           HE2      LYS 123   1.410  10.243  -6.002
  867    HE3  LYS 123           HE3      LYS 123   1.625  11.886  -5.375
  868    HZ1  LYS 123           HZ1      LYS 123   3.344  10.511  -7.369
  869    HZ2  LYS 123           HZ2      LYS 123   2.588  11.958  -7.477
  870    HZ3  LYS 123           HZ3      LYS 123   3.876  11.817  -6.503
  871    H    ALA 124           H        ALA 124   3.585   8.180  -0.534
  872    HA   ALA 124           HA       ALA 124   5.287   5.989   0.474
  873    HB1  ALA 124           HB1      ALA 124   2.698   7.220   1.516
  874    HB2  ALA 124           HB2      ALA 124   3.718   6.039   2.379
  875    HB3  ALA 124           HB3      ALA 124   4.339   7.663   2.024
  876    H    LEU 125           H        LEU 125   4.539   3.899   0.832
  877    HA   LEU 125           HA       LEU 125   2.250   2.823  -0.837
  878    HB2  LEU 125           HB2      LEU 125   5.163   2.073  -0.727
  879    HB3  LEU 125           HB3      LEU 125   3.931   0.819  -0.853
  880    HG   LEU 125           HG       LEU 125   2.950   1.916  -2.840
  881   HD11  LEU 125          HD11      LEU 125   5.383   3.735  -2.648
  882   HD12  LEU 125          HD12      LEU 125   4.462   3.451  -4.145
  883   HD13  LEU 125          HD13      LEU 125   3.673   4.213  -2.766
  884   HD21  LEU 125          HD21      LEU 125   4.716   0.059  -2.787
  885   HD22  LEU 125          HD22      LEU 125   4.556   0.994  -4.285
  886   HD23  LEU 125          HD23      LEU 125   5.908   1.322  -3.154
  887    H    MET 126           H        MET 126   0.818   1.832   0.488
  888    HA   MET 126           HA       MET 126   1.729   0.774   3.146
  889    HB2  MET 126           HB2      MET 126  -1.047   1.461   2.110
  890    HB3  MET 126           HB3      MET 126  -0.689   0.768   3.697
  891    HG2  MET 126           HG2      MET 126   0.675   2.779   4.257
  892    HG3  MET 126           HG3      MET 126   0.277   3.471   2.690
  893    HE1  MET 126           HE1      MET 126  -0.671   5.670   3.690
  894    HE2  MET 126           HE2      MET 126  -1.780   5.741   5.073
  895    HE3  MET 126           HE3      MET 126  -0.142   5.059   5.265
  896    H    ILE 127           H        ILE 127   1.708  -1.357   3.540
  897    HA   ILE 127           HA       ILE 127   0.172  -3.231   1.771
  898    HB   ILE 127           HB       ILE 127   2.346  -3.849   3.798
  899   HG12  ILE 127          HG12      ILE 127   2.161  -4.204   0.769
  900   HG13  ILE 127          HG13      ILE 127   3.184  -3.051   1.621
  901   HG21  ILE 127          HG21      ILE 127   0.615  -5.778   2.175
  902   HG22  ILE 127          HG22      ILE 127   1.961  -6.237   3.245
  903   HG23  ILE 127          HG23      ILE 127   0.518  -5.539   3.933
  904   HD11  ILE 127          HD11      ILE 127   3.506  -6.085   1.682
  905   HD12  ILE 127          HD12      ILE 127   4.518  -4.924   0.839
  906   HD13  ILE 127          HD13      ILE 127   4.484  -4.928   2.615
  907    H    HIS 128           H        HIS 128  -1.659  -3.849   2.462
  908    HA   HIS 128           HA       HIS 128  -2.636  -2.682   4.998
  909    HB2  HIS 128           HB2      HIS 128  -3.454  -2.852   2.131
  910    HB3  HIS 128           HB3      HIS 128  -4.762  -2.842   3.228
  911    HD1  HIS 128           HD1      HIS 128  -4.107  -0.675   5.295
  912    HD2  HIS 128           HD2      HIS 128  -3.365  -0.536   1.180
  913    HE1  HIS 128           HE1      HIS 128  -4.249   1.817   4.638
  914    H    VAL 129           H        VAL 129  -4.098  -3.705   6.346
  915    HA   VAL 129           HA       VAL 129  -3.511  -6.484   6.675
  916    HB   VAL 129           HB       VAL 129  -5.586  -4.743   8.021
  917   HG11  VAL 129          HG11      VAL 129  -4.715  -7.566   8.799
  918   HG12  VAL 129          HG12      VAL 129  -5.635  -6.466   9.850
  919   HG13  VAL 129          HG13      VAL 129  -6.356  -7.047   8.352
  920   HG21  VAL 129          HG21      VAL 129  -3.189  -4.147   8.410
  921   HG22  VAL 129          HG22      VAL 129  -3.939  -4.748   9.892
  922   HG23  VAL 129          HG23      VAL 129  -2.868  -5.797   8.944
  923    H    GLY 130           H        GLY 130  -6.469  -4.892   5.436
  924    HA2  GLY 130           HA2      GLY 130  -7.484  -7.567   4.520
  925    HA3  GLY 130           HA3      GLY 130  -8.479  -6.121   4.704
  926    H    GLY 131           H        GLY 131  -8.491  -7.567   2.409
  927    HA2  GLY 131           HA2      GLY 131  -6.899  -6.178   0.320
  928    HA3  GLY 131           HA3      GLY 131  -8.092  -7.474   0.083
  929    H    ASP 132           H        ASP 132  -7.633  -4.053   0.749
  930    HA   ASP 132           HA       ASP 132 -10.310  -3.207   0.727
  931    HB2  ASP 132           HB2      ASP 132  -8.510  -1.830   1.544
  932    HB3  ASP 132           HB3      ASP 132  -7.787  -1.780  -0.054
  933    H    ASN 133           H        ASN 133 -11.760  -2.915  -0.729
  934    HA   ASN 133           HA       ASN 133 -11.837  -2.917  -3.549
  935    HB2  ASN 133           HB2      ASN 133 -10.541  -4.900  -3.700
  936    HB3  ASN 133           HB3      ASN 133 -11.283  -5.611  -2.269
  937   HD21  ASN 133          HD21      ASN 133 -11.947  -4.831  -5.717
  938   HD22  ASN 133          HD22      ASN 133 -13.149  -6.120  -5.865
  939    H    MET 134           H        MET 134 -13.128  -4.588  -0.651
  940    HA   MET 134           HA       MET 134 -15.918  -4.317  -1.442
  941    HB2  MET 134           HB2      MET 134 -16.398  -5.152   0.838
  942    HB3  MET 134           HB3      MET 134 -15.360  -6.188  -0.133
  943    HG2  MET 134           HG2      MET 134 -13.369  -5.445   1.125
  944    HG3  MET 134           HG3      MET 134 -14.363  -4.303   2.031
  945    HE1  MET 134           HE1      MET 134 -13.340  -8.010   1.442
  946    HE2  MET 134           HE2      MET 134 -14.437  -8.906   2.511
  947    HE3  MET 134           HE3      MET 134 -15.069  -8.146   1.047
  948    H    SER 135           H        SER 135 -15.353  -2.021  -1.983
  949    HA   SER 135           HA       SER 135 -14.864  -0.045   0.000
  950    HB2  SER 135           HB2      SER 135 -14.297  -0.148  -2.487
  951    HB3  SER 135           HB3      SER 135 -15.964   0.342  -2.807
  952    HG   SER 135           HG       SER 135 -14.464   2.041  -2.819
  953    H    ASP 136           H        ASP 136 -17.967  -1.315  -1.001
  954    HA   ASP 136           HA       ASP 136 -19.474   1.120  -0.492
  955    HB2  ASP 136           HB2      ASP 136 -19.988  -0.532  -2.292
  956    HB3  ASP 136           HB3      ASP 136 -20.482  -1.692  -1.059
  957    H    GLN 137           H        GLN 137 -18.651   1.365   1.747
  958    HA   GLN 137           HA       GLN 137 -20.688   0.628   3.659
  959    HB2  GLN 137           HB2      GLN 137 -19.119  -0.555   5.241
  960    HB3  GLN 137           HB3      GLN 137 -19.570  -1.480   3.824
  961    HG2  GLN 137           HG2      GLN 137 -17.400  -0.976   2.761
  962    HG3  GLN 137           HG3      GLN 137 -16.942   0.034   4.130
  963   HE21  GLN 137          HE21      GLN 137 -16.383  -2.954   2.838
  964   HE22  GLN 137          HE22      GLN 137 -16.071  -3.826   4.347
  965    HA   PRO 138           HA       PRO 138 -18.998   4.311   5.555
  966    HB2  PRO 138           HB2      PRO 138 -19.980   4.228   8.092
  967    HB3  PRO 138           HB3      PRO 138 -21.039   4.416   6.663
  968    HG2  PRO 138           HG2      PRO 138 -20.373   1.849   8.146
  969    HG3  PRO 138           HG3      PRO 138 -21.996   2.485   7.714
  970    HD2  PRO 138           HD2      PRO 138 -20.738   0.651   6.159
  971    HD3  PRO 138           HD3      PRO 138 -21.694   1.974   5.434
  972    H    LYS 139           H        LYS 139 -17.891   1.189   6.560
  973    HA   LYS 139           HA       LYS 139 -15.816   2.318   8.356
  974    HB2  LYS 139           HB2      LYS 139 -16.600  -0.546   7.757
  975    HB3  LYS 139           HB3      LYS 139 -15.258  -0.051   8.801
  976    HG2  LYS 139           HG2      LYS 139 -16.867   1.254  10.216
  977    HG3  LYS 139           HG3      LYS 139 -18.200   0.672   9.215
  978    HD2  LYS 139           HD2      LYS 139 -17.704  -1.664   9.909
  979    HD3  LYS 139           HD3      LYS 139 -16.391  -1.055  10.951
  980    HE2  LYS 139           HE2      LYS 139 -18.059   0.409  12.129
  981    HE3  LYS 139           HE3      LYS 139 -19.348  -0.280  11.146
  982    HZ1  LYS 139           HZ1      LYS 139 -17.681  -1.794  13.101
  983    HZ2  LYS 139           HZ2      LYS 139 -19.230  -1.327  13.316
  984    HZ3  LYS 139           HZ3      LYS 139 -18.871  -2.442  12.169
  985    HA   PRO 140           HA       PRO 140 -14.051   2.942   4.396
  986    HB2  PRO 140           HB2      PRO 140 -11.825   4.439   4.971
  987    HB3  PRO 140           HB3      PRO 140 -13.498   5.038   5.166
  988    HG2  PRO 140           HG2      PRO 140 -11.712   3.800   7.294
  989    HG3  PRO 140           HG3      PRO 140 -12.608   5.356   7.372
  990    HD2  PRO 140           HD2      PRO 140 -13.662   3.114   8.443
  991    HD3  PRO 140           HD3      PRO 140 -14.696   4.252   7.523
  992    H    LEU 141           H        LEU 141 -12.239   2.552   3.002
  993    HA   LEU 141           HA       LEU 141 -10.812   1.116   1.966
  994    HB2  LEU 141           HB2      LEU 141  -9.487   1.266   4.696
  995    HB3  LEU 141           HB3      LEU 141  -8.807   0.360   3.351
  996    HG   LEU 141           HG       LEU 141  -8.728   2.406   1.976
  997   HD11  LEU 141          HD11      LEU 141  -9.479   3.839   4.555
  998   HD12  LEU 141          HD12      LEU 141  -8.737   4.628   3.147
  999   HD13  LEU 141          HD13      LEU 141 -10.336   3.910   2.993
 1000   HD21  LEU 141          HD21      LEU 141  -6.757   1.563   3.181
 1001   HD22  LEU 141          HD22      LEU 141  -6.733   3.333   3.161
 1002   HD23  LEU 141          HD23      LEU 141  -7.224   2.489   4.630
 1003    H    GLY 142           H        GLY 142 -13.225   0.030   2.976
 1004    HA2  GLY 142           HA2      GLY 142 -14.293  -1.997   3.009
 1005    HA3  GLY 142           HA3      GLY 142 -12.740  -2.791   2.646
 1006    H    GLY 143           H        GLY 143 -12.671  -0.825   5.458
 1007    HA2  GLY 143           HA2      GLY 143 -12.469  -1.385   7.725
 1008    HA3  GLY 143           HA3      GLY 143 -12.971  -3.061   7.369
 1009    H    GLY 144           H        GLY 144 -10.806  -2.856   5.084
 1010    HA2  GLY 144           HA2      GLY 144  -8.709  -4.211   6.602
 1011    HA3  GLY 144           HA3      GLY 144  -8.829  -3.982   4.831
 1012    H    GLY 145           H        GLY 145  -9.150  -1.034   6.366
 1013    HA2  GLY 145           HA2      GLY 145  -6.881   0.027   5.067
 1014    HA3  GLY 145           HA3      GLY 145  -7.912   0.890   6.237
 1015    H    THR 146           H        THR 146  -6.902  -1.419   8.211
 1016    HA   THR 146           HA       THR 146  -4.685  -0.003   9.397
 1017    HB   THR 146           HB       THR 146  -4.402  -2.343  10.560
 1018    HG1  THR 146           HG1      THR 146  -6.438  -3.467  10.450
 1019   HG21  THR 146          HG21      THR 146  -6.968  -0.710  10.868
 1020   HG22  THR 146          HG22      THR 146  -6.280  -1.824  12.073
 1021   HG23  THR 146          HG23      THR 146  -5.406  -0.344  11.635
 1022    H    ARG 147           H        ARG 147  -2.499  -0.811   9.590
 1023    HA   ARG 147           HA       ARG 147  -1.467  -1.610   6.915
 1024    HB2  ARG 147           HB2      ARG 147   0.300  -0.645   9.143
 1025    HB3  ARG 147           HB3      ARG 147   0.486  -0.454   7.412
 1026    HG2  ARG 147           HG2      ARG 147  -1.400   1.108   9.238
 1027    HG3  ARG 147           HG3      ARG 147   0.130   1.665   8.591
 1028    HD2  ARG 147           HD2      ARG 147  -0.763   1.593   6.300
 1029    HD3  ARG 147           HD3      ARG 147  -2.337   1.072   6.915
 1030    HE   ARG 147           HE       ARG 147  -1.093   3.739   7.103
 1031   HH11  ARG 147          HH11      ARG 147  -3.986   1.868   7.926
 1032   HH12  ARG 147          HH12      ARG 147  -4.639   3.136   8.919
 1033   HH21  ARG 147          HH21      ARG 147  -2.243   5.495   8.127
 1034   HH22  ARG 147          HH22      ARG 147  -3.827   5.170   8.738
 1035    H    TYR 148           H        TYR 148  -0.301  -3.524   6.676
 1036    HA   TYR 148           HA       TYR 148   0.761  -4.789   9.179
 1037    HB2  TYR 148           HB2      TYR 148  -0.662  -6.236   7.418
 1038    HB3  TYR 148           HB3      TYR 148   0.922  -6.429   6.669
 1039    HD1  TYR 148           HD1      TYR 148  -1.097  -7.015   9.717
 1040    HD2  TYR 148           HD2      TYR 148   2.730  -7.673   7.832
 1041    HE1  TYR 148           HE1      TYR 148  -0.503  -8.641  11.501
 1042    HE2  TYR 148           HE2      TYR 148   3.346  -9.244   9.666
 1043    HH   TYR 148           HH       TYR 148   1.104 -10.077  12.340
 1044    H    ALA 149           H        ALA 149   1.558  -3.052   6.267
 1045    HA   ALA 149           HA       ALA 149   4.034  -2.395   7.518
 1046    HB1  ALA 149           HB1      ALA 149   4.320  -3.758   4.798
 1047    HB2  ALA 149           HB2      ALA 149   5.612  -3.038   5.763
 1048    HB3  ALA 149           HB3      ALA 149   4.789  -4.491   6.346
 1049    H    CYS 150           H        CYS 150   5.235  -0.686   6.228
 1050    HA   CYS 150           HA       CYS 150   3.833   0.556   3.999
 1051    HB2  CYS 150           HB2      CYS 150   2.678   1.519   5.936
 1052    HB3  CYS 150           HB3      CYS 150   4.223   2.020   6.619
 1053    H    GLY 151           H        GLY 151   5.150   2.145   2.934
 1054    HA2  GLY 151           HA2      GLY 151   8.023   2.333   3.630
 1055    HA3  GLY 151           HA3      GLY 151   7.641   1.402   2.190
 1056    H    VAL 152           H        VAL 152   9.225   3.251   1.652
 1057    HA   VAL 152           HA       VAL 152   7.725   5.548   0.469
 1058    HB   VAL 152           HB       VAL 152   8.604   6.386   2.525
 1059   HG11  VAL 152          HG11      VAL 152  11.380   5.403   1.742
 1060   HG12  VAL 152          HG12      VAL 152  10.969   6.398   3.150
 1061   HG13  VAL 152          HG13      VAL 152  10.364   4.743   3.044
 1062   HG21  VAL 152          HG21      VAL 152   8.838   7.848   0.474
 1063   HG22  VAL 152          HG22      VAL 152   9.975   8.230   1.781
 1064   HG23  VAL 152          HG23      VAL 152  10.538   7.335   0.370
 1065    H    ILE 153           H        ILE 153   8.375   6.253  -1.476
 1066    HA   ILE 153           HA       ILE 153  10.599   4.818  -2.871
 1067    HB   ILE 153           HB       ILE 153   8.380   6.609  -3.955
 1068   HG12  ILE 153          HG12      ILE 153   8.795   3.637  -4.452
 1069   HG13  ILE 153          HG13      ILE 153   7.769   4.203  -3.137
 1070   HG21  ILE 153          HG21      ILE 153  10.572   5.013  -5.387
 1071   HG22  ILE 153          HG22      ILE 153   9.225   5.813  -6.203
 1072   HG23  ILE 153          HG23      ILE 153  10.419   6.782  -5.352
 1073   HD11  ILE 153          HD11      ILE 153   7.296   4.812  -6.080
 1074   HD12  ILE 153          HD12      ILE 153   6.485   3.580  -5.126
 1075   HD13  ILE 153          HD13      ILE 153   6.258   5.291  -4.712
 1076    H    LYS 154           H        LYS 154  12.397   5.931  -3.687
 1077    HA   LYS 154           HA       LYS 154  13.301   8.263  -2.324
 1078    HB2  LYS 154           HB2      LYS 154  14.149   6.846  -4.888
 1079    HB3  LYS 154           HB3      LYS 154  15.020   8.250  -4.290
 1080    HG2  LYS 154           HG2      LYS 154  14.603   5.703  -2.667
 1081    HG3  LYS 154           HG3      LYS 154  16.014   6.049  -3.655
 1082    HD2  LYS 154           HD2      LYS 154  16.973   7.197  -2.005
 1083    HD3  LYS 154           HD3      LYS 154  15.645   8.350  -1.962
 1084    HE2  LYS 154           HE2      LYS 154  14.402   6.906  -0.391
 1085    HE3  LYS 154           HE3      LYS 154  15.677   5.673  -0.502
 1086    HZ1  LYS 154           HZ1      LYS 154  16.055   8.421   0.563
 1087    HZ2  LYS 154           HZ2      LYS 154  15.944   7.088   1.477
 1088    HZ3  LYS 154           HZ3      LYS 154  17.223   7.245   0.462
  Start of MODEL   25
    1    H1   ALA   1           H1       ALA   1  12.133  -0.604 -15.231
    2    H2   ALA   1           H2       ALA   1  12.549   0.292 -16.549
    3    H3   ALA   1           H3       ALA   1  11.299   0.750 -15.569
    4    HA   ALA   1           HA       ALA   1  14.128   0.626 -14.769
    5    HB1  ALA   1           HB1      ALA   1  12.369   3.095 -15.147
    6    HB2  ALA   1           HB2      ALA   1  14.052   3.070 -14.590
    7    HB3  ALA   1           HB3      ALA   1  13.663   2.571 -16.246
    8    H    SER   2           H        SER   2  14.471   1.409 -12.421
    9    HA   SER   2           HA       SER   2  12.175   0.159 -10.956
   10    HB2  SER   2           HB2      SER   2  14.926  -0.936 -10.603
   11    HB3  SER   2           HB3      SER   2  13.362  -1.731 -10.418
   12    HG   SER   2           HG       SER   2  13.244  -1.734 -12.794
   13    H    GLU   3           H        GLU   3  12.200   0.065  -8.759
   14    HA   GLU   3           HA       GLU   3  14.364   1.225  -7.213
   15    HB2  GLU   3           HB2      GLU   3  13.168   3.275  -7.707
   16    HB3  GLU   3           HB3      GLU   3  11.621   2.532  -7.244
   17    HG2  GLU   3           HG2      GLU   3  12.451   4.045  -5.514
   18    HG3  GLU   3           HG3      GLU   3  12.322   2.374  -4.939
   19    H    LYS   4           H        LYS   4  14.556   0.096  -5.384
   20    HA   LYS   4           HA       LYS   4  12.596  -2.031  -4.774
   21    HB2  LYS   4           HB2      LYS   4  14.815  -2.655  -5.665
   22    HB3  LYS   4           HB3      LYS   4  15.611  -1.682  -4.419
   23    HG2  LYS   4           HG2      LYS   4  14.566  -3.090  -2.692
   24    HG3  LYS   4           HG3      LYS   4  13.887  -4.134  -3.957
   25    HD2  LYS   4           HD2      LYS   4  16.853  -3.568  -3.488
   26    HD3  LYS   4           HD3      LYS   4  16.014  -4.999  -2.876
   27    HE2  LYS   4           HE2      LYS   4  15.642  -5.880  -5.065
   28    HE3  LYS   4           HE3      LYS   4  16.064  -4.344  -5.845
   29    HZ1  LYS   4           HZ1      LYS   4  18.037  -5.897  -4.293
   30    HZ2  LYS   4           HZ2      LYS   4  17.863  -6.061  -5.907
   31    HZ3  LYS   4           HZ3      LYS   4  18.300  -4.603  -5.277
   32    H    VAL   5           H        VAL   5  11.191  -1.015  -3.238
   33    HA   VAL   5           HA       VAL   5  12.506   0.546  -1.076
   34    HB   VAL   5           HB       VAL   5  10.146   0.743  -0.135
   35   HG11  VAL   5          HG11      VAL   5  10.763   1.800  -2.899
   36   HG12  VAL   5          HG12      VAL   5   9.687   2.522  -1.654
   37   HG13  VAL   5          HG13      VAL   5  11.442   2.445  -1.376
   38   HG21  VAL   5          HG21      VAL   5   8.838  -0.912  -1.345
   39   HG22  VAL   5          HG22      VAL   5   8.379   0.722  -1.928
   40   HG23  VAL   5          HG23      VAL   5   9.448  -0.289  -2.901
   41    H    GLY   6           H        GLY   6  13.090  -0.071   0.833
   42    HA2  GLY   6           HA2      GLY   6  12.652  -2.662   2.027
   43    HA3  GLY   6           HA3      GLY   6  13.211  -1.186   2.851
   44    H    MET   7           H        MET   7  10.641  -3.333   2.338
   45    HA   MET   7           HA       MET   7   8.462  -1.630   3.345
   46    HB2  MET   7           HB2      MET   7   8.778  -4.334   2.181
   47    HB3  MET   7           HB3      MET   7   7.509  -4.204   3.428
   48    HG2  MET   7           HG2      MET   7   7.736  -2.294   1.077
   49    HG3  MET   7           HG3      MET   7   6.852  -3.821   0.998
   50    HE1  MET   7           HE1      MET   7   4.927  -2.487   0.064
   51    HE2  MET   7           HE2      MET   7   4.018  -1.250   0.957
   52    HE3  MET   7           HE3      MET   7   5.649  -0.881   0.370
   53    H    ASN   8           H        ASN   8   8.441  -1.062   5.332
   54    HA   ASN   8           HA       ASN   8   9.764  -2.686   7.440
   55    HB2  ASN   8           HB2      ASN   8  10.311  -0.206   6.615
   56    HB3  ASN   8           HB3      ASN   8   8.988   0.224   7.713
   57   HD21  ASN   8          HD21      ASN   8  12.270  -0.844   7.391
   58   HD22  ASN   8          HD22      ASN   8  12.653  -1.018   9.106
   59    H    LEU   9           H        LEU   9   8.753  -3.010   9.478
   60    HA   LEU   9           HA       LEU   9   5.890  -3.397   9.261
   61    HB2  LEU   9           HB2      LEU   9   7.860  -3.967  11.514
   62    HB3  LEU   9           HB3      LEU   9   6.193  -4.526  11.477
   63    HG   LEU   9           HG       LEU   9   8.322  -5.318   9.440
   64   HD11  LEU   9          HD11      LEU   9   7.177  -6.825  11.825
   65   HD12  LEU   9          HD12      LEU   9   8.213  -7.535  10.575
   66   HD13  LEU   9          HD13      LEU   9   8.850  -6.251  11.615
   67   HD21  LEU   9          HD21      LEU   9   6.151  -5.467   8.396
   68   HD22  LEU   9          HD22      LEU   9   6.635  -7.102   8.844
   69   HD23  LEU   9          HD23      LEU   9   5.446  -6.241   9.837
   70    H    VAL  10           H        VAL  10   5.720  -0.941   9.017
   71    HA   VAL  10           HA       VAL  10   5.641   0.683  11.391
   72    HB   VAL  10           HB       VAL  10   4.925   2.459  10.095
   73   HG11  VAL  10          HG11      VAL  10   6.000   0.825   7.788
   74   HG12  VAL  10          HG12      VAL  10   6.269   2.534   8.170
   75   HG13  VAL  10          HG13      VAL  10   7.056   1.258   9.121
   76   HG21  VAL  10          HG21      VAL  10   2.768   1.668   9.320
   77   HG22  VAL  10          HG22      VAL  10   3.673   2.275   7.937
   78   HG23  VAL  10          HG23      VAL  10   3.546   0.517   8.201
   79    H    THR  11           H        THR  11   3.945   1.771  12.388
   80    HA   THR  11           HA       THR  11   1.198   1.034  12.201
   81    HB   THR  11           HB       THR  11   1.944  -1.145  12.995
   82    HG1  THR  11           HG1      THR  11   0.512  -1.281  14.640
   83   HG21  THR  11          HG21      THR  11   2.967   0.307  15.488
   84   HG22  THR  11          HG22      THR  11   2.830  -1.450  15.271
   85   HG23  THR  11          HG23      THR  11   3.964  -0.531  14.279
   86    H    ALA  12           H        ALA  12   0.814   1.395  15.013
   87    HA   ALA  12           HA       ALA  12   0.220   4.190  15.202
   88    HB1  ALA  12           HB1      ALA  12   0.499   2.132  17.426
   89    HB2  ALA  12           HB2      ALA  12  -0.395   3.667  17.494
   90    HB3  ALA  12           HB3      ALA  12  -0.938   2.383  16.405
   91    H    GLN  13           H        GLN  13   3.360   2.887  15.694
   92    HA   GLN  13           HA       GLN  13   4.238   5.308  17.239
   93    HB2  GLN  13           HB2      GLN  13   5.371   2.523  16.789
   94    HB3  GLN  13           HB3      GLN  13   6.376   3.858  17.394
   95    HG2  GLN  13           HG2      GLN  13   4.737   2.014  18.838
   96    HG3  GLN  13           HG3      GLN  13   5.903   3.214  19.428
   97   HE21  GLN  13          HE21      GLN  13   2.511   2.477  18.969
   98   HE22  GLN  13          HE22      GLN  13   1.958   4.113  19.340
   99    H    GLY  14           H        GLY  14   3.810   4.413  14.076
  100    HA2  GLY  14           HA2      GLY  14   4.732   5.319  12.115
  101    HA3  GLY  14           HA3      GLY  14   6.145   5.916  13.043
  102    H    VAL  15           H        VAL  15   7.576   4.987  11.664
  103    HA   VAL  15           HA       VAL  15   7.733   2.451  10.622
  104    HB   VAL  15           HB       VAL  15  10.140   4.094  11.483
  105   HG11  VAL  15          HG11      VAL  15   9.731   2.144   9.164
  106   HG12  VAL  15          HG12      VAL  15  11.202   3.090   9.471
  107   HG13  VAL  15          HG13      VAL  15  10.713   1.839  10.615
  108   HG21  VAL  15          HG21      VAL  15   8.654   5.592  10.252
  109   HG22  VAL  15          HG22      VAL  15  10.002   5.136   9.215
  110   HG23  VAL  15          HG23      VAL  15   8.418   4.369   8.982
  111    H    GLY  16           H        GLY  16   8.430   0.459  11.204
  112    HA2  GLY  16           HA2      GLY  16   8.876  -0.100  14.105
  113    HA3  GLY  16           HA3      GLY  16   8.220  -1.217  12.881
  114    H    GLN  17           H        GLN  17   9.577  -2.715  12.073
  115    HA   GLN  17           HA       GLN  17  12.415  -2.067  11.751
  116    HB2  GLN  17           HB2      GLN  17  13.307  -4.056  12.623
  117    HB3  GLN  17           HB3      GLN  17  12.353  -3.340  13.902
  118    HG2  GLN  17           HG2      GLN  17  10.944  -5.121  14.049
  119    HG3  GLN  17           HG3      GLN  17  10.858  -5.351  12.291
  120   HE21  GLN  17          HE21      GLN  17  12.818  -6.406  11.185
  121   HE22  GLN  17          HE22      GLN  17  13.745  -7.517  12.166
  122    H    SER  18           H        SER  18  13.522  -3.744  10.318
  123    HA   SER  18           HA       SER  18  11.755  -4.038   7.975
  124    HB2  SER  18           HB2      SER  18  13.805  -2.733   7.730
  125    HB3  SER  18           HB3      SER  18  14.763  -4.095   8.344
  126    HG   SER  18           HG       SER  18  14.977  -4.398   6.285
  127    H    ILE  19           H        ILE  19  11.585  -5.828   6.704
  128    HA   ILE  19           HA       ILE  19  12.729  -8.429   7.600
  129    HB   ILE  19           HB       ILE  19  10.511  -9.491   7.300
  130   HG12  ILE  19          HG12      ILE  19   9.090  -6.906   7.849
  131   HG13  ILE  19          HG13      ILE  19   9.603  -7.200   6.181
  132   HG21  ILE  19          HG21      ILE  19  10.597  -7.539   9.617
  133   HG22  ILE  19          HG22      ILE  19   9.697  -9.065   9.526
  134   HG23  ILE  19          HG23      ILE  19  11.465  -9.086   9.528
  135   HD11  ILE  19          HD11      ILE  19   7.871  -9.099   7.806
  136   HD12  ILE  19          HD12      ILE  19   7.320  -8.001   6.516
  137   HD13  ILE  19          HD13      ILE  19   8.420  -9.337   6.130
  138    H    GLY  20           H        GLY  20  12.436  -6.365   5.080
  139    HA2  GLY  20           HA2      GLY  20  13.299  -7.907   2.992
  140    HA3  GLY  20           HA3      GLY  20  11.564  -8.189   2.979
  141    H    THR  21           H        THR  21  12.657  -7.045   0.770
  142    HA   THR  21           HA       THR  21  11.690  -4.217   0.885
  143    HB   THR  21           HB       THR  21  12.959  -3.680  -1.016
  144    HG1  THR  21           HG1      THR  21  13.583  -6.449  -1.195
  145   HG21  THR  21          HG21      THR  21  14.840  -5.459   0.585
  146   HG22  THR  21          HG22      THR  21  15.253  -4.061  -0.424
  147   HG23  THR  21          HG23      THR  21  14.336  -3.824   1.069
  148    H    VAL  22           H        VAL  22  10.620  -3.556  -1.337
  149    HA   VAL  22           HA       VAL  22   9.699  -5.993  -2.791
  150    HB   VAL  22           HB       VAL  22   7.948  -3.504  -2.509
  151   HG11  VAL  22          HG11      VAL  22   7.669  -6.143  -4.007
  152   HG12  VAL  22          HG12      VAL  22   6.346  -5.062  -3.768
  153   HG13  VAL  22          HG13      VAL  22   7.726  -4.519  -4.733
  154   HG21  VAL  22          HG21      VAL  22   7.866  -4.963  -0.465
  155   HG22  VAL  22          HG22      VAL  22   6.335  -4.943  -1.352
  156   HG23  VAL  22          HG23      VAL  22   7.426  -6.336  -1.491
  157    H    VAL  23           H        VAL  23  10.250  -5.918  -4.898
  158    HA   VAL  23           HA       VAL  23  11.662  -3.470  -5.793
  159    HB   VAL  23           HB       VAL  23  12.745  -5.610  -6.078
  160   HG11  VAL  23          HG11      VAL  23  10.791  -6.304  -8.213
  161   HG12  VAL  23          HG12      VAL  23  12.387  -7.047  -7.977
  162   HG13  VAL  23          HG13      VAL  23  11.209  -7.183  -6.693
  163   HG21  VAL  23          HG21      VAL  23  13.330  -3.551  -7.385
  164   HG22  VAL  23          HG22      VAL  23  13.705  -5.039  -8.267
  165   HG23  VAL  23          HG23      VAL  23  12.252  -4.104  -8.684
  166    H    ILE  24           H        ILE  24  10.714  -1.935  -6.876
  167    HA   ILE  24           HA       ILE  24   8.158  -2.475  -8.338
  168    HB   ILE  24           HB       ILE  24   9.385   0.169  -7.475
  169   HG12  ILE  24          HG12      ILE  24   6.892  -0.681  -6.099
  170   HG13  ILE  24          HG13      ILE  24   8.232  -1.543  -5.546
  171   HG21  ILE  24          HG21      ILE  24   6.637  -0.556  -8.593
  172   HG22  ILE  24          HG22      ILE  24   7.103   1.059  -8.003
  173   HG23  ILE  24          HG23      ILE  24   7.919   0.369  -9.403
  174   HD11  ILE  24          HD11      ILE  24   7.888   1.477  -5.687
  175   HD12  ILE  24          HD12      ILE  24   7.777   0.439  -4.256
  176   HD13  ILE  24          HD13      ILE  24   9.354   0.655  -5.070
  177    H    ASP  25           H        ASP  25   8.322  -2.489 -10.523
  178    HA   ASP  25           HA       ASP  25  10.478  -0.900 -11.815
  179    HB2  ASP  25           HB2      ASP  25  11.230  -3.181 -11.680
  180    HB3  ASP  25           HB3      ASP  25   9.730  -3.776 -12.437
  181    H    GLU  26           H        GLU  26   9.700   0.487 -13.195
  182    HA   GLU  26           HA       GLU  26   6.899   0.439 -14.007
  183    HB2  GLU  26           HB2      GLU  26   7.286   2.507 -15.143
  184    HB3  GLU  26           HB3      GLU  26   8.024   2.579 -13.530
  185    HG2  GLU  26           HG2      GLU  26  10.242   2.237 -14.528
  186    HG3  GLU  26           HG3      GLU  26   9.546   2.086 -16.139
  187    H    THR  27           H        THR  27   5.955  -0.116 -15.888
  188    HA   THR  27           HA       THR  27   7.551  -0.192 -18.356
  189    HB   THR  27           HB       THR  27   7.824  -2.461 -17.695
  190    HG1  THR  27           HG1      THR  27   7.096  -3.331 -19.563
  191   HG21  THR  27          HG21      THR  27   4.808  -2.622 -17.362
  192   HG22  THR  27          HG22      THR  27   5.875  -4.040 -17.530
  193   HG23  THR  27          HG23      THR  27   6.070  -2.966 -16.154
  194    H    GLU  28           H        GLU  28   5.881  -0.792 -20.103
  195    HA   GLU  28           HA       GLU  28   4.198   1.524 -20.383
  196    HB2  GLU  28           HB2      GLU  28   5.648   0.096 -21.986
  197    HB3  GLU  28           HB3      GLU  28   4.285  -1.019 -22.062
  198    HG2  GLU  28           HG2      GLU  28   4.140   1.977 -22.732
  199    HG3  GLU  28           HG3      GLU  28   4.719   0.727 -23.831
  200    H    GLY  29           H        GLY  29   3.664  -1.812 -19.562
  201    HA2  GLY  29           HA2      GLY  29   0.769  -1.411 -18.996
  202    HA3  GLY  29           HA3      GLY  29   1.645  -2.970 -18.873
  203    H    GLY  30           H        GLY  30   3.106  -0.186 -17.534
  204    HA2  GLY  30           HA2      GLY  30   3.058   0.948 -15.603
  205    HA3  GLY  30           HA3      GLY  30   1.726  -0.031 -15.027
  206    H    LEU  31           H        LEU  31   2.502   0.082 -12.950
  207    HA   LEU  31           HA       LEU  31   5.319  -0.456 -12.357
  208    HB2  LEU  31           HB2      LEU  31   2.909   0.097 -10.574
  209    HB3  LEU  31           HB3      LEU  31   4.564  -0.123  -9.977
  210    HG   LEU  31           HG       LEU  31   3.604   2.136 -11.786
  211   HD11  LEU  31          HD11      LEU  31   4.568   2.144  -8.882
  212   HD12  LEU  31          HD12      LEU  31   3.960   3.532  -9.811
  213   HD13  LEU  31          HD13      LEU  31   2.868   2.202  -9.378
  214   HD21  LEU  31          HD21      LEU  31   5.938   1.668 -12.322
  215   HD22  LEU  31          HD22      LEU  31   5.887   3.100 -11.290
  216   HD23  LEU  31          HD23      LEU  31   6.346   1.537 -10.594
  217    H    LYS  32           H        LYS  32   6.003  -2.449 -12.600
  218    HA   LYS  32           HA       LYS  32   4.543  -4.814 -11.703
  219    HB2  LYS  32           HB2      LYS  32   6.168  -4.521 -13.736
  220    HB3  LYS  32           HB3      LYS  32   7.454  -4.650 -12.547
  221    HG2  LYS  32           HG2      LYS  32   5.872  -6.828 -11.865
  222    HG3  LYS  32           HG3      LYS  32   5.514  -6.666 -13.590
  223    HD2  LYS  32           HD2      LYS  32   7.271  -8.264 -13.309
  224    HD3  LYS  32           HD3      LYS  32   7.960  -6.825 -14.086
  225    HE2  LYS  32           HE2      LYS  32   9.014  -6.105 -12.059
  226    HE3  LYS  32           HE3      LYS  32   8.062  -7.245 -11.068
  227    HZ1  LYS  32           HZ1      LYS  32  10.360  -8.010 -11.474
  228    HZ2  LYS  32           HZ2      LYS  32   9.235  -9.071 -12.062
  229    HZ3  LYS  32           HZ3      LYS  32  10.066  -8.097 -13.081
  230    H    PHE  33           H        PHE  33   4.388  -5.173  -9.580
  231    HA   PHE  33           HA       PHE  33   6.478  -4.430  -7.631
  232    HB2  PHE  33           HB2      PHE  33   3.861  -3.904  -7.685
  233    HB3  PHE  33           HB3      PHE  33   3.705  -5.557  -7.085
  234    HD1  PHE  33           HD1      PHE  33   5.770  -2.516  -6.443
  235    HD2  PHE  33           HD2      PHE  33   3.284  -5.585  -4.770
  236    HE1  PHE  33           HE1      PHE  33   5.980  -1.441  -4.162
  237    HE2  PHE  33           HE2      PHE  33   3.488  -4.535  -2.520
  238    HZ   PHE  33           HZ       PHE  33   4.867  -2.494  -2.220
  239    H    THR  34           H        THR  34   7.982  -6.074  -7.088
  240    HA   THR  34           HA       THR  34   6.905  -8.886  -6.970
  241    HB   THR  34           HB       THR  34   9.685  -8.078  -7.794
  242    HG1  THR  34           HG1      THR  34   7.766  -9.445  -9.313
  243   HG21  THR  34          HG21      THR  34   8.357 -10.805  -7.492
  244   HG22  THR  34          HG22      THR  34   9.883 -10.518  -8.361
  245   HG23  THR  34          HG23      THR  34   9.777 -10.198  -6.625
  246    HA   PRO  35           HA       PRO  35   8.392  -8.050  -2.760
  247    HB2  PRO  35           HB2      PRO  35   6.863  -9.854  -1.424
  248    HB3  PRO  35           HB3      PRO  35   6.169  -8.358  -2.122
  249    HG2  PRO  35           HG2      PRO  35   6.162 -11.149  -3.263
  250    HG3  PRO  35           HG3      PRO  35   4.794  -9.998  -3.161
  251    HD2  PRO  35           HD2      PRO  35   6.339 -10.359  -5.417
  252    HD3  PRO  35           HD3      PRO  35   5.540  -8.805  -5.014
  253    H    HIS  36           H        HIS  36   9.557  -9.306  -1.129
  254    HA   HIS  36           HA       HIS  36  10.262 -12.076  -1.731
  255    HB2  HIS  36           HB2      HIS  36  12.548 -11.838  -2.158
  256    HB3  HIS  36           HB3      HIS  36  11.830 -10.531  -3.094
  257    HD1  HIS  36           HD1      HIS  36  14.748 -10.973  -1.062
  258    HD2  HIS  36           HD2      HIS  36  11.771  -8.069  -1.475
  259    HE1  HIS  36           HE1      HIS  36  15.699  -8.874   0.038
  260    H    LEU  37           H        LEU  37   8.802 -10.749   0.379
  261    HA   LEU  37           HA       LEU  37  10.611 -10.533   2.733
  262    HB2  LEU  37           HB2      LEU  37   7.612 -10.085   2.638
  263    HB3  LEU  37           HB3      LEU  37   8.783  -9.636   3.893
  264    HG   LEU  37           HG       LEU  37   9.792  -8.284   1.696
  265   HD11  LEU  37          HD11      LEU  37   6.742  -8.163   1.556
  266   HD12  LEU  37          HD12      LEU  37   7.861  -7.071   0.724
  267   HD13  LEU  37          HD13      LEU  37   7.840  -8.791   0.306
  268   HD21  LEU  37          HD21      LEU  37   9.495  -7.471   4.018
  269   HD22  LEU  37          HD22      LEU  37   8.982  -6.309   2.814
  270   HD23  LEU  37          HD23      LEU  37   7.757  -7.238   3.713
  271    H    LYS  38           H        LYS  38  10.415 -11.549   4.611
  272    HA   LYS  38           HA       LYS  38   8.600 -13.881   4.813
  273    HB2  LYS  38           HB2      LYS  38  10.297 -15.104   6.103
  274    HB3  LYS  38           HB3      LYS  38  10.738 -14.931   4.422
  275    HG2  LYS  38           HG2      LYS  38  11.881 -12.797   6.175
  276    HG3  LYS  38           HG3      LYS  38  12.347 -14.445   6.630
  277    HD2  LYS  38           HD2      LYS  38  13.989 -13.475   5.126
  278    HD3  LYS  38           HD3      LYS  38  13.193 -14.870   4.363
  279    HE2  LYS  38           HE2      LYS  38  11.708 -13.361   3.126
  280    HE3  LYS  38           HE3      LYS  38  12.435 -11.961   3.922
  281    HZ1  LYS  38           HZ1      LYS  38  13.874 -13.819   2.063
  282    HZ2  LYS  38           HZ2      LYS  38  13.298 -12.346   1.675
  283    HZ3  LYS  38           HZ3      LYS  38  14.529 -12.501   2.775
  284    H    ALA  39           H        ALA  39   7.647 -14.054   6.700
  285    HA   ALA  39           HA       ALA  39   7.276 -13.894   8.990
  286    HB1  ALA  39           HB1      ALA  39   8.927 -11.364   9.176
  287    HB2  ALA  39           HB2      ALA  39   8.393 -12.433  10.479
  288    HB3  ALA  39           HB3      ALA  39   9.621 -12.990   9.312
  289    H    LEU  40           H        LEU  40   5.488 -13.296   7.094
  290    HA   LEU  40           HA       LEU  40   3.918 -11.152   8.427
  291    HB2  LEU  40           HB2      LEU  40   2.968 -11.768   5.675
  292    HB3  LEU  40           HB3      LEU  40   3.014 -10.315   6.595
  293    HG   LEU  40           HG       LEU  40   5.576 -10.220   5.965
  294   HD11  LEU  40          HD11      LEU  40   4.570 -12.292   3.947
  295   HD12  LEU  40          HD12      LEU  40   6.100 -11.408   3.815
  296   HD13  LEU  40          HD13      LEU  40   5.860 -12.551   5.129
  297   HD21  LEU  40          HD21      LEU  40   3.805  -8.781   4.992
  298   HD22  LEU  40          HD22      LEU  40   4.997  -9.241   3.760
  299   HD23  LEU  40          HD23      LEU  40   3.417 -10.064   3.809
  300    HA   PRO  41           HA       PRO  41   0.984 -14.384   8.903
  301    HB2  PRO  41           HB2      PRO  41  -1.484 -13.126   8.560
  302    HB3  PRO  41           HB3      PRO  41  -0.518 -13.096  10.051
  303    HG2  PRO  41           HG2      PRO  41  -0.642 -11.071   7.858
  304    HG3  PRO  41           HG3      PRO  41  -0.691 -10.789   9.626
  305    HD2  PRO  41           HD2      PRO  41   1.618 -10.470   8.293
  306    HD3  PRO  41           HD3      PRO  41   1.538 -11.343   9.873
  307    HA   PRO  42           HA       PRO  42   0.356 -15.343   4.510
  308    HB2  PRO  42           HB2      PRO  42   0.309 -18.008   4.552
  309    HB3  PRO  42           HB3      PRO  42   1.720 -17.144   5.197
  310    HG2  PRO  42           HG2      PRO  42  -0.673 -18.053   6.867
  311    HG3  PRO  42           HG3      PRO  42   1.035 -18.507   7.023
  312    HD2  PRO  42           HD2      PRO  42  -0.057 -16.347   8.371
  313    HD3  PRO  42           HD3      PRO  42   1.653 -16.357   7.817
  314    H    GLY  43           H        GLY  43  -1.565 -14.021   5.008
  315    HA2  GLY  43           HA2      GLY  43  -2.891 -15.756   3.244
  316    HA3  GLY  43           HA3      GLY  43  -4.102 -14.828   4.188
  317    H    GLU  44           H        GLU  44  -4.530 -14.147   1.915
  318    HA   GLU  44           HA       GLU  44  -2.931 -12.330   0.415
  319    HB2  GLU  44           HB2      GLU  44  -5.954 -12.493   0.748
  320    HB3  GLU  44           HB3      GLU  44  -5.160 -11.533  -0.487
  321    HG2  GLU  44           HG2      GLU  44  -4.470 -13.378  -1.735
  322    HG3  GLU  44           HG3      GLU  44  -4.625 -14.506  -0.368
  323    H    HIS  45           H        HIS  45  -2.571 -10.210   0.514
  324    HA   HIS  45           HA       HIS  45  -3.946  -8.480   2.549
  325    HB2  HIS  45           HB2      HIS  45  -1.023  -9.012   1.926
  326    HB3  HIS  45           HB3      HIS  45  -1.482  -7.470   2.635
  327    HD1  HIS  45           HD1      HIS  45  -3.721  -8.719   4.711
  328    HD2  HIS  45           HD2      HIS  45  -0.112 -10.534   3.669
  329    HE1  HIS  45           HE1      HIS  45  -3.307 -10.532   6.464
  330    HE2  HIS  45           HE2      HIS  45  -1.088 -11.667   5.796
  331    H    GLY  46           H        GLY  46  -4.885  -6.756   1.631
  332    HA2  GLY  46           HA2      GLY  46  -4.660  -5.692  -0.839
  333    HA3  GLY  46           HA3      GLY  46  -4.972  -4.697   0.590
  334    H    PHE  47           H        PHE  47  -3.444  -3.982  -1.858
  335    HA   PHE  47           HA       PHE  47  -0.972  -2.949  -0.549
  336    HB2  PHE  47           HB2      PHE  47  -0.119  -4.678  -1.914
  337    HB3  PHE  47           HB3      PHE  47  -1.361  -4.423  -3.151
  338    HD1  PHE  47           HD1      PHE  47   1.198  -2.014  -1.722
  339    HD2  PHE  47           HD2      PHE  47  -0.176  -4.262  -5.118
  340    HE1  PHE  47           HE1      PHE  47   2.827  -0.815  -3.221
  341    HE2  PHE  47           HE2      PHE  47   1.400  -3.008  -6.594
  342    HZ   PHE  47           HZ       PHE  47   2.843  -1.241  -5.651
  343    H    HIS  48           H        HIS  48  -1.013  -0.704  -0.667
  344    HA   HIS  48           HA       HIS  48  -2.285   0.501  -3.125
  345    HB2  HIS  48           HB2      HIS  48  -2.404   1.889  -0.405
  346    HB3  HIS  48           HB3      HIS  48  -3.311   2.294  -1.854
  347    HD2  HIS  48           HD2      HIS  48  -4.837  -0.438  -2.372
  348    HE1  HIS  48           HE1      HIS  48  -6.377   0.003   1.553
  349    HE2  HIS  48           HE2      HIS  48  -6.680  -1.127  -0.739
  350    H    ILE  49           H        ILE  49  -1.733   2.755  -3.559
  351    HA   ILE  49           HA       ILE  49   0.831   3.783  -2.357
  352    HB   ILE  49           HB       ILE  49  -0.588   4.630  -4.909
  353   HG12  ILE  49          HG12      ILE  49   2.202   3.520  -4.980
  354   HG13  ILE  49          HG13      ILE  49   0.908   2.342  -4.732
  355   HG21  ILE  49          HG21      ILE  49   2.106   5.533  -3.754
  356   HG22  ILE  49          HG22      ILE  49   1.465   5.997  -5.331
  357   HG23  ILE  49          HG23      ILE  49   0.635   6.528  -3.865
  358   HD11  ILE  49          HD11      ILE  49   1.111   4.301  -7.047
  359   HD12  ILE  49          HD12      ILE  49   1.464   2.555  -7.081
  360   HD13  ILE  49          HD13      ILE  49  -0.195   3.114  -6.792
  361    H    HIS  50           H        HIS  50   0.781   5.672  -1.269
  362    HA   HIS  50           HA       HIS  50  -1.814   7.084  -0.808
  363    HB2  HIS  50           HB2      HIS  50   0.342   6.172   1.108
  364    HB3  HIS  50           HB3      HIS  50  -0.623   7.594   1.470
  365    HD1  HIS  50           HD1      HIS  50  -2.625   7.078   2.896
  366    HD2  HIS  50           HD2      HIS  50  -1.489   3.888   0.446
  367    HE1  HIS  50           HE1      HIS  50  -4.162   5.122   3.549
  368    H    ALA  51           H        ALA  51  -1.343   9.434   0.112
  369    HA   ALA  51           HA       ALA  51  -0.315  10.563  -2.309
  370    HB1  ALA  51           HB1      ALA  51  -1.469  11.948   0.138
  371    HB2  ALA  51           HB2      ALA  51  -1.349  12.617  -1.493
  372    HB3  ALA  51           HB3      ALA  51  -2.444  11.261  -1.162
  373    H    ASN  52           H        ASN  52   0.940  10.682   0.997
  374    HA   ASN  52           HA       ASN  52   3.365  12.105  -0.088
  375    HB2  ASN  52           HB2      ASN  52   2.229  12.201   2.721
  376    HB3  ASN  52           HB3      ASN  52   3.627  13.106   2.133
  377   HD21  ASN  52          HD21      ASN  52   1.018  14.066   3.293
  378   HD22  ASN  52          HD22      ASN  52   0.234  14.968   1.993
  379    H    GLY  53           H        GLY  53   5.404  11.521   0.618
  380    HA2  GLY  53           HA2      GLY  53   5.863   8.789   1.568
  381    HA3  GLY  53           HA3      GLY  53   7.086  10.017   1.143
  382    H    SER  54           H        SER  54   4.744   9.080   3.613
  383    HA   SER  54           HA       SER  54   6.433   9.945   5.863
  384    HB2  SER  54           HB2      SER  54   4.697  11.637   6.594
  385    HB3  SER  54           HB3      SER  54   5.729  12.088   5.239
  386    HG   SER  54           HG       SER  54   3.037  11.886   5.307
  387    H    CYS  55           H        CYS  55   5.759   7.408   5.665
  388    HA   CYS  55           HA       CYS  55   3.401   6.605   6.993
  389    HB2  CYS  55           HB2      CYS  55   6.109   5.271   6.660
  390    HB3  CYS  55           HB3      CYS  55   4.665   4.472   7.280
  391    H    GLN  56           H        GLN  56   3.496   8.403   8.488
  392    HA   GLN  56           HA       GLN  56   4.526   7.581  11.157
  393    HB2  GLN  56           HB2      GLN  56   4.548  10.351   9.843
  394    HB3  GLN  56           HB3      GLN  56   4.641  10.114  11.580
  395    HG2  GLN  56           HG2      GLN  56   6.850  10.367  11.033
  396    HG3  GLN  56           HG3      GLN  56   6.702   8.623  11.138
  397   HE21  GLN  56          HE21      GLN  56   7.113   7.380   9.130
  398   HE22  GLN  56          HE22      GLN  56   7.833   8.237   7.773
  399    HA   PRO  57           HA       PRO  57   0.267   8.242  12.184
  400    HB2  PRO  57           HB2      PRO  57   0.367   8.759  14.876
  401    HB3  PRO  57           HB3      PRO  57   0.575   7.138  14.156
  402    HG2  PRO  57           HG2      PRO  57   2.696   9.022  15.165
  403    HG3  PRO  57           HG3      PRO  57   2.635   7.226  15.259
  404    HD2  PRO  57           HD2      PRO  57   4.126   8.614  13.400
  405    HD3  PRO  57           HD3      PRO  57   3.456   6.974  13.137
  406    H    ALA  58           H        ALA  58  -1.062   9.856  11.945
  407    HA   ALA  58           HA       ALA  58  -0.341  12.649  12.708
  408    HB1  ALA  58           HB1      ALA  58  -2.645  11.537  11.031
  409    HB2  ALA  58           HB2      ALA  58  -2.328  13.253  11.356
  410    HB3  ALA  58           HB3      ALA  58  -1.178  12.313  10.398
  411    H    ILE  59           H        ILE  59  -2.346  13.816  13.667
  412    HA   ILE  59           HA       ILE  59  -3.822  12.037  15.598
  413    HB   ILE  59           HB       ILE  59  -3.502  15.062  15.654
  414   HG12  ILE  59          HG12      ILE  59  -1.345  14.114  16.190
  415   HG13  ILE  59          HG13      ILE  59  -2.091  14.750  17.641
  416   HG21  ILE  59          HG21      ILE  59  -4.817  13.097  17.579
  417   HG22  ILE  59          HG22      ILE  59  -4.466  14.794  17.970
  418   HG23  ILE  59          HG23      ILE  59  -5.597  14.407  16.674
  419   HD11  ILE  59          HD11      ILE  59  -1.899  11.798  16.887
  420   HD12  ILE  59          HD12      ILE  59  -0.959  12.646  18.121
  421   HD13  ILE  59          HD13      ILE  59  -2.700  12.426  18.344
  422    H    LYS  60           H        LYS  60  -5.879  11.602  15.132
  423    HA   LYS  60           HA       LYS  60  -7.435  13.509  13.415
  424    HB2  LYS  60           HB2      LYS  60  -7.470  10.623  13.517
  425    HB3  LYS  60           HB3      LYS  60  -9.006  11.208  14.149
  426    HG2  LYS  60           HG2      LYS  60  -9.340  10.962  11.833
  427    HG3  LYS  60           HG3      LYS  60  -9.212  12.699  12.114
  428    HD2  LYS  60           HD2      LYS  60  -6.775  12.553  11.356
  429    HD3  LYS  60           HD3      LYS  60  -7.071  10.843  10.976
  430    HE2  LYS  60           HE2      LYS  60  -8.999  11.613   9.494
  431    HE3  LYS  60           HE3      LYS  60  -8.453  13.276   9.747
  432    HZ1  LYS  60           HZ1      LYS  60  -6.898  11.078   8.499
  433    HZ2  LYS  60           HZ2      LYS  60  -7.553  12.349   7.713
  434    HZ3  LYS  60           HZ3      LYS  60  -6.282  12.571   8.761
  435    H    ASP  61           H        ASP  61  -8.262  11.520  16.281
  436    HA   ASP  61           HA       ASP  61  -8.830  14.021  17.804
  437    HB2  ASP  61           HB2      ASP  61 -10.920  12.807  16.996
  438    HB3  ASP  61           HB3      ASP  61 -10.477  11.470  18.048
  439    H    GLY  62           H        GLY  62  -7.185  14.091  19.154
  440    HA2  GLY  62           HA2      GLY  62  -5.859  13.692  20.963
  441    HA3  GLY  62           HA3      GLY  62  -6.876  12.286  21.312
  442    H    GLN  63           H        GLN  63  -6.248  10.674  19.103
  443    HA   GLN  63           HA       GLN  63  -3.676   9.660  20.200
  444    HB2  GLN  63           HB2      GLN  63  -4.649   7.465  19.957
  445    HB3  GLN  63           HB3      GLN  63  -5.753   8.528  20.811
  446    HG2  GLN  63           HG2      GLN  63  -6.690   8.821  18.229
  447    HG3  GLN  63           HG3      GLN  63  -6.057   7.184  18.157
  448   HE21  GLN  63          HE21      GLN  63  -8.480   9.321  19.692
  449   HE22  GLN  63          HE22      GLN  63  -9.415   7.998  20.384
  450    H    ALA  64           H        ALA  64  -2.365   8.163  18.991
  451    HA   ALA  64           HA       ALA  64  -1.501   9.403  16.555
  452    HB1  ALA  64           HB1      ALA  64  -0.559   7.001  18.195
  453    HB2  ALA  64           HB2      ALA  64   0.368   7.742  16.893
  454    HB3  ALA  64           HB3      ALA  64   0.005   8.679  18.351
  455    H    VAL  65           H        VAL  65  -2.875   9.046  14.846
  456    HA   VAL  65           HA       VAL  65  -3.875   6.337  14.289
  457    HB   VAL  65           HB       VAL  65  -4.880   7.329  12.207
  458   HG11  VAL  65          HG11      VAL  65  -5.744   8.396  14.924
  459   HG12  VAL  65          HG12      VAL  65  -6.761   8.258  13.473
  460   HG13  VAL  65          HG13      VAL  65  -6.132   6.799  14.250
  461   HG21  VAL  65          HG21      VAL  65  -3.450   9.491  12.250
  462   HG22  VAL  65          HG22      VAL  65  -5.192   9.657  11.967
  463   HG23  VAL  65          HG23      VAL  65  -4.525  10.017  13.563
  464    H    ALA  66           H        ALA  66  -1.899   5.351  14.221
  465    HA   ALA  66           HA       ALA  66  -0.318   4.088  13.119
  466    HB1  ALA  66           HB1      ALA  66  -2.636   4.125  11.147
  467    HB2  ALA  66           HB2      ALA  66  -1.365   2.874  11.245
  468    HB3  ALA  66           HB3      ALA  66  -2.485   3.115  12.596
  469    H    ALA  67           H        ALA  67  -1.186   4.875   9.905
  470    HA   ALA  67           HA       ALA  67   1.364   6.377   9.497
  471    HB1  ALA  67           HB1      ALA  67   0.169   4.210   7.719
  472    HB2  ALA  67           HB2      ALA  67   1.658   5.132   7.412
  473    HB3  ALA  67           HB3      ALA  67   1.579   4.031   8.790
  474    H    GLU  68           H        GLU  68  -1.419   7.380   9.920
  475    HA   GLU  68           HA       GLU  68  -2.376   8.249   7.296
  476    HB2  GLU  68           HB2      GLU  68  -3.391   8.935  10.060
  477    HB3  GLU  68           HB3      GLU  68  -4.212   9.280   8.548
  478    HG2  GLU  68           HG2      GLU  68  -3.617   6.479   9.610
  479    HG3  GLU  68           HG3      GLU  68  -5.158   7.318   9.709
  480    H    ALA  69           H        ALA  69   0.255   9.411   8.861
  481    HA   ALA  69           HA       ALA  69  -0.163  12.209   8.017
  482    HB1  ALA  69           HB1      ALA  69   2.391  10.718   8.747
  483    HB2  ALA  69           HB2      ALA  69   2.227  12.454   8.542
  484    HB3  ALA  69           HB3      ALA  69   1.398  11.646   9.896
  485    H    ALA  70           H        ALA  70   0.341   9.225   6.408
  486    HA   ALA  70           HA       ALA  70   1.889  10.117   4.174
  487    HB1  ALA  70           HB1      ALA  70  -0.058   7.799   4.406
  488    HB2  ALA  70           HB2      ALA  70   1.232   7.995   3.195
  489    HB3  ALA  70           HB3      ALA  70   1.656   7.780   4.898
  490    H    GLY  71           H        GLY  71  -0.471  11.873   4.821
  491    HA2  GLY  71           HA2      GLY  71  -1.418  13.491   3.499
  492    HA3  GLY  71           HA3      GLY  71  -0.956  12.571   2.075
  493    H    GLY  72           H        GLY  72  -2.347  10.279   2.301
  494    HA2  GLY  72           HA2      GLY  72  -5.036  10.069   2.783
  495    HA3  GLY  72           HA3      GLY  72  -5.004  11.199   1.437
  496    H    HIS  73           H        HIS  73  -6.279   9.317   0.573
  497    HA   HIS  73           HA       HIS  73  -4.751   6.962  -0.399
  498    HB2  HIS  73           HB2      HIS  73  -7.667   7.742  -0.177
  499    HB3  HIS  73           HB3      HIS  73  -7.202   6.585  -1.399
  500    HD2  HIS  73           HD2      HIS  73  -6.617   6.953   2.431
  501    HE1  HIS  73           HE1      HIS  73  -6.882   2.796   1.607
  502    HE2  HIS  73           HE2      HIS  73  -6.595   4.587   3.440
  503    H    LEU  74           H        LEU  74  -3.432   8.811  -1.432
  504    HA   LEU  74           HA       LEU  74  -3.036  10.406  -3.083
  505    HB2  LEU  74           HB2      LEU  74  -1.831   8.375  -3.577
  506    HB3  LEU  74           HB3      LEU  74  -3.168   7.766  -4.542
  507    HG   LEU  74           HG       LEU  74  -2.819   9.398  -6.271
  508   HD11  LEU  74          HD11      LEU  74  -0.738  10.682  -4.452
  509   HD12  LEU  74          HD12      LEU  74  -0.977  11.078  -6.167
  510   HD13  LEU  74          HD13      LEU  74  -2.258  11.415  -5.005
  511   HD21  LEU  74          HD21      LEU  74  -1.358   7.401  -6.256
  512   HD22  LEU  74          HD22      LEU  74  -0.558   8.799  -6.995
  513   HD23  LEU  74          HD23      LEU  74  -0.131   8.308  -5.343
  514    H    ASP  75           H        ASP  75  -5.040  11.387  -2.618
  515    HA   ASP  75           HA       ASP  75  -7.139  11.234  -4.695
  516    HB2  ASP  75           HB2      ASP  75  -8.600  11.734  -2.605
  517    HB3  ASP  75           HB3      ASP  75  -7.970  10.137  -2.871
  518    HA   PRO  76           HA       PRO  76  -6.084  15.793  -4.489
  519    HB2  PRO  76           HB2      PRO  76  -5.404  16.183  -7.103
  520    HB3  PRO  76           HB3      PRO  76  -4.215  15.718  -5.847
  521    HG2  PRO  76           HG2      PRO  76  -5.610  13.916  -7.844
  522    HG3  PRO  76           HG3      PRO  76  -3.875  13.956  -7.404
  523    HD2  PRO  76           HD2      PRO  76  -5.636  12.163  -6.310
  524    HD3  PRO  76           HD3      PRO  76  -4.256  12.833  -5.388
  525    H    GLN  77           H        GLN  77  -7.593  13.682  -7.007
  526    HA   GLN  77           HA       GLN  77 -10.196  14.713  -6.362
  527    HB2  GLN  77           HB2      GLN  77  -9.081  15.063  -9.190
  528    HB3  GLN  77           HB3      GLN  77 -10.799  15.063  -8.826
  529    HG2  GLN  77           HG2      GLN  77  -8.781  17.133  -7.914
  530    HG3  GLN  77           HG3      GLN  77 -10.047  17.328  -9.104
  531   HE21  GLN  77          HE21      GLN  77  -9.836  19.094  -6.900
  532   HE22  GLN  77          HE22      GLN  77 -11.288  18.819  -5.923
  533    H    ASN  78           H        ASN  78 -11.833  13.455  -7.364
  534    HA   ASN  78           HA       ASN  78 -12.385  11.935  -9.202
  535    HB2  ASN  78           HB2      ASN  78 -10.393  10.105  -7.846
  536    HB3  ASN  78           HB3      ASN  78 -11.801   9.436  -8.620
  537   HD21  ASN  78          HD21      ASN  78  -8.783  11.088  -9.286
  538   HD22  ASN  78          HD22      ASN  78  -8.858  10.792 -11.032
  539    H    THR  79           H        THR  79 -12.421  11.919  -5.812
  540    HA   THR  79           HA       THR  79 -14.792  12.036  -4.954
  541    HB   THR  79           HB       THR  79 -15.848  10.351  -6.320
  542    HG1  THR  79           HG1      THR  79 -16.729  10.746  -4.350
  543   HG21  THR  79          HG21      THR  79 -14.451   8.145  -4.747
  544   HG22  THR  79          HG22      THR  79 -15.574   8.002  -6.100
  545   HG23  THR  79          HG23      THR  79 -13.943   8.612  -6.386
  546    H    GLY  80           H        GLY  80 -12.519   9.339  -4.504
  547    HA2  GLY  80           HA2      GLY  80 -10.967   9.117  -2.716
  548    HA3  GLY  80           HA3      GLY  80 -11.901  10.273  -1.747
  549    H    LYS  81           H        LYS  81 -14.362   8.393  -2.682
  550    HA   LYS  81           HA       LYS  81 -14.660   7.105  -0.210
  551    HB2  LYS  81           HB2      LYS  81 -15.960   6.508  -2.903
  552    HB3  LYS  81           HB3      LYS  81 -16.467   5.769  -1.380
  553    HG2  LYS  81           HG2      LYS  81 -16.925   8.029  -0.426
  554    HG3  LYS  81           HG3      LYS  81 -16.464   8.757  -1.963
  555    HD2  LYS  81           HD2      LYS  81 -18.826   8.699  -1.942
  556    HD3  LYS  81           HD3      LYS  81 -18.328   7.433  -3.071
  557    HE2  LYS  81           HE2      LYS  81 -18.737   5.707  -1.335
  558    HE3  LYS  81           HE3      LYS  81 -19.097   6.971  -0.149
  559    HZ1  LYS  81           HZ1      LYS  81 -20.721   6.325  -2.546
  560    HZ2  LYS  81           HZ2      LYS  81 -21.147   6.128  -0.975
  561    HZ3  LYS  81           HZ3      LYS  81 -20.979   7.639  -1.568
  562    H    HIS  82           H        HIS  82 -12.908   5.847  -2.900
  563    HA   HIS  82           HA       HIS  82 -11.437   4.163  -3.124
  564    HB2  HIS  82           HB2      HIS  82 -10.684   4.478  -0.874
  565    HB3  HIS  82           HB3      HIS  82 -12.010   3.516  -0.224
  566    HD2  HIS  82           HD2      HIS  82 -12.094   0.858  -0.881
  567    HE1  HIS  82           HE1      HIS  82  -7.978   0.434  -1.705
  568    HE2  HIS  82           HE2      HIS  82 -10.146  -0.788  -1.352
  569    H    GLU  83           H        GLU  83 -11.767   2.484  -4.446
  570    HA   GLU  83           HA       GLU  83 -13.847   0.431  -3.757
  571    HB2  GLU  83           HB2      GLU  83 -12.751   1.438  -6.349
  572    HB3  GLU  83           HB3      GLU  83 -12.915  -0.307  -6.222
  573    HG2  GLU  83           HG2      GLU  83 -14.938   0.416  -7.138
  574    HG3  GLU  83           HG3      GLU  83 -15.295  -0.027  -5.473
  575    H    GLY  84           H        GLY  84 -10.467   0.625  -4.966
  576    HA2  GLY  84           HA2      GLY  84  -8.805  -1.144  -4.274
  577    HA3  GLY  84           HA3      GLY  84 -10.153  -2.275  -4.277
  578    HA   PRO  85           HA       PRO  85  -9.333  -2.756  -8.674
  579    HB2  PRO  85           HB2      PRO  85 -11.612  -3.883  -9.623
  580    HB3  PRO  85           HB3      PRO  85 -10.590  -4.680  -8.407
  581    HG2  PRO  85           HG2      PRO  85 -13.043  -2.964  -7.863
  582    HG3  PRO  85           HG3      PRO  85 -12.731  -4.648  -7.323
  583    HD2  PRO  85           HD2      PRO  85 -12.149  -2.536  -5.723
  584    HD3  PRO  85           HD3      PRO  85 -11.064  -3.953  -5.804
  585    H    GLU  86           H        GLU  86 -12.213  -2.266 -10.228
  586    HA   GLU  86           HA       GLU  86 -11.265   0.443 -11.017
  587    HB2  GLU  86           HB2      GLU  86 -11.494  -0.259 -13.311
  588    HB3  GLU  86           HB3      GLU  86 -10.410  -1.269 -12.373
  589    HG2  GLU  86           HG2      GLU  86 -12.448  -2.906 -12.154
  590    HG3  GLU  86           HG3      GLU  86 -13.116  -1.996 -13.514
  591    H    GLY  87           H        GLY  87 -13.230   0.650  -9.283
  592    HA2  GLY  87           HA2      GLY  87 -15.742   1.313 -10.726
  593    HA3  GLY  87           HA3      GLY  87 -15.392   1.594  -9.008
  594    H    GLN  88           H        GLN  88 -14.866   3.604  -8.400
  595    HA   GLN  88           HA       GLN  88 -13.415   5.401 -10.267
  596    HB2  GLN  88           HB2      GLN  88 -16.233   5.790  -9.471
  597    HB3  GLN  88           HB3      GLN  88 -15.246   7.158  -9.001
  598    HG2  GLN  88           HG2      GLN  88 -15.251   6.006 -11.821
  599    HG3  GLN  88           HG3      GLN  88 -16.338   7.280 -11.280
  600   HE21  GLN  88          HE21      GLN  88 -13.107   7.662  -9.865
  601   HE22  GLN  88          HE22      GLN  88 -12.606   8.850 -11.055
  602    H    GLY  89           H        GLY  89 -14.039   4.314  -7.017
  603    HA2  GLY  89           HA2      GLY  89 -12.731   6.519  -5.671
  604    HA3  GLY  89           HA3      GLY  89 -13.173   4.926  -5.004
  605    H    HIS  90           H        HIS  90 -10.773   6.737  -6.778
  606    HA   HIS  90           HA       HIS  90  -8.543   6.894  -6.497
  607    HB2  HIS  90           HB2      HIS  90  -8.890   6.814  -4.173
  608    HB3  HIS  90           HB3      HIS  90  -9.128   5.078  -4.160
  609    HD2  HIS  90           HD2      HIS  90  -6.097   6.992  -5.703
  610    HE1  HIS  90           HE1      HIS  90  -4.546   4.523  -2.624
  611    HE2  HIS  90           HE2      HIS  90  -3.974   6.144  -4.484
  612    H    LEU  91           H        LEU  91  -7.796   6.225  -8.425
  613    HA   LEU  91           HA       LEU  91  -7.515   3.522  -9.252
  614    HB2  LEU  91           HB2      LEU  91  -6.433   4.375 -11.182
  615    HB3  LEU  91           HB3      LEU  91  -7.792   5.384 -10.782
  616    HG   LEU  91           HG       LEU  91  -6.064   6.709 -11.678
  617   HD11  LEU  91          HD11      LEU  91  -6.029   7.341  -8.704
  618   HD12  LEU  91          HD12      LEU  91  -5.761   8.451 -10.054
  619   HD13  LEU  91          HD13      LEU  91  -7.364   7.739  -9.819
  620   HD21  LEU  91          HD21      LEU  91  -4.108   5.233 -11.089
  621   HD22  LEU  91          HD22      LEU  91  -3.838   6.972 -10.924
  622   HD23  LEU  91          HD23      LEU  91  -4.099   5.990  -9.482
  623    H    GLY  92           H        GLY  92  -5.492   5.236  -7.124
  624    HA2  GLY  92           HA2      GLY  92  -3.105   3.543  -7.543
  625    HA3  GLY  92           HA3      GLY  92  -3.282   4.875  -6.376
  626    H    ASP  93           H        ASP  93  -5.972   2.868  -6.177
  627    HA   ASP  93           HA       ASP  93  -4.867   0.984  -4.185
  628    HB2  ASP  93           HB2      ASP  93  -7.661   1.450  -5.304
  629    HB3  ASP  93           HB3      ASP  93  -7.237   0.248  -4.101
  630    H    LEU  94           H        LEU  94  -5.303  -1.448  -4.721
  631    HA   LEU  94           HA       LEU  94  -3.895  -1.756  -7.321
  632    HB2  LEU  94           HB2      LEU  94  -2.866  -0.580  -4.893
  633    HB3  LEU  94           HB3      LEU  94  -2.048  -2.112  -5.110
  634    HG   LEU  94           HG       LEU  94  -0.915  -1.391  -6.941
  635   HD11  LEU  94          HD11      LEU  94  -2.704   1.058  -7.206
  636   HD12  LEU  94          HD12      LEU  94  -1.237   0.765  -8.145
  637   HD13  LEU  94          HD13      LEU  94  -2.636  -0.300  -8.351
  638   HD21  LEU  94          HD21      LEU  94  -0.298  -0.379  -4.747
  639   HD22  LEU  94          HD22      LEU  94   0.300   0.475  -6.181
  640   HD23  LEU  94          HD23      LEU  94  -1.098   1.104  -5.283
  641    HA   PRO  95           HA       PRO  95  -4.707  -5.941  -6.909
  642    HB2  PRO  95           HB2      PRO  95  -2.552  -7.260  -8.011
  643    HB3  PRO  95           HB3      PRO  95  -3.712  -6.276  -8.954
  644    HG2  PRO  95           HG2      PRO  95  -1.021  -5.421  -7.840
  645    HG3  PRO  95           HG3      PRO  95  -1.655  -5.193  -9.501
  646    HD2  PRO  95           HD2      PRO  95  -1.766  -3.243  -7.628
  647    HD3  PRO  95           HD3      PRO  95  -3.123  -3.477  -8.777
  648    H    VAL  96           H        VAL  96  -4.558  -7.735  -5.625
  649    HA   VAL  96           HA       VAL  96  -3.524  -7.040  -3.076
  650    HB   VAL  96           HB       VAL  96  -4.766  -9.736  -3.667
  651   HG11  VAL  96          HG11      VAL  96  -4.908  -7.937  -1.267
  652   HG12  VAL  96          HG12      VAL  96  -5.707  -9.503  -1.437
  653   HG13  VAL  96          HG13      VAL  96  -3.939  -9.431  -1.400
  654   HG21  VAL  96          HG21      VAL  96  -6.266  -8.116  -4.748
  655   HG22  VAL  96          HG22      VAL  96  -6.988  -8.657  -3.234
  656   HG23  VAL  96          HG23      VAL  96  -6.197  -7.067  -3.313
  657    H    LEU  97           H        LEU  97  -1.901  -7.760  -1.842
  658    HA   LEU  97           HA       LEU  97   0.375  -9.087  -3.029
  659    HB2  LEU  97           HB2      LEU  97   0.126  -7.100  -1.287
  660    HB3  LEU  97           HB3      LEU  97  -0.066  -8.354  -0.110
  661    HG   LEU  97           HG       LEU  97   2.098  -8.024   0.200
  662   HD11  LEU  97          HD11      LEU  97   2.446  -9.713  -2.314
  663   HD12  LEU  97          HD12      LEU  97   3.626  -9.492  -1.011
  664   HD13  LEU  97          HD13      LEU  97   2.109 -10.349  -0.679
  665   HD21  LEU  97          HD21      LEU  97   2.200  -6.120  -1.248
  666   HD22  LEU  97          HD22      LEU  97   3.683  -7.091  -1.388
  667   HD23  LEU  97          HD23      LEU  97   2.448  -7.161  -2.675
  668    H    VAL  98           H        VAL  98  -0.096 -11.256  -3.428
  669    HA   VAL  98           HA       VAL  98  -1.381 -12.956  -1.440
  670    HB   VAL  98           HB       VAL  98   0.074 -13.799  -3.970
  671   HG11  VAL  98          HG11      VAL  98  -1.913 -15.287  -2.175
  672   HG12  VAL  98          HG12      VAL  98  -1.274 -15.883  -3.722
  673   HG13  VAL  98          HG13      VAL  98  -0.186 -15.669  -2.349
  674   HG21  VAL  98          HG21      VAL  98  -1.789 -12.339  -4.552
  675   HG22  VAL  98          HG22      VAL  98  -2.213 -14.008  -4.931
  676   HG23  VAL  98          HG23      VAL  98  -2.878 -13.239  -3.475
  677    H    VAL  99           H        VAL  99  -0.490 -13.807   0.231
  678    HA   VAL  99           HA       VAL  99   2.455 -14.197   0.524
  679    HB   VAL  99           HB       VAL  99   0.273 -14.272   2.646
  680   HG11  VAL  99          HG11      VAL  99   3.263 -13.847   2.941
  681   HG12  VAL  99          HG12      VAL  99   2.082 -13.861   4.253
  682   HG13  VAL  99          HG13      VAL  99   2.383 -15.361   3.340
  683   HG21  VAL  99          HG21      VAL  99   0.293 -11.979   1.858
  684   HG22  VAL  99          HG22      VAL  99   1.108 -12.108   3.433
  685   HG23  VAL  99          HG23      VAL  99   2.071 -11.922   1.950
  686    H    ASN 100           H        ASN 100   3.216 -16.331   0.697
  687    HA   ASN 100           HA       ASN 100   1.260 -18.516   0.350
  688    HB2  ASN 100           HB2      ASN 100   3.188 -19.966  -0.020
  689    HB3  ASN 100           HB3      ASN 100   3.080 -18.625  -1.143
  690   HD21  ASN 100          HD21      ASN 100   5.055 -20.100   1.447
  691   HD22  ASN 100          HD22      ASN 100   6.432 -19.086   1.135
  692    H    ASN 101           H        ASN 101   1.077 -20.282   1.654
  693    HA   ASN 101           HA       ASN 101   0.314 -20.016   4.187
  694    HB2  ASN 101           HB2      ASN 101   0.244 -22.366   4.390
  695    HB3  ASN 101           HB3      ASN 101   0.023 -22.008   2.674
  696   HD21  ASN 101          HD21      ASN 101   2.080 -22.050   1.343
  697   HD22  ASN 101          HD22      ASN 101   3.557 -22.548   2.111
  698    H    ASP 102           H        ASP 102   3.728 -20.426   3.460
  699    HA   ASP 102           HA       ASP 102   4.667 -21.306   6.009
  700    HB2  ASP 102           HB2      ASP 102   6.136 -19.788   3.812
  701    HB3  ASP 102           HB3      ASP 102   6.858 -20.818   5.051
  702    H    GLY 103           H        GLY 103   3.682 -18.175   4.907
  703    HA2  GLY 103           HA2      GLY 103   3.481 -16.223   6.282
  704    HA3  GLY 103           HA3      GLY 103   4.820 -16.782   7.312
  705    H    ILE 104           H        ILE 104   4.743 -16.670   3.751
  706    HA   ILE 104           HA       ILE 104   6.916 -14.630   3.675
  707    HB   ILE 104           HB       ILE 104   7.033 -17.445   2.485
  708   HG12  ILE 104          HG12      ILE 104   8.608 -16.185   4.767
  709   HG13  ILE 104          HG13      ILE 104   7.462 -17.499   4.899
  710   HG21  ILE 104          HG21      ILE 104   9.204 -15.309   2.388
  711   HG22  ILE 104          HG22      ILE 104   9.250 -16.910   1.645
  712   HG23  ILE 104          HG23      ILE 104   8.135 -15.716   1.024
  713   HD11  ILE 104          HD11      ILE 104  10.176 -17.687   3.567
  714   HD12  ILE 104          HD12      ILE 104   9.677 -18.365   5.119
  715   HD13  ILE 104          HD13      ILE 104   8.952 -18.987   3.630
  716    H    ALA 105           H        ALA 105   7.045 -13.512   1.712
  717    HA   ALA 105           HA       ALA 105   4.744 -13.895  -0.167
  718    HB1  ALA 105           HB1      ALA 105   5.894 -11.283   0.927
  719    HB2  ALA 105           HB2      ALA 105   4.583 -11.448  -0.258
  720    HB3  ALA 105           HB3      ALA 105   4.345 -12.022   1.405
  721    H    THR 106           H        THR 106   5.617 -14.566  -2.024
  722    HA   THR 106           HA       THR 106   7.821 -12.932  -3.233
  723    HB   THR 106           HB       THR 106   8.560 -15.229  -2.621
  724    HG1  THR 106           HG1      THR 106   8.346 -14.248  -5.235
  725   HG21  THR 106          HG21      THR 106   6.658 -16.142  -4.846
  726   HG22  THR 106          HG22      THR 106   7.857 -17.127  -3.991
  727   HG23  THR 106          HG23      THR 106   6.452 -16.501  -3.117
  728    H    GLU 107           H        GLU 107   4.535 -13.705  -3.563
  729    HA   GLU 107           HA       GLU 107   4.477 -14.280  -6.342
  730    HB2  GLU 107           HB2      GLU 107   2.222 -13.342  -4.567
  731    HB3  GLU 107           HB3      GLU 107   2.052 -14.181  -6.106
  732    HG2  GLU 107           HG2      GLU 107   3.319 -15.402  -3.595
  733    HG3  GLU 107           HG3      GLU 107   1.641 -15.577  -4.060
  734    HA   PRO 108           HA       PRO 108   4.760  -9.936  -7.503
  735    HB2  PRO 108           HB2      PRO 108   5.323 -10.174 -10.143
  736    HB3  PRO 108           HB3      PRO 108   6.468 -10.717  -8.878
  737    HG2  PRO 108           HG2      PRO 108   4.484 -12.406 -10.422
  738    HG3  PRO 108           HG3      PRO 108   6.230 -12.720 -10.146
  739    HD2  PRO 108           HD2      PRO 108   4.239 -13.824  -8.601
  740    HD3  PRO 108           HD3      PRO 108   5.853 -13.411  -7.953
  741    H    VAL 109           H        VAL 109   3.632  -8.332  -8.619
  742    HA   VAL 109           HA       VAL 109   1.217  -8.961 -10.214
  743    HB   VAL 109           HB       VAL 109  -0.198  -7.460  -8.854
  744   HG11  VAL 109          HG11      VAL 109   0.762  -9.808  -7.177
  745   HG12  VAL 109          HG12      VAL 109  -0.815  -9.005  -7.105
  746   HG13  VAL 109          HG13      VAL 109  -0.363  -9.923  -8.551
  747   HG21  VAL 109          HG21      VAL 109   1.479  -6.139  -7.654
  748   HG22  VAL 109          HG22      VAL 109   0.391  -6.924  -6.505
  749   HG23  VAL 109          HG23      VAL 109   2.017  -7.578  -6.756
  750    H    THR 110           H        THR 110   0.262  -6.841 -11.159
  751    HA   THR 110           HA       THR 110   2.311  -4.668 -11.360
  752    HB   THR 110           HB       THR 110   0.943  -5.987 -13.740
  753    HG1  THR 110           HG1      THR 110   2.828  -6.949 -14.072
  754   HG21  THR 110          HG21      THR 110   3.135  -3.846 -13.689
  755   HG22  THR 110          HG22      THR 110   2.465  -4.609 -15.139
  756   HG23  THR 110          HG23      THR 110   1.447  -3.568 -14.153
  757    H    ALA 111           H        ALA 111   1.467  -2.665 -11.373
  758    HA   ALA 111           HA       ALA 111  -1.502  -2.374 -11.467
  759    HB1  ALA 111           HB1      ALA 111   0.678  -0.551 -10.397
  760    HB2  ALA 111           HB2      ALA 111  -1.063  -0.216 -10.359
  761    HB3  ALA 111           HB3      ALA 111  -0.401  -1.597  -9.452
  762    HA   PRO 112           HA       PRO 112  -0.447  -0.592 -15.580
  763    HB2  PRO 112           HB2      PRO 112  -2.740  -1.182 -16.923
  764    HB3  PRO 112           HB3      PRO 112  -1.536  -2.437 -16.509
  765    HG2  PRO 112           HG2      PRO 112  -4.046  -1.700 -14.957
  766    HG3  PRO 112           HG3      PRO 112  -3.537  -3.327 -15.521
  767    HD2  PRO 112           HD2      PRO 112  -3.001  -2.484 -13.003
  768    HD3  PRO 112           HD3      PRO 112  -1.808  -3.447 -13.925
  769    H    ARG 113           H        ARG 113  -2.487   0.594 -13.192
  770    HA   ARG 113           HA       ARG 113  -3.697   2.751 -14.817
  771    HB2  ARG 113           HB2      ARG 113  -3.759   2.294 -11.803
  772    HB3  ARG 113           HB3      ARG 113  -4.574   3.587 -12.680
  773    HG2  ARG 113           HG2      ARG 113  -6.360   2.254 -12.806
  774    HG3  ARG 113           HG3      ARG 113  -5.497   1.424 -14.089
  775    HD2  ARG 113           HD2      ARG 113  -6.179  -0.315 -12.714
  776    HD3  ARG 113           HD3      ARG 113  -4.514  -0.080 -12.203
  777    HE   ARG 113           HE       ARG 113  -5.358   1.179 -10.227
  778   HH11  ARG 113          HH11      ARG 113  -7.914  -0.741 -11.899
  779   HH12  ARG 113          HH12      ARG 113  -8.939  -0.555 -10.492
  780   HH21  ARG 113          HH21      ARG 113  -6.609   0.856  -8.446
  781   HH22  ARG 113          HH22      ARG 113  -8.220   0.221  -8.594
  782    H    LEU 114           H        LEU 114  -0.675   2.221 -14.162
  783    HA   LEU 114           HA       LEU 114   0.242   5.007 -13.885
  784    HB2  LEU 114           HB2      LEU 114   1.137   2.682 -12.127
  785    HB3  LEU 114           HB3      LEU 114   1.966   4.237 -12.216
  786    HG   LEU 114           HG       LEU 114  -0.947   3.984 -11.331
  787   HD11  LEU 114          HD11      LEU 114   1.491   4.129  -9.553
  788   HD12  LEU 114          HD12      LEU 114  -0.219   4.099  -9.064
  789   HD13  LEU 114          HD13      LEU 114   0.496   2.672  -9.832
  790   HD21  LEU 114          HD21      LEU 114  -0.255   6.272 -12.044
  791   HD22  LEU 114          HD22      LEU 114  -0.557   6.181 -10.299
  792   HD23  LEU 114          HD23      LEU 114   1.109   6.196 -10.903
  793    H    LYS 115           H        LYS 115   2.704   4.933 -14.414
  794    HA   LYS 115           HA       LYS 115   3.720   2.753 -16.060
  795    HB2  LYS 115           HB2      LYS 115   3.741   3.904 -18.185
  796    HB3  LYS 115           HB3      LYS 115   2.139   3.476 -17.674
  797    HG2  LYS 115           HG2      LYS 115   3.206   6.285 -17.179
  798    HG3  LYS 115           HG3      LYS 115   2.658   5.794 -18.774
  799    HD2  LYS 115           HD2      LYS 115   0.636   6.516 -18.156
  800    HD3  LYS 115           HD3      LYS 115   0.503   4.966 -17.338
  801    HE2  LYS 115           HE2      LYS 115  -0.201   6.607 -15.760
  802    HE3  LYS 115           HE3      LYS 115   1.404   6.100 -15.240
  803    HZ1  LYS 115           HZ1      LYS 115   0.750   8.610 -16.624
  804    HZ2  LYS 115           HZ2      LYS 115   1.311   8.365 -15.065
  805    HZ3  LYS 115           HZ3      LYS 115   2.296   8.092 -16.327
  806    H    SER 116           H        SER 116   4.428   5.311 -14.088
  807    HA   SER 116           HA       SER 116   7.304   5.010 -14.820
  808    HB2  SER 116           HB2      SER 116   6.425   7.014 -15.969
  809    HB3  SER 116           HB3      SER 116   5.932   7.678 -14.401
  810    HG   SER 116           HG       SER 116   8.254   7.933 -15.579
  811    H    LEU 117           H        LEU 117   8.800   5.454 -13.062
  812    HA   LEU 117           HA       LEU 117   7.676   5.465 -10.327
  813    HB2  LEU 117           HB2      LEU 117  10.459   5.562 -11.530
  814    HB3  LEU 117           HB3      LEU 117  10.214   6.246  -9.943
  815    HG   LEU 117           HG       LEU 117  11.064   4.203  -9.506
  816   HD11  LEU 117          HD11      LEU 117   8.089   3.691  -9.140
  817   HD12  LEU 117          HD12      LEU 117   9.427   3.025  -8.196
  818   HD13  LEU 117          HD13      LEU 117   9.073   4.759  -8.107
  819   HD21  LEU 117          HD21      LEU 117  10.850   3.081 -11.637
  820   HD22  LEU 117          HD22      LEU 117  10.351   2.050 -10.289
  821   HD23  LEU 117          HD23      LEU 117   9.111   2.798 -11.336
  822    H    ASP 118           H        ASP 118   8.446   7.878 -12.743
  823    HA   ASP 118           HA       ASP 118   9.185  10.078 -11.162
  824    HB2  ASP 118           HB2      ASP 118   9.285   9.946 -13.637
  825    HB3  ASP 118           HB3      ASP 118   7.521  10.031 -13.717
  826    H    GLU 119           H        GLU 119   5.927   9.064 -12.096
  827    HA   GLU 119           HA       GLU 119   4.501  11.198 -10.814
  828    HB2  GLU 119           HB2      GLU 119   2.507   9.823 -11.300
  829    HB3  GLU 119           HB3      GLU 119   3.575  10.031 -12.688
  830    HG2  GLU 119           HG2      GLU 119   4.550   7.744 -12.173
  831    HG3  GLU 119           HG3      GLU 119   3.256   7.523 -10.993
  832    H    VAL 120           H        VAL 120   6.184   8.644  -9.361
  833    HA   VAL 120           HA       VAL 120   4.571   8.935  -6.897
  834    HB   VAL 120           HB       VAL 120   5.015   6.529  -6.344
  835   HG11  VAL 120          HG11      VAL 120   3.298   6.969  -8.801
  836   HG12  VAL 120          HG12      VAL 120   3.176   5.648  -7.627
  837   HG13  VAL 120          HG13      VAL 120   2.816   7.308  -7.131
  838   HG21  VAL 120          HG21      VAL 120   6.852   6.136  -8.036
  839   HG22  VAL 120          HG22      VAL 120   5.546   4.940  -8.095
  840   HG23  VAL 120          HG23      VAL 120   5.627   6.223  -9.316
  841    H    LYS 121           H        LYS 121   7.200  10.148  -7.866
  842    HA   LYS 121           HA       LYS 121   9.320   9.007  -6.405
  843    HB2  LYS 121           HB2      LYS 121  10.617  10.760  -7.201
  844    HB3  LYS 121           HB3      LYS 121   9.373  10.557  -8.431
  845    HG2  LYS 121           HG2      LYS 121   8.132  12.520  -7.388
  846    HG3  LYS 121           HG3      LYS 121   9.473  12.703  -6.255
  847    HD2  LYS 121           HD2      LYS 121  10.145  14.239  -7.805
  848    HD3  LYS 121           HD3      LYS 121  10.970  12.816  -8.428
  849    HE2  LYS 121           HE2      LYS 121   9.970  13.833 -10.327
  850    HE3  LYS 121           HE3      LYS 121   8.931  12.460  -9.958
  851    HZ1  LYS 121           HZ1      LYS 121   8.447  15.291  -9.209
  852    HZ2  LYS 121           HZ2      LYS 121   7.634  14.451 -10.358
  853    HZ3  LYS 121           HZ3      LYS 121   7.447  14.055  -8.773
  854    H    ASP 122           H        ASP 122   6.827  10.600  -4.903
  855    HA   ASP 122           HA       ASP 122   8.372  10.902  -2.403
  856    HB2  ASP 122           HB2      ASP 122   8.324  13.163  -3.523
  857    HB3  ASP 122           HB3      ASP 122   6.565  13.146  -3.398
  858    H    LYS 123           H        LYS 123   6.704   8.823  -3.176
  859    HA   LYS 123           HA       LYS 123   4.182   9.236  -1.602
  860    HB2  LYS 123           HB2      LYS 123   4.677   7.256  -3.850
  861    HB3  LYS 123           HB3      LYS 123   3.157   7.565  -3.021
  862    HG2  LYS 123           HG2      LYS 123   4.616   9.475  -4.877
  863    HG3  LYS 123           HG3      LYS 123   3.162   8.518  -5.227
  864    HD2  LYS 123           HD2      LYS 123   2.166   9.870  -3.212
  865    HD3  LYS 123           HD3      LYS 123   3.469  11.011  -3.563
  866    HE2  LYS 123           HE2      LYS 123   1.305  10.003  -5.470
  867    HE3  LYS 123           HE3      LYS 123   1.350  11.597  -4.707
  868    HZ1  LYS 123           HZ1      LYS 123   3.254  10.625  -6.778
  869    HZ2  LYS 123           HZ2      LYS 123   2.096  11.725  -6.958
  870    HZ3  LYS 123           HZ3      LYS 123   3.356  12.094  -5.988
  871    H    ALA 124           H        ALA 124   3.466   7.657  -0.232
  872    HA   ALA 124           HA       ALA 124   5.309   5.511   0.661
  873    HB1  ALA 124           HB1      ALA 124   2.618   6.525   1.660
  874    HB2  ALA 124           HB2      ALA 124   3.537   5.179   2.361
  875    HB3  ALA 124           HB3      ALA 124   4.211   6.816   2.393
  876    H    LEU 125           H        LEU 125   5.075   3.401   0.058
  877    HA   LEU 125           HA       LEU 125   2.479   2.524  -1.155
  878    HB2  LEU 125           HB2      LEU 125   5.328   1.567  -1.608
  879    HB3  LEU 125           HB3      LEU 125   3.976   0.456  -1.763
  880    HG   LEU 125           HG       LEU 125   2.897   1.942  -3.424
  881   HD11  LEU 125          HD11      LEU 125   5.478   3.508  -3.110
  882   HD12  LEU 125          HD12      LEU 125   4.409   3.679  -4.521
  883   HD13  LEU 125          HD13      LEU 125   3.818   4.134  -2.929
  884   HD21  LEU 125          HD21      LEU 125   4.387   0.112  -4.202
  885   HD22  LEU 125          HD22      LEU 125   4.391   1.482  -5.304
  886   HD23  LEU 125          HD23      LEU 125   5.749   1.240  -4.183
  887    H    MET 126           H        MET 126   1.364   0.957  -0.083
  888    HA   MET 126           HA       MET 126   2.464   0.154   2.601
  889    HB2  MET 126           HB2      MET 126  -0.238   1.366   1.899
  890    HB3  MET 126           HB3      MET 126   0.176   0.666   3.472
  891    HG2  MET 126           HG2      MET 126   1.975   2.300   3.781
  892    HG3  MET 126           HG3      MET 126   1.681   2.995   2.196
  893    HE1  MET 126           HE1      MET 126   1.738   5.277   3.817
  894    HE2  MET 126           HE2      MET 126   0.559   5.544   5.112
  895    HE3  MET 126           HE3      MET 126   1.760   4.241   5.238
  896    H    ILE 127           H        ILE 127   2.085  -1.810   3.279
  897    HA   ILE 127           HA       ILE 127   0.284  -3.663   1.752
  898    HB   ILE 127           HB       ILE 127   2.543  -4.220   3.712
  899   HG12  ILE 127          HG12      ILE 127   2.139  -4.973   0.776
  900   HG13  ILE 127          HG13      ILE 127   3.152  -3.655   1.337
  901   HG21  ILE 127          HG21      ILE 127   0.629  -6.213   2.405
  902   HG22  ILE 127          HG22      ILE 127   2.046  -6.632   3.393
  903   HG23  ILE 127          HG23      ILE 127   0.686  -5.818   4.139
  904   HD11  ILE 127          HD11      ILE 127   3.649  -6.616   1.805
  905   HD12  ILE 127          HD12      ILE 127   4.585  -5.492   0.813
  906   HD13  ILE 127          HD13      ILE 127   4.583  -5.309   2.577
  907    H    HIS 128           H        HIS 128  -1.473  -4.369   2.619
  908    HA   HIS 128           HA       HIS 128  -2.452  -3.121   5.137
  909    HB2  HIS 128           HB2      HIS 128  -2.987  -2.708   2.303
  910    HB3  HIS 128           HB3      HIS 128  -4.437  -3.230   3.029
  911    HD1  HIS 128           HD1      HIS 128  -5.450  -1.437   4.945
  912    HD2  HIS 128           HD2      HIS 128  -2.203  -0.344   2.541
  913    HE1  HIS 128           HE1      HIS 128  -5.510   1.116   4.792
  914    H    VAL 129           H        VAL 129  -4.041  -4.262   6.334
  915    HA   VAL 129           HA       VAL 129  -3.581  -7.080   6.187
  916    HB   VAL 129           HB       VAL 129  -5.635  -5.643   7.879
  917   HG11  VAL 129          HG11      VAL 129  -4.530  -8.487   8.057
  918   HG12  VAL 129          HG12      VAL 129  -5.452  -7.696   9.349
  919   HG13  VAL 129          HG13      VAL 129  -6.225  -8.017   7.796
  920   HG21  VAL 129          HG21      VAL 129  -3.291  -4.917   8.320
  921   HG22  VAL 129          HG22      VAL 129  -3.911  -5.875   9.668
  922   HG23  VAL 129          HG23      VAL 129  -2.794  -6.608   8.497
  923    H    GLY 130           H        GLY 130  -6.593  -5.233   5.412
  924    HA2  GLY 130           HA2      GLY 130  -7.969  -7.633   4.435
  925    HA3  GLY 130           HA3      GLY 130  -8.537  -5.956   4.314
  926    H    GLY 131           H        GLY 131  -8.099  -8.350   2.380
  927    HA2  GLY 131           HA2      GLY 131  -6.551  -7.443   0.167
  928    HA3  GLY 131           HA3      GLY 131  -7.915  -8.572   0.102
  929    H    ASP 132           H        ASP 132  -7.185  -6.445  -1.743
  930    HA   ASP 132           HA       ASP 132  -8.670  -4.100  -0.908
  931    HB2  ASP 132           HB2      ASP 132  -6.255  -4.159  -1.611
  932    HB3  ASP 132           HB3      ASP 132  -6.782  -4.456  -3.266
  933    H    ASN 133           H        ASN 133 -10.771  -5.035  -1.251
  934    HA   ASN 133           HA       ASN 133 -11.955  -4.345  -3.840
  935    HB2  ASN 133           HB2      ASN 133 -10.902  -6.624  -4.175
  936    HB3  ASN 133           HB3      ASN 133 -11.938  -7.247  -2.899
  937   HD21  ASN 133          HD21      ASN 133 -12.462  -8.734  -4.809
  938   HD22  ASN 133          HD22      ASN 133 -13.764  -8.184  -5.862
  939    H    MET 134           H        MET 134 -12.746  -2.930  -1.842
  940    HA   MET 134           HA       MET 134 -15.350  -3.950  -0.919
  941    HB2  MET 134           HB2      MET 134 -13.046  -3.571   1.017
  942    HB3  MET 134           HB3      MET 134 -14.736  -3.442   1.519
  943    HG2  MET 134           HG2      MET 134 -15.141  -5.747   0.639
  944    HG3  MET 134           HG3      MET 134 -13.416  -5.906   0.335
  945    HE1  MET 134           HE1      MET 134 -11.743  -4.934   2.514
  946    HE2  MET 134           HE2      MET 134 -11.760  -6.229   3.722
  947    HE3  MET 134           HE3      MET 134 -11.680  -6.627   1.990
  948    H    SER 135           H        SER 135 -16.734  -2.368  -1.085
  949    HA   SER 135           HA       SER 135 -16.174   0.398  -0.208
  950    HB2  SER 135           HB2      SER 135 -15.502   0.176  -2.604
  951    HB3  SER 135           HB3      SER 135 -17.164  -0.264  -3.003
  952    HG   SER 135           HG       SER 135 -16.438   2.019  -3.228
  953    H    ASP 136           H        ASP 136 -18.424   1.541  -1.084
  954    HA   ASP 136           HA       ASP 136 -20.615   1.960  -0.883
  955    HB2  ASP 136           HB2      ASP 136 -20.507  -0.187  -2.345
  956    HB3  ASP 136           HB3      ASP 136 -21.234  -0.996  -0.956
  957    H    GLN 137           H        GLN 137 -19.746  -0.670   1.321
  958    HA   GLN 137           HA       GLN 137 -21.811  -0.322   3.274
  959    HB2  GLN 137           HB2      GLN 137 -18.937  -1.350   3.477
  960    HB3  GLN 137           HB3      GLN 137 -20.056  -1.361   4.839
  961    HG2  GLN 137           HG2      GLN 137 -21.641  -2.768   3.502
  962    HG3  GLN 137           HG3      GLN 137 -20.428  -2.861   2.221
  963   HE21  GLN 137          HE21      GLN 137 -18.964  -4.586   2.379
  964   HE22  GLN 137          HE22      GLN 137 -18.716  -5.521   3.845
  965    HA   PRO 138           HA       PRO 138 -20.638   3.461   5.321
  966    HB2  PRO 138           HB2      PRO 138 -21.398   3.009   7.930
  967    HB3  PRO 138           HB3      PRO 138 -22.539   3.327   6.590
  968    HG2  PRO 138           HG2      PRO 138 -21.701   0.639   7.719
  969    HG3  PRO 138           HG3      PRO 138 -23.360   1.228   7.373
  970    HD2  PRO 138           HD2      PRO 138 -22.048  -0.353   5.620
  971    HD3  PRO 138           HD3      PRO 138 -23.051   1.008   5.036
  972    H    LYS 139           H        LYS 139 -19.320   0.387   6.406
  973    HA   LYS 139           HA       LYS 139 -16.780   1.801   7.122
  974    HB2  LYS 139           HB2      LYS 139 -17.814  -0.974   7.775
  975    HB3  LYS 139           HB3      LYS 139 -16.094  -0.572   7.826
  976    HG2  LYS 139           HG2      LYS 139 -16.452   1.188   9.453
  977    HG3  LYS 139           HG3      LYS 139 -18.204   0.970   9.406
  978    HD2  LYS 139           HD2      LYS 139 -16.339  -1.309  10.170
  979    HD3  LYS 139           HD3      LYS 139 -16.832  -0.112  11.363
  980    HE2  LYS 139           HE2      LYS 139 -18.902  -1.575   9.688
  981    HE3  LYS 139           HE3      LYS 139 -18.215  -2.333  11.122
  982    HZ1  LYS 139           HZ1      LYS 139 -19.414   0.373  11.288
  983    HZ2  LYS 139           HZ2      LYS 139 -20.317  -0.991  11.477
  984    HZ3  LYS 139           HZ3      LYS 139 -19.090  -0.666  12.500
  985    HA   PRO 140           HA       PRO 140 -16.087   0.379   2.755
  986    HB2  PRO 140           HB2      PRO 140 -14.445   2.417   1.974
  987    HB3  PRO 140           HB3      PRO 140 -16.229   2.551   1.968
  988    HG2  PRO 140           HG2      PRO 140 -14.302   3.487   4.120
  989    HG3  PRO 140           HG3      PRO 140 -15.635   4.412   3.352
  990    HD2  PRO 140           HD2      PRO 140 -15.952   3.169   5.743
  991    HD3  PRO 140           HD3      PRO 140 -17.279   3.208   4.545
  992    H    LEU 141           H        LEU 141 -13.942  -0.252   1.781
  993    HA   LEU 141           HA       LEU 141 -12.227  -1.702   1.960
  994    HB2  LEU 141           HB2      LEU 141 -11.309  -0.057   4.369
  995    HB3  LEU 141           HB3      LEU 141 -10.421  -1.354   3.610
  996    HG   LEU 141           HG       LEU 141 -10.413  -0.053   1.457
  997   HD11  LEU 141          HD11      LEU 141 -11.363   2.188   3.307
  998   HD12  LEU 141          HD12      LEU 141 -10.543   2.474   1.760
  999   HD13  LEU 141          HD13      LEU 141 -12.105   1.663   1.778
 1000   HD21  LEU 141          HD21      LEU 141  -8.470  -0.281   2.960
 1001   HD22  LEU 141          HD22      LEU 141  -8.503   1.311   2.190
 1002   HD23  LEU 141          HD23      LEU 141  -9.010   1.138   3.888
 1003    H    GLY 142           H        GLY 142 -14.804  -1.894   3.796
 1004    HA2  GLY 142           HA2      GLY 142 -15.731  -3.454   5.230
 1005    HA3  GLY 142           HA3      GLY 142 -14.237  -4.423   5.119
 1006    H    GLY 143           H        GLY 143 -13.462  -1.252   5.981
 1007    HA2  GLY 143           HA2      GLY 143 -12.920  -0.331   8.123
 1008    HA3  GLY 143           HA3      GLY 143 -13.212  -1.915   8.889
 1009    H    GLY 144           H        GLY 144 -11.435  -2.457   6.084
 1010    HA2  GLY 144           HA2      GLY 144  -9.110  -3.308   7.490
 1011    HA3  GLY 144           HA3      GLY 144  -9.376  -3.330   5.734
 1012    H    GLY 145           H        GLY 145  -9.164  -0.529   7.944
 1013    HA2  GLY 145           HA2      GLY 145  -7.174   0.865   6.335
 1014    HA3  GLY 145           HA3      GLY 145  -7.762   1.325   7.951
 1015    H    THR 146           H        THR 146  -6.938  -1.619   8.715
 1016    HA   THR 146           HA       THR 146  -4.474  -1.038   9.982
 1017    HB   THR 146           HB       THR 146  -4.529  -3.618  10.330
 1018    HG1  THR 146           HG1      THR 146  -6.623  -4.461   9.927
 1019   HG21  THR 146          HG21      THR 146  -6.884  -1.896  11.245
 1020   HG22  THR 146          HG22      THR 146  -6.322  -3.398  12.004
 1021   HG23  THR 146          HG23      THR 146  -5.288  -1.963  12.022
 1022    H    ARG 147           H        ARG 147  -2.440  -1.526   9.595
 1023    HA   ARG 147           HA       ARG 147  -1.627  -2.213   6.815
 1024    HB2  ARG 147           HB2      ARG 147   0.046  -0.998   9.042
 1025    HB3  ARG 147           HB3      ARG 147   0.464  -1.131   7.340
 1026    HG2  ARG 147           HG2      ARG 147  -1.603   0.724   8.585
 1027    HG3  ARG 147           HG3      ARG 147  -0.054   1.137   7.856
 1028    HD2  ARG 147           HD2      ARG 147  -1.053   0.058   5.684
 1029    HD3  ARG 147           HD3      ARG 147  -2.615   0.270   6.484
 1030    HE   ARG 147           HE       ARG 147  -0.848   2.305   5.354
 1031   HH11  ARG 147          HH11      ARG 147  -3.701   2.016   7.532
 1032   HH12  ARG 147          HH12      ARG 147  -3.858   3.775   7.502
 1033   HH21  ARG 147          HH21      ARG 147  -1.293   4.489   5.449
 1034   HH22  ARG 147          HH22      ARG 147  -2.667   5.032   6.425
 1035    H    TYR 148           H        TYR 148   0.231  -3.615   6.541
 1036    HA   TYR 148           HA       TYR 148   1.311  -4.769   9.063
 1037    HB2  TYR 148           HB2      TYR 148   0.099  -6.512   7.464
 1038    HB3  TYR 148           HB3      TYR 148   1.610  -6.497   6.555
 1039    HD1  TYR 148           HD1      TYR 148   0.075  -7.166   9.869
 1040    HD2  TYR 148           HD2      TYR 148   3.630  -7.476   7.446
 1041    HE1  TYR 148           HE1      TYR 148   1.086  -8.685  11.553
 1042    HE2  TYR 148           HE2      TYR 148   4.644  -9.002   9.120
 1043    HH   TYR 148           HH       TYR 148   2.917  -9.906  12.135
 1044    H    ALA 149           H        ALA 149   1.979  -3.052   6.076
 1045    HA   ALA 149           HA       ALA 149   4.492  -2.298   7.232
 1046    HB1  ALA 149           HB1      ALA 149   4.621  -3.933   4.657
 1047    HB2  ALA 149           HB2      ALA 149   5.980  -3.073   5.393
 1048    HB3  ALA 149           HB3      ALA 149   5.247  -4.437   6.240
 1049    H    CYS 150           H        CYS 150   5.706  -0.701   5.984
 1050    HA   CYS 150           HA       CYS 150   4.390   0.489   3.640
 1051    HB2  CYS 150           HB2      CYS 150   3.677   2.088   5.215
 1052    HB3  CYS 150           HB3      CYS 150   5.176   2.000   6.129
 1053    H    GLY 151           H        GLY 151   5.758   1.228   2.163
 1054    HA2  GLY 151           HA2      GLY 151   8.700   1.360   2.609
 1055    HA3  GLY 151           HA3      GLY 151   8.070   0.498   1.191
 1056    H    VAL 152           H        VAL 152   8.647   3.583   2.577
 1057    HA   VAL 152           HA       VAL 152   7.314   5.224   0.588
 1058    HB   VAL 152           HB       VAL 152   9.648   5.879   2.433
 1059   HG11  VAL 152          HG11      VAL 152   7.961   7.726   0.688
 1060   HG12  VAL 152          HG12      VAL 152   9.061   8.275   1.972
 1061   HG13  VAL 152          HG13      VAL 152   9.710   7.444   0.560
 1062   HG21  VAL 152          HG21      VAL 152   7.591   5.408   3.685
 1063   HG22  VAL 152          HG22      VAL 152   7.939   7.136   3.739
 1064   HG23  VAL 152          HG23      VAL 152   6.674   6.529   2.652
 1065    H    ILE 153           H        ILE 153   7.970   5.769  -1.423
 1066    HA   ILE 153           HA       ILE 153  10.060   4.266  -2.700
 1067    HB   ILE 153           HB       ILE 153   8.187   6.433  -3.544
 1068   HG12  ILE 153          HG12      ILE 153   8.846   3.705  -4.752
 1069   HG13  ILE 153          HG13      ILE 153   7.772   3.835  -3.372
 1070   HG21  ILE 153          HG21      ILE 153  10.523   5.454  -5.257
 1071   HG22  ILE 153          HG22      ILE 153   9.147   6.401  -5.847
 1072   HG23  ILE 153          HG23      ILE 153  10.253   7.120  -4.693
 1073   HD11  ILE 153          HD11      ILE 153   7.334   5.153  -6.087
 1074   HD12  ILE 153          HD12      ILE 153   6.510   3.721  -5.483
 1075   HD13  ILE 153          HD13      ILE 153   6.234   5.292  -4.695
 1076    H    LYS 154           H        LYS 154  12.107   4.457  -2.879
 1077    HA   LYS 154           HA       LYS 154  13.436   6.979  -1.957
 1078    HB2  LYS 154           HB2      LYS 154  14.575   4.211  -2.483
 1079    HB3  LYS 154           HB3      LYS 154  15.480   5.589  -1.878
 1080    HG2  LYS 154           HG2      LYS 154  13.215   4.153  -0.418
 1081    HG3  LYS 154           HG3      LYS 154  14.936   4.008  -0.119
 1082    HD2  LYS 154           HD2      LYS 154  14.312   5.408   1.584
 1083    HD3  LYS 154           HD3      LYS 154  14.889   6.571   0.386
 1084    HE2  LYS 154           HE2      LYS 154  12.519   7.001  -0.298
 1085    HE3  LYS 154           HE3      LYS 154  11.972   5.776   0.844
 1086    HZ1  LYS 154           HZ1      LYS 154  13.440   8.216   1.645
 1087    HZ2  LYS 154           HZ2      LYS 154  11.806   8.076   1.660
 1088    HZ3  LYS 154           HZ3      LYS 154  12.707   7.129   2.648
  Start of MODEL   26
    1    H1   ALA   1           H1       ALA   1  15.387   1.446 -14.861
    2    H2   ALA   1           H2       ALA   1  15.410   3.087 -14.889
    3    H3   ALA   1           H3       ALA   1  13.982   2.327 -14.705
    4    HA   ALA   1           HA       ALA   1  16.200   2.247 -12.788
    5    HB1  ALA   1           HB1      ALA   1  13.514   3.680 -12.589
    6    HB2  ALA   1           HB2      ALA   1  14.790   3.659 -11.353
    7    HB3  ALA   1           HB3      ALA   1  15.069   4.469 -12.907
    8    H    SER   2           H        SER   2  15.674   1.163 -10.758
    9    HA   SER   2           HA       SER   2  13.193  -0.357 -10.529
   10    HB2  SER   2           HB2      SER   2  15.815  -1.864 -10.357
   11    HB3  SER   2           HB3      SER   2  14.187  -2.531 -10.263
   12    HG   SER   2           HG       SER   2  14.007  -2.229 -12.541
   13    H    GLU   3           H        GLU   3  12.679  -0.455  -8.337
   14    HA   GLU   3           HA       GLU   3  14.760   0.503  -6.410
   15    HB2  GLU   3           HB2      GLU   3  13.038   2.268  -7.265
   16    HB3  GLU   3           HB3      GLU   3  11.884   1.430  -6.194
   17    HG2  GLU   3           HG2      GLU   3  13.602   1.704  -4.330
   18    HG3  GLU   3           HG3      GLU   3  14.566   2.658  -5.488
   19    H    LYS   4           H        LYS   4  15.122  -1.102  -5.019
   20    HA   LYS   4           HA       LYS   4  12.950  -2.926  -4.243
   21    HB2  LYS   4           HB2      LYS   4  14.543  -4.254  -3.158
   22    HB3  LYS   4           HB3      LYS   4  15.055  -3.893  -4.795
   23    HG2  LYS   4           HG2      LYS   4  16.802  -2.386  -3.990
   24    HG3  LYS   4           HG3      LYS   4  16.187  -2.473  -2.346
   25    HD2  LYS   4           HD2      LYS   4  17.899  -3.914  -2.140
   26    HD3  LYS   4           HD3      LYS   4  16.629  -5.062  -2.521
   27    HE2  LYS   4           HE2      LYS   4  18.606  -3.856  -4.518
   28    HE3  LYS   4           HE3      LYS   4  18.850  -5.400  -3.707
   29    HZ1  LYS   4           HZ1      LYS   4  16.545  -4.865  -5.483
   30    HZ2  LYS   4           HZ2      LYS   4  17.961  -5.512  -5.978
   31    HZ3  LYS   4           HZ3      LYS   4  17.033  -6.342  -4.916
   32    H    VAL   5           H        VAL   5  11.476  -1.445  -3.407
   33    HA   VAL   5           HA       VAL   5  12.295   0.422  -1.392
   34    HB   VAL   5           HB       VAL   5   9.465  -0.518  -1.975
   35   HG11  VAL   5          HG11      VAL   5  10.622   1.928  -0.564
   36   HG12  VAL   5          HG12      VAL   5   8.930   1.810  -1.082
   37   HG13  VAL   5          HG13      VAL   5   9.559   0.691   0.138
   38   HG21  VAL   5          HG21      VAL   5  10.435   0.328  -4.037
   39   HG22  VAL   5          HG22      VAL   5   9.350   1.574  -3.379
   40   HG23  VAL   5          HG23      VAL   5  11.105   1.741  -3.193
   41    H    GLY   6           H        GLY   6  12.752   0.095   0.638
   42    HA2  GLY   6           HA2      GLY   6  12.396  -2.397   2.045
   43    HA3  GLY   6           HA3      GLY   6  13.039  -0.871   2.712
   44    H    MET   7           H        MET   7  10.342  -2.938   2.362
   45    HA   MET   7           HA       MET   7   8.265  -1.179   3.370
   46    HB2  MET   7           HB2      MET   7   8.451  -4.197   3.142
   47    HB3  MET   7           HB3      MET   7   6.973  -3.302   3.534
   48    HG2  MET   7           HG2      MET   7   8.584  -3.002   0.974
   49    HG3  MET   7           HG3      MET   7   7.133  -3.998   1.150
   50    HE1  MET   7           HE1      MET   7   5.630  -1.408   3.084
   51    HE2  MET   7           HE2      MET   7   4.527  -0.969   1.761
   52    HE3  MET   7           HE3      MET   7   4.841  -2.682   2.130
   53    H    ASN   8           H        ASN   8   8.742  -0.312   5.365
   54    HA   ASN   8           HA       ASN   8   9.749  -1.952   7.589
   55    HB2  ASN   8           HB2      ASN   8   9.864   0.768   7.013
   56    HB3  ASN   8           HB3      ASN   8   8.620   0.695   8.272
   57   HD21  ASN   8          HD21      ASN   8  12.025   0.113   7.484
   58   HD22  ASN   8          HD22      ASN   8  12.530  -0.167   9.157
   59    H    LEU   9           H        LEU   9   8.558  -2.649   9.347
   60    HA   LEU   9           HA       LEU   9   5.694  -3.120   8.994
   61    HB2  LEU   9           HB2      LEU   9   7.586  -3.541  11.356
   62    HB3  LEU   9           HB3      LEU   9   5.919  -4.109  11.304
   63    HG   LEU   9           HG       LEU   9   8.101  -5.005   9.353
   64   HD11  LEU   9          HD11      LEU   9   6.947  -6.421  11.790
   65   HD12  LEU   9          HD12      LEU   9   8.055  -7.142  10.611
   66   HD13  LEU   9          HD13      LEU   9   8.602  -5.786  11.616
   67   HD21  LEU   9          HD21      LEU   9   5.905  -5.210   8.333
   68   HD22  LEU   9          HD22      LEU   9   6.462  -6.809   8.825
   69   HD23  LEU   9          HD23      LEU   9   5.249  -5.958   9.810
   70    H    VAL  10           H        VAL  10   3.996  -1.930   9.799
   71    HA   VAL  10           HA       VAL  10   4.522   0.248  11.737
   72    HB   VAL  10           HB       VAL  10   3.644   2.050  10.498
   73   HG11  VAL  10          HG11      VAL  10   5.512   0.754   8.508
   74   HG12  VAL  10          HG12      VAL  10   5.214   2.475   8.763
   75   HG13  VAL  10          HG13      VAL  10   6.042   1.540  10.009
   76   HG21  VAL  10          HG21      VAL  10   1.831   1.056   9.286
   77   HG22  VAL  10          HG22      VAL  10   2.853   1.937   8.156
   78   HG23  VAL  10          HG23      VAL  10   2.952   0.158   8.234
   79    H    THR  11           H        THR  11   2.809   1.401  12.441
   80    HA   THR  11           HA       THR  11   0.072   0.818  12.151
   81    HB   THR  11           HB       THR  11   0.638  -1.371  13.118
   82    HG1  THR  11           HG1      THR  11  -0.962  -1.327  14.599
   83   HG21  THR  11          HG21      THR  11   1.416   0.111  15.661
   84   HG22  THR  11          HG22      THR  11   1.319  -1.639  15.426
   85   HG23  THR  11          HG23      THR  11   2.560  -0.709  14.575
   86    H    ALA  12           H        ALA  12  -0.598   1.407  14.791
   87    HA   ALA  12           HA       ALA  12  -0.416   4.286  14.922
   88    HB1  ALA  12           HB1      ALA  12  -1.232   2.271  17.069
   89    HB2  ALA  12           HB2      ALA  12  -1.579   4.017  17.075
   90    HB3  ALA  12           HB3      ALA  12  -2.306   2.981  15.838
   91    H    GLN  13           H        GLN  13   1.743   1.851  16.202
   92    HA   GLN  13           HA       GLN  13   3.206   3.622  18.017
   93    HB2  GLN  13           HB2      GLN  13   3.782   0.926  16.700
   94    HB3  GLN  13           HB3      GLN  13   4.961   1.803  17.698
   95    HG2  GLN  13           HG2      GLN  13   3.809  -0.073  18.839
   96    HG3  GLN  13           HG3      GLN  13   3.906   1.500  19.663
   97   HE21  GLN  13          HE21      GLN  13   2.014   2.485  20.338
   98   HE22  GLN  13          HE22      GLN  13   0.475   2.103  19.557
   99    H    GLY  14           H        GLY  14   2.996   3.582  14.578
  100    HA2  GLY  14           HA2      GLY  14   4.142   4.974  13.098
  101    HA3  GLY  14           HA3      GLY  14   5.401   5.277  14.333
  102    H    VAL  15           H        VAL  15   7.237   4.614  13.466
  103    HA   VAL  15           HA       VAL  15   7.400   2.460  11.475
  104    HB   VAL  15           HB       VAL  15   9.539   4.353  12.525
  105   HG11  VAL  15          HG11      VAL  15   9.560   2.523  10.082
  106   HG12  VAL  15          HG12      VAL  15  10.807   3.732  10.483
  107   HG13  VAL  15          HG13      VAL  15  10.567   2.333  11.533
  108   HG21  VAL  15          HG21      VAL  15   7.781   5.607  11.359
  109   HG22  VAL  15          HG22      VAL  15   9.233   5.541  10.363
  110   HG23  VAL  15          HG23      VAL  15   7.857   4.483   9.985
  111    H    GLY  16           H        GLY  16   8.200   0.467  11.802
  112    HA2  GLY  16           HA2      GLY  16   9.036  -0.355  14.557
  113    HA3  GLY  16           HA3      GLY  16   8.278  -1.362  13.294
  114    H    GLN  17           H        GLN  17   9.527  -2.517  11.943
  115    HA   GLN  17           HA       GLN  17  12.288  -1.837  11.442
  116    HB2  GLN  17           HB2      GLN  17  13.308  -3.903  12.011
  117    HB3  GLN  17           HB3      GLN  17  12.543  -3.286  13.459
  118    HG2  GLN  17           HG2      GLN  17  11.094  -5.056  13.629
  119    HG3  GLN  17           HG3      GLN  17  10.870  -5.207  11.875
  120   HE21  GLN  17          HE21      GLN  17  12.922  -6.096  10.605
  121   HE22  GLN  17          HE22      GLN  17  13.731  -7.392  11.479
  122    H    SER  18           H        SER  18  13.191  -3.446   9.697
  123    HA   SER  18           HA       SER  18  10.988  -3.941   7.732
  124    HB2  SER  18           HB2      SER  18  12.519  -2.457   6.796
  125    HB3  SER  18           HB3      SER  18  13.919  -3.297   7.501
  126    HG   SER  18           HG       SER  18  14.058  -4.318   5.724
  127    H    ILE  19           H        ILE  19  10.586  -5.900   6.926
  128    HA   ILE  19           HA       ILE  19  12.285  -8.234   7.727
  129    HB   ILE  19           HB       ILE  19  10.304  -9.618   7.810
  130   HG12  ILE  19          HG12      ILE  19   8.365  -8.446   8.575
  131   HG13  ILE  19          HG13      ILE  19   8.909  -6.891   7.955
  132   HG21  ILE  19          HG21      ILE  19  10.623  -7.400   9.882
  133   HG22  ILE  19          HG22      ILE  19   9.926  -9.007  10.150
  134   HG23  ILE  19          HG23      ILE  19  11.639  -8.854   9.760
  135   HD11  ILE  19          HD11      ILE  19   8.322  -9.403   6.309
  136   HD12  ILE  19          HD12      ILE  19   7.247  -7.997   6.471
  137   HD13  ILE  19          HD13      ILE  19   8.817  -7.809   5.681
  138    H    GLY  20           H        GLY  20  11.511  -6.444   5.246
  139    HA2  GLY  20           HA2      GLY  20  13.082  -7.676   3.420
  140    HA3  GLY  20           HA3      GLY  20  11.500  -8.360   3.020
  141    H    THR  21           H        THR  21  12.670  -6.977   1.047
  142    HA   THR  21           HA       THR  21  11.355  -4.292   0.997
  143    HB   THR  21           HB       THR  21  12.656  -3.685  -0.825
  144    HG1  THR  21           HG1      THR  21  13.494  -6.383  -1.027
  145   HG21  THR  21          HG21      THR  21  14.624  -5.351   0.785
  146   HG22  THR  21          HG22      THR  21  14.959  -3.924  -0.214
  147   HG23  THR  21          HG23      THR  21  14.013  -3.756   1.271
  148    H    VAL  22           H        VAL  22  10.347  -3.817  -1.199
  149    HA   VAL  22           HA       VAL  22   9.637  -6.283  -2.700
  150    HB   VAL  22           HB       VAL  22   7.760  -3.874  -2.551
  151   HG11  VAL  22          HG11      VAL  22   7.670  -6.536  -4.039
  152   HG12  VAL  22          HG12      VAL  22   6.317  -5.456  -3.938
  153   HG13  VAL  22          HG13      VAL  22   7.774  -4.926  -4.795
  154   HG21  VAL  22          HG21      VAL  22   7.589  -5.352  -0.526
  155   HG22  VAL  22          HG22      VAL  22   6.143  -5.448  -1.545
  156   HG23  VAL  22          HG23      VAL  22   7.358  -6.743  -1.605
  157    H    VAL  23           H        VAL  23  10.413  -6.206  -4.728
  158    HA   VAL  23           HA       VAL  23  11.765  -3.710  -5.512
  159    HB   VAL  23           HB       VAL  23  12.975  -5.754  -5.580
  160   HG11  VAL  23          HG11      VAL  23  11.402  -6.619  -7.966
  161   HG12  VAL  23          HG12      VAL  23  13.001  -7.237  -7.513
  162   HG13  VAL  23          HG13      VAL  23  11.678  -7.462  -6.393
  163   HG21  VAL  23          HG21      VAL  23  13.629  -3.693  -6.842
  164   HG22  VAL  23          HG22      VAL  23  14.223  -5.165  -7.621
  165   HG23  VAL  23          HG23      VAL  23  12.795  -4.332  -8.273
  166    H    ILE  24           H        ILE  24  10.880  -2.227  -6.497
  167    HA   ILE  24           HA       ILE  24   8.613  -2.658  -8.375
  168    HB   ILE  24           HB       ILE  24   9.956  -0.081  -7.448
  169   HG12  ILE  24          HG12      ILE  24   7.352  -1.332  -6.490
  170   HG13  ILE  24          HG13      ILE  24   8.714  -1.194  -5.491
  171   HG21  ILE  24          HG21      ILE  24   7.315  -0.592  -8.915
  172   HG22  ILE  24          HG22      ILE  24   8.001   0.998  -8.502
  173   HG23  ILE  24          HG23      ILE  24   8.801  -0.002  -9.689
  174   HD11  ILE  24          HD11      ILE  24   6.984   1.032  -6.528
  175   HD12  ILE  24          HD12      ILE  24   7.391   0.569  -4.883
  176   HD13  ILE  24          HD13      ILE  24   8.628   1.343  -5.883
  177    H    ASP  25           H        ASP  25   9.039  -2.903 -10.477
  178    HA   ASP  25           HA       ASP  25  11.503  -1.690 -11.667
  179    HB2  ASP  25           HB2      ASP  25  11.890  -4.020 -11.290
  180    HB3  ASP  25           HB3      ASP  25  10.327  -4.478 -12.014
  181    H    GLU  26           H        GLU  26  11.063  -0.406 -13.361
  182    HA   GLU  26           HA       GLU  26   8.234  -0.059 -14.094
  183    HB2  GLU  26           HB2      GLU  26   8.902   1.991 -15.157
  184    HB3  GLU  26           HB3      GLU  26   9.550   1.891 -13.505
  185    HG2  GLU  26           HG2      GLU  26  11.749   1.153 -14.544
  186    HG3  GLU  26           HG3      GLU  26  11.065   1.530 -16.125
  187    H    THR  27           H        THR  27   7.274  -0.366 -16.100
  188    HA   THR  27           HA       THR  27   8.875  -1.019 -18.467
  189    HB   THR  27           HB       THR  27   9.008  -3.131 -17.324
  190    HG1  THR  27           HG1      THR  27   8.449  -4.281 -19.001
  191   HG21  THR  27          HG21      THR  27   5.971  -3.078 -17.210
  192   HG22  THR  27          HG22      THR  27   6.953  -4.547 -17.011
  193   HG23  THR  27          HG23      THR  27   7.119  -3.216 -15.865
  194    H    GLU  28           H        GLU  28   7.135  -1.913 -20.182
  195    HA   GLU  28           HA       GLU  28   5.349   0.345 -20.566
  196    HB2  GLU  28           HB2      GLU  28   6.526  -0.628 -22.406
  197    HB3  GLU  28           HB3      GLU  28   5.730  -2.202 -22.167
  198    HG2  GLU  28           HG2      GLU  28   3.661  -1.397 -22.986
  199    HG3  GLU  28           HG3      GLU  28   4.047   0.279 -22.585
  200    H    GLY  29           H        GLY  29   4.983  -2.662 -18.938
  201    HA2  GLY  29           HA2      GLY  29   2.063  -2.245 -18.667
  202    HA3  GLY  29           HA3      GLY  29   2.959  -3.666 -18.040
  203    H    GLY  30           H        GLY  30   4.487  -0.779 -17.485
  204    HA2  GLY  30           HA2      GLY  30   4.547   0.865 -15.813
  205    HA3  GLY  30           HA3      GLY  30   3.100   0.155 -15.108
  206    H    LEU  31           H        LEU  31   3.637   0.172 -13.060
  207    HA   LEU  31           HA       LEU  31   6.260  -0.585 -12.065
  208    HB2  LEU  31           HB2      LEU  31   3.613  -0.018 -10.667
  209    HB3  LEU  31           HB3      LEU  31   5.150  -0.221  -9.815
  210    HG   LEU  31           HG       LEU  31   4.322   1.996 -11.746
  211   HD11  LEU  31          HD11      LEU  31   5.167   2.089  -8.813
  212   HD12  LEU  31          HD12      LEU  31   4.617   3.463  -9.801
  213   HD13  LEU  31          HD13      LEU  31   3.492   2.152  -9.403
  214   HD21  LEU  31          HD21      LEU  31   6.674   1.594 -12.233
  215   HD22  LEU  31          HD22      LEU  31   6.510   3.079 -11.289
  216   HD23  LEU  31          HD23      LEU  31   7.052   1.591 -10.496
  217    H    LYS  32           H        LYS  32   6.799  -2.662 -12.549
  218    HA   LYS  32           HA       LYS  32   5.142  -4.948 -11.781
  219    HB2  LYS  32           HB2      LYS  32   6.866  -4.830 -13.704
  220    HB3  LYS  32           HB3      LYS  32   8.105  -4.972 -12.456
  221    HG2  LYS  32           HG2      LYS  32   6.774  -7.100 -11.678
  222    HG3  LYS  32           HG3      LYS  32   5.906  -6.928 -13.204
  223    HD2  LYS  32           HD2      LYS  32   7.551  -8.464 -13.750
  224    HD3  LYS  32           HD3      LYS  32   8.265  -6.950 -14.327
  225    HE2  LYS  32           HE2      LYS  32   9.571  -6.786 -12.205
  226    HE3  LYS  32           HE3      LYS  32   8.809  -8.288 -11.628
  227    HZ1  LYS  32           HZ1      LYS  32  10.675  -8.011 -13.931
  228    HZ2  LYS  32           HZ2      LYS  32  10.957  -8.802 -12.546
  229    HZ3  LYS  32           HZ3      LYS  32   9.869  -9.405 -13.601
  230    H    PHE  33           H        PHE  33   4.854  -5.415  -9.715
  231    HA   PHE  33           HA       PHE  33   6.715  -4.581  -7.583
  232    HB2  PHE  33           HB2      PHE  33   4.095  -4.171  -7.872
  233    HB3  PHE  33           HB3      PHE  33   3.944  -5.836  -7.299
  234    HD1  PHE  33           HD1      PHE  33   5.940  -2.818  -6.448
  235    HD2  PHE  33           HD2      PHE  33   3.221  -5.805  -5.032
  236    HE1  PHE  33           HE1      PHE  33   6.098  -1.849  -4.153
  237    HE2  PHE  33           HE2      PHE  33   3.310  -4.802  -2.744
  238    HZ   PHE  33           HZ       PHE  33   4.785  -2.866  -2.293
  239    H    THR  34           H        THR  34   8.259  -6.158  -6.853
  240    HA   THR  34           HA       THR  34   7.308  -9.021  -6.978
  241    HB   THR  34           HB       THR  34  10.157  -8.316  -7.535
  242    HG1  THR  34           HG1      THR  34   8.929  -7.250  -9.058
  243   HG21  THR  34          HG21      THR  34   8.390 -10.680  -8.257
  244   HG22  THR  34          HG22      THR  34  10.103 -10.484  -8.682
  245   HG23  THR  34          HG23      THR  34   9.631 -10.653  -6.983
  246    HA   PRO  35           HA       PRO  35   8.625  -8.388  -2.729
  247    HB2  PRO  35           HB2      PRO  35   7.211 -10.349  -1.512
  248    HB3  PRO  35           HB3      PRO  35   6.392  -8.945  -2.272
  249    HG2  PRO  35           HG2      PRO  35   6.881 -11.706  -3.443
  250    HG3  PRO  35           HG3      PRO  35   5.331 -10.802  -3.353
  251    HD2  PRO  35           HD2      PRO  35   6.913 -10.789  -5.586
  252    HD3  PRO  35           HD3      PRO  35   5.997  -9.338  -5.072
  253    H    HIS  36           H        HIS  36   9.861  -9.400  -1.054
  254    HA   HIS  36           HA       HIS  36  10.686 -12.198  -1.354
  255    HB2  HIS  36           HB2      HIS  36  12.992 -11.885  -1.617
  256    HB3  HIS  36           HB3      HIS  36  12.280 -10.740  -2.751
  257    HD1  HIS  36           HD1      HIS  36  15.001 -10.807  -0.395
  258    HD2  HIS  36           HD2      HIS  36  11.939  -8.116  -1.378
  259    HE1  HIS  36           HE1      HIS  36  15.777  -8.545   0.500
  260    H    LEU  37           H        LEU  37   9.041 -10.858   0.570
  261    HA   LEU  37           HA       LEU  37  10.682 -10.428   3.003
  262    HB2  LEU  37           HB2      LEU  37   7.681 -10.089   2.867
  263    HB3  LEU  37           HB3      LEU  37   8.868  -9.380   3.971
  264    HG   LEU  37           HG       LEU  37   9.707  -8.217   1.683
  265   HD11  LEU  37          HD11      LEU  37   6.705  -8.686   1.285
  266   HD12  LEU  37          HD12      LEU  37   7.697  -7.540   0.380
  267   HD13  LEU  37          HD13      LEU  37   8.021  -9.266   0.236
  268   HD21  LEU  37          HD21      LEU  37   9.093  -7.019   3.689
  269   HD22  LEU  37          HD22      LEU  37   8.284  -6.277   2.305
  270   HD23  LEU  37          HD23      LEU  37   7.362  -7.325   3.414
  271    H    LYS  38           H        LYS  38  10.231 -11.428   5.024
  272    HA   LYS  38           HA       LYS  38   8.898 -14.102   4.756
  273    HB2  LYS  38           HB2      LYS  38  10.834 -15.215   5.665
  274    HB3  LYS  38           HB3      LYS  38  11.213 -14.352   4.189
  275    HG2  LYS  38           HG2      LYS  38  11.768 -12.542   6.379
  276    HG3  LYS  38           HG3      LYS  38  12.391 -14.140   6.841
  277    HD2  LYS  38           HD2      LYS  38  14.156 -12.975   5.726
  278    HD3  LYS  38           HD3      LYS  38  13.606 -14.243   4.629
  279    HE2  LYS  38           HE2      LYS  38  12.186 -12.589   3.420
  280    HE3  LYS  38           HE3      LYS  38  12.710 -11.315   4.529
  281    HZ1  LYS  38           HZ1      LYS  38  14.537 -12.842   2.762
  282    HZ2  LYS  38           HZ2      LYS  38  13.898 -11.396   2.370
  283    HZ3  LYS  38           HZ3      LYS  38  14.932 -11.504   3.661
  284    H    ALA  39           H        ALA  39   7.932 -11.791   6.178
  285    HA   ALA  39           HA       ALA  39   6.961 -13.288   8.459
  286    HB1  ALA  39           HB1      ALA  39   8.653 -10.841   9.036
  287    HB2  ALA  39           HB2      ALA  39   7.653 -11.713  10.207
  288    HB3  ALA  39           HB3      ALA  39   9.053 -12.512   9.465
  289    H    LEU  40           H        LEU  40   5.071 -12.931   7.108
  290    HA   LEU  40           HA       LEU  40   3.652 -10.574   8.102
  291    HB2  LEU  40           HB2      LEU  40   2.747 -11.030   5.333
  292    HB3  LEU  40           HB3      LEU  40   3.034  -9.617   6.235
  293    HG   LEU  40           HG       LEU  40   5.595  -9.972   5.678
  294   HD11  LEU  40          HD11      LEU  40   4.316 -11.948   3.722
  295   HD12  LEU  40          HD12      LEU  40   5.955 -11.289   3.571
  296   HD13  LEU  40          HD13      LEU  40   5.560 -12.300   4.926
  297   HD21  LEU  40          HD21      LEU  40   4.215  -8.229   4.629
  298   HD22  LEU  40          HD22      LEU  40   5.310  -8.960   3.441
  299   HD23  LEU  40          HD23      LEU  40   3.594  -9.400   3.450
  300    HA   PRO  41           HA       PRO  41   0.434 -13.341   8.587
  301    HB2  PRO  41           HB2      PRO  41  -1.937 -11.978   7.950
  302    HB3  PRO  41           HB3      PRO  41  -1.012 -11.795   9.466
  303    HG2  PRO  41           HG2      PRO  41  -0.824 -10.109   6.997
  304    HG3  PRO  41           HG3      PRO  41  -1.017  -9.577   8.694
  305    HD2  PRO  41           HD2      PRO  41   1.434  -9.609   7.623
  306    HD3  PRO  41           HD3      PRO  41   1.121 -10.312   9.248
  307    HA   PRO  42           HA       PRO  42   0.880 -15.150   4.991
  308    HB2  PRO  42           HB2      PRO  42   0.116 -17.681   5.361
  309    HB3  PRO  42           HB3      PRO  42   1.090 -16.807   6.566
  310    HG2  PRO  42           HG2      PRO  42  -1.940 -17.031   6.569
  311    HG3  PRO  42           HG3      PRO  42  -0.815 -17.604   7.850
  312    HD2  PRO  42           HD2      PRO  42  -1.869 -15.105   7.992
  313    HD3  PRO  42           HD3      PRO  42  -0.148 -15.396   8.405
  314    H    GLY  43           H        GLY  43  -1.764 -13.780   4.705
  315    HA2  GLY  43           HA2      GLY  43  -3.172 -15.489   2.679
  316    HA3  GLY  43           HA3      GLY  43  -3.923 -14.213   3.658
  317    H    GLU  44           H        GLU  44  -4.891 -13.487   1.802
  318    HA   GLU  44           HA       GLU  44  -3.479 -12.052  -0.297
  319    HB2  GLU  44           HB2      GLU  44  -6.405 -11.788   0.522
  320    HB3  GLU  44           HB3      GLU  44  -5.659 -11.430  -1.028
  321    HG2  GLU  44           HG2      GLU  44  -6.622 -13.396  -1.586
  322    HG3  GLU  44           HG3      GLU  44  -5.089 -14.058  -0.985
  323    H    HIS  45           H        HIS  45  -3.412  -9.723  -0.542
  324    HA   HIS  45           HA       HIS  45  -4.039  -8.030   1.841
  325    HB2  HIS  45           HB2      HIS  45  -1.339  -8.376   0.456
  326    HB3  HIS  45           HB3      HIS  45  -1.669  -7.082   1.598
  327    HD1  HIS  45           HD1      HIS  45  -2.781  -8.396   4.064
  328    HD2  HIS  45           HD2      HIS  45  -0.629 -10.614   1.269
  329    HE1  HIS  45           HE1      HIS  45  -2.143 -10.585   5.229
  330    HE2  HIS  45           HE2      HIS  45  -0.690 -11.901   3.556
  331    H    GLY  46           H        GLY  46  -4.704  -5.970   1.282
  332    HA2  GLY  46           HA2      GLY  46  -4.725  -4.992  -1.336
  333    HA3  GLY  46           HA3      GLY  46  -4.831  -3.998   0.136
  334    H    PHE  47           H        PHE  47  -3.184  -3.406  -2.355
  335    HA   PHE  47           HA       PHE  47  -0.885  -2.463  -0.776
  336    HB2  PHE  47           HB2      PHE  47   0.533  -3.999  -1.573
  337    HB3  PHE  47           HB3      PHE  47  -0.649  -4.616  -2.730
  338    HD1  PHE  47           HD1      PHE  47   1.734  -1.711  -2.342
  339    HD2  PHE  47           HD2      PHE  47  -0.107  -4.591  -4.945
  340    HE1  PHE  47           HE1      PHE  47   3.090  -0.829  -4.319
  341    HE2  PHE  47           HE2      PHE  47   1.092  -3.581  -6.910
  342    HZ   PHE  47           HZ       PHE  47   2.615  -1.664  -6.582
  343    H    HIS  48           H        HIS  48  -1.604  -0.365  -0.892
  344    HA   HIS  48           HA       HIS  48  -2.180   0.704  -3.672
  345    HB2  HIS  48           HB2      HIS  48  -2.587   2.206  -1.062
  346    HB3  HIS  48           HB3      HIS  48  -3.350   2.519  -2.619
  347    HD2  HIS  48           HD2      HIS  48  -4.775  -0.127  -3.341
  348    HE1  HIS  48           HE1      HIS  48  -6.369  -0.253   0.587
  349    HE2  HIS  48           HE2      HIS  48  -6.639  -1.035  -1.861
  350    H    ILE  49           H        ILE  49  -1.705   2.974  -4.091
  351    HA   ILE  49           HA       ILE  49   0.881   3.994  -2.972
  352    HB   ILE  49           HB       ILE  49  -0.512   4.471  -5.623
  353   HG12  ILE  49          HG12      ILE  49   2.405   3.781  -5.008
  354   HG13  ILE  49          HG13      ILE  49   1.164   2.528  -5.195
  355   HG21  ILE  49          HG21      ILE  49   1.755   6.117  -4.394
  356   HG22  ILE  49          HG22      ILE  49   1.220   6.224  -6.084
  357   HG23  ILE  49          HG23      ILE  49   0.125   6.704  -4.799
  358   HD11  ILE  49          HD11      ILE  49   1.983   4.512  -7.340
  359   HD12  ILE  49          HD12      ILE  49   2.357   2.781  -7.271
  360   HD13  ILE  49          HD13      ILE  49   0.678   3.310  -7.484
  361    H    HIS  50           H        HIS  50   0.841   5.723  -1.779
  362    HA   HIS  50           HA       HIS  50  -1.778   7.062  -1.234
  363    HB2  HIS  50           HB2      HIS  50   0.612   6.593   0.575
  364    HB3  HIS  50           HB3      HIS  50  -0.797   7.558   0.987
  365    HD1  HIS  50           HD1      HIS  50  -0.214   5.292   2.858
  366    HD2  HIS  50           HD2      HIS  50  -2.651   4.898  -0.522
  367    HE1  HIS  50           HE1      HIS  50  -1.800   3.335   3.365
  368    H    ALA  51           H        ALA  51  -1.648   9.363  -0.673
  369    HA   ALA  51           HA       ALA  51  -0.547  10.568  -3.005
  370    HB1  ALA  51           HB1      ALA  51  -2.000  11.818  -0.633
  371    HB2  ALA  51           HB2      ALA  51  -1.811  12.535  -2.245
  372    HB3  ALA  51           HB3      ALA  51  -2.781  11.065  -2.031
  373    H    ASN  52           H        ASN  52   0.673  10.644   0.291
  374    HA   ASN  52           HA       ASN  52   2.980  12.271  -0.714
  375    HB2  ASN  52           HB2      ASN  52   1.500  12.512   1.922
  376    HB3  ASN  52           HB3      ASN  52   3.156  13.081   1.718
  377   HD21  ASN  52          HD21      ASN  52  -0.130  13.456   0.294
  378   HD22  ASN  52          HD22      ASN  52   0.147  15.108  -0.220
  379    H    GLY  53           H        GLY  53   5.020  11.737   0.061
  380    HA2  GLY  53           HA2      GLY  53   5.401   8.919   0.720
  381    HA3  GLY  53           HA3      GLY  53   6.652  10.120   0.342
  382    H    SER  54           H        SER  54   4.459   8.995   2.952
  383    HA   SER  54           HA       SER  54   6.658   8.843   4.805
  384    HB2  SER  54           HB2      SER  54   6.435  11.232   5.069
  385    HB3  SER  54           HB3      SER  54   4.673  11.101   5.146
  386    HG   SER  54           HG       SER  54   6.591  10.504   7.131
  387    H    CYS  55           H        CYS  55   6.263   7.289   6.275
  388    HA   CYS  55           HA       CYS  55   3.747   6.071   6.695
  389    HB2  CYS  55           HB2      CYS  55   6.144   5.851   8.521
  390    HB3  CYS  55           HB3      CYS  55   5.009   4.611   8.024
  391    H    GLN  56           H        GLN  56   4.669   9.085   7.952
  392    HA   GLN  56           HA       GLN  56   4.492   8.393  10.737
  393    HB2  GLN  56           HB2      GLN  56   4.952  11.026   9.336
  394    HB3  GLN  56           HB3      GLN  56   4.631  10.940  11.061
  395    HG2  GLN  56           HG2      GLN  56   6.966  11.009  10.863
  396    HG3  GLN  56           HG3      GLN  56   6.534   9.395  11.397
  397   HE21  GLN  56          HE21      GLN  56   7.302   7.609  10.106
  398   HE22  GLN  56          HE22      GLN  56   8.253   7.915   8.666
  399    HA   PRO  57           HA       PRO  57   0.149   9.400  11.424
  400    HB2  PRO  57           HB2      PRO  57  -0.051   8.770  14.040
  401    HB3  PRO  57           HB3      PRO  57   0.225   7.515  12.800
  402    HG2  PRO  57           HG2      PRO  57   2.295   8.828  14.566
  403    HG3  PRO  57           HG3      PRO  57   2.038   7.076  14.251
  404    HD2  PRO  57           HD2      PRO  57   3.874   8.620  12.881
  405    HD3  PRO  57           HD3      PRO  57   3.040   7.218  12.141
  406    H    ALA  58           H        ALA  58  -1.080  10.816  12.881
  407    HA   ALA  58           HA       ALA  58   0.454  13.032  14.132
  408    HB1  ALA  58           HB1      ALA  58  -2.250  13.232  12.727
  409    HB2  ALA  58           HB2      ALA  58  -1.292  14.558  13.421
  410    HB3  ALA  58           HB3      ALA  58  -0.698  13.708  12.003
  411    H    ILE  59           H        ILE  59  -0.985  14.111  15.864
  412    HA   ILE  59           HA       ILE  59  -2.020  11.873  17.581
  413    HB   ILE  59           HB       ILE  59  -0.625  14.367  18.585
  414   HG12  ILE  59          HG12      ILE  59   1.068  13.304  17.221
  415   HG13  ILE  59          HG13      ILE  59   1.435  13.118  18.920
  416   HG21  ILE  59          HG21      ILE  59  -1.207  11.655  19.861
  417   HG22  ILE  59          HG22      ILE  59  -0.275  12.964  20.616
  418   HG23  ILE  59          HG23      ILE  59  -1.984  13.198  20.245
  419   HD11  ILE  59          HD11      ILE  59   0.254  10.933  17.150
  420   HD12  ILE  59          HD12      ILE  59   1.944  11.075  17.653
  421   HD13  ILE  59          HD13      ILE  59   0.694  10.760  18.866
  422    H    LYS  60           H        LYS  60  -3.923  12.078  18.556
  423    HA   LYS  60           HA       LYS  60  -5.061  14.653  19.312
  424    HB2  LYS  60           HB2      LYS  60  -5.755  14.451  16.923
  425    HB3  LYS  60           HB3      LYS  60  -6.496  12.888  17.270
  426    HG2  LYS  60           HG2      LYS  60  -8.151  13.960  18.739
  427    HG3  LYS  60           HG3      LYS  60  -7.342  15.529  18.549
  428    HD2  LYS  60           HD2      LYS  60  -7.837  15.514  16.126
  429    HD3  LYS  60           HD3      LYS  60  -8.614  13.926  16.280
  430    HE2  LYS  60           HE2      LYS  60 -10.330  14.867  17.766
  431    HE3  LYS  60           HE3      LYS  60  -9.535  16.450  17.732
  432    HZ1  LYS  60           HZ1      LYS  60 -10.720  15.097  15.366
  433    HZ2  LYS  60           HZ2      LYS  60 -11.418  16.323  16.171
  434    HZ3  LYS  60           HZ3      LYS  60 -10.008  16.572  15.350
  435    H    ASP  61           H        ASP  61  -6.221  14.359  21.203
  436    HA   ASP  61           HA       ASP  61  -6.980  13.310  23.080
  437    HB2  ASP  61           HB2      ASP  61  -8.860  12.928  21.521
  438    HB3  ASP  61           HB3      ASP  61  -8.194  11.356  21.089
  439    H    GLY  62           H        GLY  62  -4.349  12.817  22.757
  440    HA2  GLY  62           HA2      GLY  62  -2.705  11.576  23.752
  441    HA3  GLY  62           HA3      GLY  62  -3.992  10.602  24.498
  442    H    GLN  63           H        GLN  63  -4.227  10.383  21.111
  443    HA   GLN  63           HA       GLN  63  -2.477   7.990  20.967
  444    HB2  GLN  63           HB2      GLN  63  -4.261   6.592  20.164
  445    HB3  GLN  63           HB3      GLN  63  -4.722   7.295  21.706
  446    HG2  GLN  63           HG2      GLN  63  -5.905   9.112  20.112
  447    HG3  GLN  63           HG3      GLN  63  -5.871   7.781  18.963
  448   HE21  GLN  63          HE21      GLN  63  -7.125   8.931  22.106
  449   HE22  GLN  63          HE22      GLN  63  -8.387   7.723  22.220
  450    H    ALA  64           H        ALA  64  -2.283   7.125  18.701
  451    HA   ALA  64           HA       ALA  64  -1.776   9.476  16.957
  452    HB1  ALA  64           HB1      ALA  64  -0.221   6.886  17.320
  453    HB2  ALA  64           HB2      ALA  64   0.261   8.261  16.307
  454    HB3  ALA  64           HB3      ALA  64   0.185   8.439  18.066
  455    H    VAL  65           H        VAL  65  -2.672   9.501  15.006
  456    HA   VAL  65           HA       VAL  65  -4.585   7.515  14.361
  457    HB   VAL  65           HB       VAL  65  -5.329   8.920  12.539
  458   HG11  VAL  65          HG11      VAL  65  -4.525  10.617  14.935
  459   HG12  VAL  65          HG12      VAL  65  -5.847  10.926  13.797
  460   HG13  VAL  65          HG13      VAL  65  -5.918   9.517  14.866
  461   HG21  VAL  65          HG21      VAL  65  -3.121   9.617  11.584
  462   HG22  VAL  65          HG22      VAL  65  -4.190  10.990  11.901
  463   HG23  VAL  65          HG23      VAL  65  -2.856  10.635  13.006
  464    H    ALA  66           H        ALA  66  -1.938   6.352  14.012
  465    HA   ALA  66           HA       ALA  66  -0.814   4.832  12.715
  466    HB1  ALA  66           HB1      ALA  66  -3.620   4.401  11.621
  467    HB2  ALA  66           HB2      ALA  66  -2.310   3.205  11.716
  468    HB3  ALA  66           HB3      ALA  66  -3.037   3.845  13.204
  469    H    ALA  67           H        ALA  67  -1.560   7.489  11.130
  470    HA   ALA  67           HA       ALA  67   0.463   8.078   9.790
  471    HB1  ALA  67           HB1      ALA  67  -0.661   6.280   7.662
  472    HB2  ALA  67           HB2      ALA  67   0.756   7.326   7.569
  473    HB3  ALA  67           HB3      ALA  67   0.803   5.935   8.646
  474    H    GLU  68           H        GLU  68   0.008  10.118   9.349
  475    HA   GLU  68           HA       GLU  68  -2.486  10.812   7.828
  476    HB2  GLU  68           HB2      GLU  68  -2.574  11.669  10.147
  477    HB3  GLU  68           HB3      GLU  68  -1.060  12.543   9.892
  478    HG2  GLU  68           HG2      GLU  68  -2.084  13.999   8.257
  479    HG3  GLU  68           HG3      GLU  68  -3.518  12.974   8.146
  480    H    ALA  69           H        ALA  69   1.019  11.460   8.349
  481    HA   ALA  69           HA       ALA  69   1.353  13.312   6.216
  482    HB1  ALA  69           HB1      ALA  69   3.284  11.377   7.560
  483    HB2  ALA  69           HB2      ALA  69   3.743  12.785   6.581
  484    HB3  ALA  69           HB3      ALA  69   2.896  13.019   8.122
  485    H    ALA  70           H        ALA  70   0.546  10.061   5.946
  486    HA   ALA  70           HA       ALA  70   1.802   9.457   3.395
  487    HB1  ALA  70           HB1      ALA  70  -0.665   8.286   4.773
  488    HB2  ALA  70           HB2      ALA  70   0.206   7.584   3.386
  489    HB3  ALA  70           HB3      ALA  70   1.008   7.704   4.960
  490    H    GLY  71           H        GLY  71  -0.802  11.577   4.283
  491    HA2  GLY  71           HA2      GLY  71  -2.040  12.975   2.911
  492    HA3  GLY  71           HA3      GLY  71  -1.328  12.199   1.492
  493    H    GLY  72           H        GLY  72  -2.522   9.645   3.088
  494    HA2  GLY  72           HA2      GLY  72  -4.497   8.347   2.914
  495    HA3  GLY  72           HA3      GLY  72  -5.336   9.715   2.164
  496    H    HIS  73           H        HIS  73  -6.056   7.767   0.810
  497    HA   HIS  73           HA       HIS  73  -4.250   6.684  -1.202
  498    HB2  HIS  73           HB2      HIS  73  -7.262   6.991  -1.085
  499    HB3  HIS  73           HB3      HIS  73  -6.410   6.161  -2.389
  500    HD2  HIS  73           HD2      HIS  73  -4.927   5.309   0.987
  501    HE1  HIS  73           HE1      HIS  73  -7.569   2.105   0.096
  502    HE2  HIS  73           HE2      HIS  73  -5.670   2.927   1.611
  503    H    LEU  74           H        LEU  74  -3.728   7.441  -3.243
  504    HA   LEU  74           HA       LEU  74  -4.017  10.242  -3.781
  505    HB2  LEU  74           HB2      LEU  74  -2.048   8.913  -4.388
  506    HB3  LEU  74           HB3      LEU  74  -3.007   7.916  -5.462
  507    HG   LEU  74           HG       LEU  74  -3.464   9.968  -6.878
  508   HD11  LEU  74          HD11      LEU  74  -1.321  11.215  -5.094
  509   HD12  LEU  74          HD12      LEU  74  -1.969  11.919  -6.588
  510   HD13  LEU  74          HD13      LEU  74  -3.022  11.727  -5.182
  511   HD21  LEU  74          HD21      LEU  74  -1.729   8.321  -7.468
  512   HD22  LEU  74          HD22      LEU  74  -1.214   9.958  -7.905
  513   HD23  LEU  74          HD23      LEU  74  -0.548   9.177  -6.453
  514    H    ASP  75           H        ASP  75  -5.678  11.314  -4.550
  515    HA   ASP  75           HA       ASP  75  -7.403  10.298  -6.728
  516    HB2  ASP  75           HB2      ASP  75  -8.695   9.630  -4.875
  517    HB3  ASP  75           HB3      ASP  75  -8.294  11.067  -3.941
  518    HA   PRO  76           HA       PRO  76  -6.787  14.735  -7.513
  519    HB2  PRO  76           HB2      PRO  76  -7.477  14.854 -10.126
  520    HB3  PRO  76           HB3      PRO  76  -6.014  13.975  -9.587
  521    HG2  PRO  76           HG2      PRO  76  -8.770  12.809 -10.157
  522    HG3  PRO  76           HG3      PRO  76  -7.190  12.273 -10.812
  523    HD2  PRO  76           HD2      PRO  76  -8.327  11.112  -8.609
  524    HD3  PRO  76           HD3      PRO  76  -6.555  11.321  -8.751
  525    H    GLN  77           H        GLN  77  -9.894  13.116  -7.626
  526    HA   GLN  77           HA       GLN  77 -11.722  14.853  -6.906
  527    HB2  GLN  77           HB2      GLN  77 -12.689  16.123  -8.805
  528    HB3  GLN  77           HB3      GLN  77 -11.140  16.688  -8.320
  529    HG2  GLN  77           HG2      GLN  77 -10.318  14.996 -10.308
  530    HG3  GLN  77           HG3      GLN  77 -11.974  15.247 -10.844
  531   HE21  GLN  77          HE21      GLN  77  -9.231  17.252  -9.547
  532   HE22  GLN  77          HE22      GLN  77  -9.377  18.491 -10.795
  533    H    ASN  78           H        ASN  78 -11.180  11.957  -7.900
  534    HA   ASN  78           HA       ASN  78 -13.217  11.135  -9.704
  535    HB2  ASN  78           HB2      ASN  78 -11.931   9.661  -7.353
  536    HB3  ASN  78           HB3      ASN  78 -12.861   8.914  -8.644
  537   HD21  ASN  78          HD21      ASN  78 -11.647  10.430 -10.901
  538   HD22  ASN  78          HD22      ASN  78 -10.025   9.785 -11.002
  539    H    THR  79           H        THR  79 -13.234  11.653  -6.259
  540    HA   THR  79           HA       THR  79 -15.590  12.547  -5.529
  541    HB   THR  79           HB       THR  79 -16.964  10.878  -6.583
  542    HG1  THR  79           HG1      THR  79 -17.956  11.514  -4.842
  543   HG21  THR  79          HG21      THR  79 -15.608   8.811  -4.802
  544   HG22  THR  79          HG22      THR  79 -17.059   8.551  -5.787
  545   HG23  THR  79          HG23      THR  79 -15.517   8.870  -6.572
  546    H    GLY  80           H        GLY  80 -13.198  10.072  -4.768
  547    HA2  GLY  80           HA2      GLY  80 -11.791  10.116  -2.926
  548    HA3  GLY  80           HA3      GLY  80 -12.895  11.206  -2.062
  549    H    LYS  81           H        LYS  81 -14.781   8.701  -3.242
  550    HA   LYS  81           HA       LYS  81 -15.189   7.657  -0.607
  551    HB2  LYS  81           HB2      LYS  81 -17.006   6.507  -1.479
  552    HB3  LYS  81           HB3      LYS  81 -16.908   7.952  -2.483
  553    HG2  LYS  81           HG2      LYS  81 -15.732   6.572  -4.250
  554    HG3  LYS  81           HG3      LYS  81 -15.943   5.146  -3.233
  555    HD2  LYS  81           HD2      LYS  81 -18.222   6.782  -4.391
  556    HD3  LYS  81           HD3      LYS  81 -17.582   5.267  -5.038
  557    HE2  LYS  81           HE2      LYS  81 -18.077   4.226  -2.725
  558    HE3  LYS  81           HE3      LYS  81 -18.987   5.705  -2.370
  559    HZ1  LYS  81           HZ1      LYS  81 -19.546   3.759  -4.527
  560    HZ2  LYS  81           HZ2      LYS  81 -20.521   4.109  -3.249
  561    HZ3  LYS  81           HZ3      LYS  81 -20.259   5.207  -4.458
  562    H    HIS  82           H        HIS  82 -13.281   6.446  -3.211
  563    HA   HIS  82           HA       HIS  82 -11.489   4.874  -2.901
  564    HB2  HIS  82           HB2      HIS  82 -12.189   4.047  -0.673
  565    HB3  HIS  82           HB3      HIS  82 -13.480   3.120  -1.451
  566    HD2  HIS  82           HD2      HIS  82 -12.918   0.700  -1.944
  567    HE1  HIS  82           HE1      HIS  82  -8.726   0.854  -2.450
  568    HE2  HIS  82           HE2      HIS  82 -10.750  -0.617  -2.501
  569    H    GLU  83           H        GLU  83 -10.973   3.211  -4.302
  570    HA   GLU  83           HA       GLU  83 -12.756   2.818  -6.591
  571    HB2  GLU  83           HB2      GLU  83 -10.114   3.269  -6.362
  572    HB3  GLU  83           HB3      GLU  83 -10.052   1.532  -6.213
  573    HG2  GLU  83           HG2      GLU  83  -9.966   1.489  -8.458
  574    HG3  GLU  83           HG3      GLU  83 -11.672   1.937  -8.480
  575    H    GLY  84           H        GLY  84 -11.462   0.024  -6.976
  576    HA2  GLY  84           HA2      GLY  84 -11.265  -1.980  -5.652
  577    HA3  GLY  84           HA3      GLY  84 -12.685  -1.524  -4.732
  578    HA   PRO  85           HA       PRO  85 -13.978  -4.796  -7.537
  579    HB2  PRO  85           HB2      PRO  85 -16.392  -5.483  -6.458
  580    HB3  PRO  85           HB3      PRO  85 -14.837  -5.791  -5.627
  581    HG2  PRO  85           HG2      PRO  85 -16.708  -3.426  -5.241
  582    HG3  PRO  85           HG3      PRO  85 -16.027  -4.504  -3.983
  583    HD2  PRO  85           HD2      PRO  85 -14.859  -2.128  -4.572
  584    HD3  PRO  85           HD3      PRO  85 -13.857  -3.571  -4.226
  585    H    GLU  86           H        GLU  86 -15.818  -1.826  -7.288
  586    HA   GLU  86           HA       GLU  86 -16.288  -1.712 -10.030
  587    HB2  GLU  86           HB2      GLU  86 -18.757  -1.650 -10.127
  588    HB3  GLU  86           HB3      GLU  86 -18.104  -3.254  -9.894
  589    HG2  GLU  86           HG2      GLU  86 -18.689  -3.153  -7.471
  590    HG3  GLU  86           HG3      GLU  86 -19.372  -1.536  -7.721
  591    H    GLY  87           H        GLY  87 -17.017   0.367 -10.667
  592    HA2  GLY  87           HA2      GLY  87 -17.754   2.617 -10.226
  593    HA3  GLY  87           HA3      GLY  87 -17.370   2.408  -8.513
  594    H    GLN  88           H        GLN  88 -16.081   4.152  -8.325
  595    HA   GLN  88           HA       GLN  88 -13.305   4.070  -9.005
  596    HB2  GLN  88           HB2      GLN  88 -14.124   4.916 -11.185
  597    HB3  GLN  88           HB3      GLN  88 -15.101   6.122 -10.367
  598    HG2  GLN  88           HG2      GLN  88 -13.445   7.579 -10.639
  599    HG3  GLN  88           HG3      GLN  88 -12.470   6.691  -9.485
  600   HE21  GLN  88          HE21      GLN  88 -10.762   5.247 -10.279
  601   HE22  GLN  88          HE22      GLN  88 -10.254   5.417 -11.949
  602    H    GLY  89           H        GLY  89 -12.221   5.501  -7.564
  603    HA2  GLY  89           HA2      GLY  89 -13.568   7.679  -6.282
  604    HA3  GLY  89           HA3      GLY  89 -13.558   6.323  -5.184
  605    H    HIS  90           H        HIS  90 -10.752   5.599  -6.434
  606    HA   HIS  90           HA       HIS  90  -9.210   7.951  -6.145
  607    HB2  HIS  90           HB2      HIS  90  -7.938   5.894  -4.389
  608    HB3  HIS  90           HB3      HIS  90  -7.757   7.609  -4.402
  609    HD2  HIS  90           HD2      HIS  90  -9.762   9.047  -3.045
  610    HE1  HIS  90           HE1      HIS  90 -10.356   5.936  -0.225
  611    HE2  HIS  90           HE2      HIS  90 -10.764   8.398  -0.763
  612    H    LEU  91           H        LEU  91  -8.030   7.766  -7.989
  613    HA   LEU  91           HA       LEU  91  -7.437   5.291  -9.220
  614    HB2  LEU  91           HB2      LEU  91  -6.066   6.592 -10.785
  615    HB3  LEU  91           HB3      LEU  91  -7.671   7.237 -10.505
  616    HG   LEU  91           HG       LEU  91  -6.692   9.004  -9.020
  617   HD11  LEU  91          HD11      LEU  91  -4.029   7.872  -9.990
  618   HD12  LEU  91          HD12      LEU  91  -4.231   9.500  -9.307
  619   HD13  LEU  91          HD13      LEU  91  -4.561   8.095  -8.305
  620   HD21  LEU  91          HD21      LEU  91  -7.236   9.433 -11.372
  621   HD22  LEU  91          HD22      LEU  91  -5.769  10.318 -10.920
  622   HD23  LEU  91          HD23      LEU  91  -5.641   8.830 -11.876
  623    H    GLY  92           H        GLY  92  -5.698   6.601  -6.558
  624    HA2  GLY  92           HA2      GLY  92  -3.204   5.163  -7.046
  625    HA3  GLY  92           HA3      GLY  92  -3.730   5.922  -5.521
  626    H    ASP  93           H        ASP  93  -6.236   3.958  -6.235
  627    HA   ASP  93           HA       ASP  93  -5.316   1.739  -4.556
  628    HB2  ASP  93           HB2      ASP  93  -7.911   2.257  -6.013
  629    HB3  ASP  93           HB3      ASP  93  -7.641   0.935  -4.869
  630    H    LEU  94           H        LEU  94  -5.538  -0.533  -5.363
  631    HA   LEU  94           HA       LEU  94  -4.224  -0.887  -7.995
  632    HB2  LEU  94           HB2      LEU  94  -2.961  -0.197  -5.410
  633    HB3  LEU  94           HB3      LEU  94  -2.358  -1.720  -6.048
  634    HG   LEU  94           HG       LEU  94  -1.319  -0.810  -7.797
  635   HD11  LEU  94          HD11      LEU  94  -2.629   1.892  -7.366
  636   HD12  LEU  94          HD12      LEU  94  -1.321   1.557  -8.515
  637   HD13  LEU  94          HD13      LEU  94  -2.896   0.796  -8.746
  638   HD21  LEU  94          HD21      LEU  94  -0.233  -0.465  -5.623
  639   HD22  LEU  94          HD22      LEU  94   0.281   0.698  -6.847
  640   HD23  LEU  94          HD23      LEU  94  -0.882   1.189  -5.599
  641    HA   PRO  95           HA       PRO  95  -5.454  -5.080  -7.271
  642    HB2  PRO  95           HB2      PRO  95  -3.534  -6.621  -8.475
  643    HB3  PRO  95           HB3      PRO  95  -4.652  -5.563  -9.391
  644    HG2  PRO  95           HG2      PRO  95  -1.813  -4.955  -8.512
  645    HG3  PRO  95           HG3      PRO  95  -2.548  -4.727 -10.132
  646    HD2  PRO  95           HD2      PRO  95  -2.312  -2.714  -8.306
  647    HD3  PRO  95           HD3      PRO  95  -3.710  -2.805  -9.426
  648    H    VAL  96           H        VAL  96  -5.018  -7.067  -6.127
  649    HA   VAL  96           HA       VAL  96  -3.710  -6.465  -3.637
  650    HB   VAL  96           HB       VAL  96  -4.543  -8.706  -2.881
  651   HG11  VAL  96          HG11      VAL  96  -6.638  -6.888  -4.145
  652   HG12  VAL  96          HG12      VAL  96  -6.885  -8.024  -2.803
  653   HG13  VAL  96          HG13      VAL  96  -5.841  -6.613  -2.584
  654   HG21  VAL  96          HG21      VAL  96  -4.576  -9.921  -5.021
  655   HG22  VAL  96          HG22      VAL  96  -6.158  -9.920  -4.230
  656   HG23  VAL  96          HG23      VAL  96  -5.866  -8.849  -5.616
  657    H    LEU  97           H        LEU  97  -2.129  -7.418  -2.586
  658    HA   LEU  97           HA       LEU  97  -0.006  -8.843  -4.063
  659    HB2  LEU  97           HB2      LEU  97   0.476  -6.781  -2.661
  660    HB3  LEU  97           HB3      LEU  97  -0.142  -7.619  -1.269
  661    HG   LEU  97           HG       LEU  97   1.634  -9.319  -1.464
  662   HD11  LEU  97          HD11      LEU  97   2.729  -7.576  -3.696
  663   HD12  LEU  97          HD12      LEU  97   3.633  -8.871  -2.887
  664   HD13  LEU  97          HD13      LEU  97   2.198  -9.268  -3.833
  665   HD21  LEU  97          HD21      LEU  97   1.905  -7.387   0.013
  666   HD22  LEU  97          HD22      LEU  97   3.465  -7.895  -0.654
  667   HD23  LEU  97          HD23      LEU  97   2.644  -6.463  -1.313
  668    H    VAL  98           H        VAL  98   0.069 -11.038  -3.925
  669    HA   VAL  98           HA       VAL  98  -1.304 -12.483  -1.722
  670    HB   VAL  98           HB       VAL  98   0.087 -13.451  -4.239
  671   HG11  VAL  98          HG11      VAL  98  -1.338 -15.075  -2.078
  672   HG12  VAL  98          HG12      VAL  98  -0.873 -15.699  -3.676
  673   HG13  VAL  98          HG13      VAL  98   0.377 -15.196  -2.539
  674   HG21  VAL  98          HG21      VAL  98  -2.093 -12.370  -4.646
  675   HG22  VAL  98          HG22      VAL  98  -2.212 -14.113  -4.911
  676   HG23  VAL  98          HG23      VAL  98  -2.853 -13.402  -3.413
  677    H    VAL  99           H        VAL  99  -0.297 -13.460  -0.058
  678    HA   VAL  99           HA       VAL  99   2.580 -14.099  -0.321
  679    HB   VAL  99           HB       VAL  99   3.226 -13.572   1.817
  680   HG11  VAL  99          HG11      VAL  99   1.277 -11.330   1.258
  681   HG12  VAL  99          HG12      VAL  99   2.671 -11.240   2.331
  682   HG13  VAL  99          HG13      VAL  99   2.891 -11.468   0.573
  683   HG21  VAL  99          HG21      VAL  99   1.501 -14.611   3.098
  684   HG22  VAL  99          HG22      VAL  99   1.858 -13.004   3.729
  685   HG23  VAL  99          HG23      VAL  99   0.384 -13.266   2.767
  686    H    ASN 100           H        ASN 100   3.083 -16.131   0.965
  687    HA   ASN 100           HA       ASN 100   0.799 -17.945   0.486
  688    HB2  ASN 100           HB2      ASN 100   2.285 -19.585   0.059
  689    HB3  ASN 100           HB3      ASN 100   3.305 -18.212  -0.338
  690   HD21  ASN 100          HD21      ASN 100   4.848 -17.479   1.500
  691   HD22  ASN 100          HD22      ASN 100   5.423 -18.795   2.543
  692    H    ASN 101           H        ASN 101   0.251 -19.653   1.848
  693    HA   ASN 101           HA       ASN 101  -0.707 -19.339   4.318
  694    HB2  ASN 101           HB2      ASN 101  -0.863 -21.744   4.451
  695    HB3  ASN 101           HB3      ASN 101  -1.041 -21.271   2.755
  696   HD21  ASN 101          HD21      ASN 101   0.804 -21.591   1.316
  697   HD22  ASN 101          HD22      ASN 101   2.316 -22.207   1.944
  698    H    ASP 102           H        ASP 102   2.747 -19.776   3.890
  699    HA   ASP 102           HA       ASP 102   3.197 -20.624   6.680
  700    HB2  ASP 102           HB2      ASP 102   4.290 -21.535   4.466
  701    HB3  ASP 102           HB3      ASP 102   5.327 -20.110   4.586
  702    H    GLY 103           H        GLY 103   3.037 -17.668   5.018
  703    HA2  GLY 103           HA2      GLY 103   3.131 -15.583   6.102
  704    HA3  GLY 103           HA3      GLY 103   4.319 -16.196   7.273
  705    H    ILE 104           H        ILE 104   4.750 -16.665   3.828
  706    HA   ILE 104           HA       ILE 104   6.896 -14.555   3.729
  707    HB   ILE 104           HB       ILE 104   6.952 -17.432   2.739
  708   HG12  ILE 104          HG12      ILE 104   9.206 -16.246   4.307
  709   HG13  ILE 104          HG13      ILE 104   7.736 -16.600   5.195
  710   HG21  ILE 104          HG21      ILE 104   8.992 -15.279   2.070
  711   HG22  ILE 104          HG22      ILE 104   9.170 -17.011   1.752
  712   HG23  ILE 104          HG23      ILE 104   7.908 -16.104   0.928
  713   HD11  ILE 104          HD11      ILE 104   9.302 -18.604   3.514
  714   HD12  ILE 104          HD12      ILE 104   9.292 -18.488   5.286
  715   HD13  ILE 104          HD13      ILE 104   7.811 -18.952   4.425
  716    H    ALA 105           H        ALA 105   6.988 -13.315   1.963
  717    HA   ALA 105           HA       ALA 105   4.721 -13.442   0.051
  718    HB1  ALA 105           HB1      ALA 105   6.703 -11.233   0.712
  719    HB2  ALA 105           HB2      ALA 105   5.280 -11.082  -0.344
  720    HB3  ALA 105           HB3      ALA 105   5.079 -11.370   1.384
  721    H    THR 106           H        THR 106   5.077 -14.301  -1.871
  722    HA   THR 106           HA       THR 106   7.685 -14.076  -3.266
  723    HB   THR 106           HB       THR 106   7.887 -15.984  -1.757
  724    HG1  THR 106           HG1      THR 106   7.566 -16.524  -4.490
  725   HG21  THR 106          HG21      THR 106   5.545 -17.199  -3.302
  726   HG22  THR 106          HG22      THR 106   6.589 -18.042  -2.144
  727   HG23  THR 106          HG23      THR 106   5.536 -16.739  -1.582
  728    H    GLU 107           H        GLU 107   4.720 -13.245  -3.773
  729    HA   GLU 107           HA       GLU 107   4.527 -14.446  -6.493
  730    HB2  GLU 107           HB2      GLU 107   2.445 -13.764  -4.442
  731    HB3  GLU 107           HB3      GLU 107   2.052 -13.414  -6.126
  732    HG2  GLU 107           HG2      GLU 107   2.970 -16.128  -5.079
  733    HG3  GLU 107           HG3      GLU 107   1.302 -15.676  -5.467
  734    HA   PRO 108           HA       PRO 108   5.305 -10.181  -7.754
  735    HB2  PRO 108           HB2      PRO 108   5.047 -10.460 -10.452
  736    HB3  PRO 108           HB3      PRO 108   6.458 -11.095  -9.553
  737    HG2  PRO 108           HG2      PRO 108   3.965 -12.607 -10.406
  738    HG3  PRO 108           HG3      PRO 108   5.679 -13.078 -10.649
  739    HD2  PRO 108           HD2      PRO 108   4.216 -14.021  -8.564
  740    HD3  PRO 108           HD3      PRO 108   5.945 -13.634  -8.369
  741    H    VAL 109           H        VAL 109   4.120  -8.465  -8.621
  742    HA   VAL 109           HA       VAL 109   1.376  -8.859  -9.642
  743    HB   VAL 109           HB       VAL 109   1.722  -6.512  -7.806
  744   HG11  VAL 109          HG11      VAL 109  -0.620  -8.395  -8.322
  745   HG12  VAL 109          HG12      VAL 109  -0.677  -6.878  -7.401
  746   HG13  VAL 109          HG13      VAL 109  -0.347  -6.844  -9.137
  747   HG21  VAL 109          HG21      VAL 109   2.543  -8.228  -6.269
  748   HG22  VAL 109          HG22      VAL 109   0.942  -7.665  -5.800
  749   HG23  VAL 109          HG23      VAL 109   1.114  -9.240  -6.604
  750    H    THR 110           H        THR 110   0.678  -6.711 -10.772
  751    HA   THR 110           HA       THR 110   2.905  -4.821 -11.304
  752    HB   THR 110           HB       THR 110   1.292  -6.139 -13.521
  753    HG1  THR 110           HG1      THR 110   3.131  -7.155 -13.988
  754   HG21  THR 110          HG21      THR 110   3.516  -4.032 -13.626
  755   HG22  THR 110          HG22      THR 110   2.827  -4.868 -15.029
  756   HG23  THR 110          HG23      THR 110   1.814  -3.789 -14.070
  757    H    ALA 111           H        ALA 111   2.227  -2.770 -11.354
  758    HA   ALA 111           HA       ALA 111  -0.719  -2.245 -11.190
  759    HB1  ALA 111           HB1      ALA 111   1.635  -0.765  -9.972
  760    HB2  ALA 111           HB2      ALA 111  -0.063  -0.270  -9.860
  761    HB3  ALA 111           HB3      ALA 111   0.473  -1.800  -9.128
  762    HA   PRO 112           HA       PRO 112   0.571  -0.262 -15.173
  763    HB2  PRO 112           HB2      PRO 112  -1.646  -0.858 -16.669
  764    HB3  PRO 112           HB3      PRO 112  -0.394  -2.068 -16.285
  765    HG2  PRO 112           HG2      PRO 112  -2.998  -1.590 -14.804
  766    HG3  PRO 112           HG3      PRO 112  -2.368  -3.137 -15.469
  767    HD2  PRO 112           HD2      PRO 112  -1.990  -2.473 -12.877
  768    HD3  PRO 112           HD3      PRO 112  -0.701  -3.287 -13.814
  769    H    ARG 113           H        ARG 113  -0.702   1.043 -12.788
  770    HA   ARG 113           HA       ARG 113  -2.451   3.126 -14.059
  771    HB2  ARG 113           HB2      ARG 113  -2.060   2.175 -11.207
  772    HB3  ARG 113           HB3      ARG 113  -2.594   3.835 -11.514
  773    HG2  ARG 113           HG2      ARG 113  -4.525   3.142 -12.712
  774    HG3  ARG 113           HG3      ARG 113  -3.998   1.452 -12.766
  775    HD2  ARG 113           HD2      ARG 113  -4.571   1.036 -10.544
  776    HD3  ARG 113           HD3      ARG 113  -4.364   2.711 -10.066
  777    HE   ARG 113           HE       ARG 113  -6.608   2.888 -10.218
  778   HH11  ARG 113          HH11      ARG 113  -5.748   0.728 -12.876
  779   HH12  ARG 113          HH12      ARG 113  -7.336   0.754 -13.566
  780   HH21  ARG 113          HH21      ARG 113  -8.676   2.762 -11.002
  781   HH22  ARG 113          HH22      ARG 113  -8.999   1.849 -12.460
  782    H    LEU 114           H        LEU 114   0.732   2.469 -12.953
  783    HA   LEU 114           HA       LEU 114   1.607   5.305 -13.320
  784    HB2  LEU 114           HB2      LEU 114   2.391   3.210 -11.253
  785    HB3  LEU 114           HB3      LEU 114   3.507   4.477 -11.728
  786    HG   LEU 114           HG       LEU 114   2.478   4.939  -9.621
  787   HD11  LEU 114          HD11      LEU 114   1.520   6.929 -11.707
  788   HD12  LEU 114          HD12      LEU 114   1.878   7.253  -9.995
  789   HD13  LEU 114          HD13      LEU 114   3.183   6.774 -11.095
  790   HD21  LEU 114          HD21      LEU 114   0.245   3.848 -10.007
  791   HD22  LEU 114          HD22      LEU 114   0.199   5.430  -9.207
  792   HD23  LEU 114          HD23      LEU 114  -0.234   5.307 -10.912
  793    H    LYS 115           H        LYS 115   3.350   5.462 -14.755
  794    HA   LYS 115           HA       LYS 115   4.003   2.957 -16.208
  795    HB2  LYS 115           HB2      LYS 115   3.053   5.159 -17.253
  796    HB3  LYS 115           HB3      LYS 115   4.666   5.807 -17.016
  797    HG2  LYS 115           HG2      LYS 115   4.468   5.063 -19.275
  798    HG3  LYS 115           HG3      LYS 115   5.571   3.949 -18.465
  799    HD2  LYS 115           HD2      LYS 115   3.859   2.240 -18.324
  800    HD3  LYS 115           HD3      LYS 115   2.593   3.352 -18.863
  801    HE2  LYS 115           HE2      LYS 115   5.012   2.630 -20.570
  802    HE3  LYS 115           HE3      LYS 115   3.541   1.653 -20.563
  803    HZ1  LYS 115           HZ1      LYS 115   3.541   4.537 -21.292
  804    HZ2  LYS 115           HZ2      LYS 115   3.636   3.313 -22.369
  805    HZ3  LYS 115           HZ3      LYS 115   2.303   3.467 -21.449
  806    H    SER 116           H        SER 116   5.588   5.634 -14.458
  807    HA   SER 116           HA       SER 116   8.155   4.047 -14.502
  808    HB2  SER 116           HB2      SER 116   7.565   6.658 -15.675
  809    HB3  SER 116           HB3      SER 116   8.878   6.763 -14.498
  810    HG   SER 116           HG       SER 116   9.893   5.003 -15.547
  811    H    LEU 117           H        LEU 117   9.749   4.439 -12.934
  812    HA   LEU 117           HA       LEU 117   8.907   4.843 -10.206
  813    HB2  LEU 117           HB2      LEU 117  11.524   4.604 -11.698
  814    HB3  LEU 117           HB3      LEU 117  11.582   5.492 -10.205
  815    HG   LEU 117           HG       LEU 117  12.294   3.430  -9.613
  816   HD11  LEU 117          HD11      LEU 117   9.354   3.285  -8.817
  817   HD12  LEU 117          HD12      LEU 117  10.727   2.566  -7.982
  818   HD13  LEU 117          HD13      LEU 117  10.571   4.329  -8.039
  819   HD21  LEU 117          HD21      LEU 117  11.669   2.139 -11.563
  820   HD22  LEU 117          HD22      LEU 117  11.334   1.297 -10.046
  821   HD23  LEU 117          HD23      LEU 117   9.988   2.030 -10.971
  822    H    ASP 118           H        ASP 118  10.443   7.019 -12.550
  823    HA   ASP 118           HA       ASP 118  10.756   9.350 -11.119
  824    HB2  ASP 118           HB2      ASP 118   9.850   8.904 -13.994
  825    HB3  ASP 118           HB3      ASP 118  10.299  10.478 -13.352
  826    H    GLU 119           H        GLU 119   7.652   7.938 -11.972
  827    HA   GLU 119           HA       GLU 119   6.171  10.450 -11.501
  828    HB2  GLU 119           HB2      GLU 119   5.148   7.643 -12.054
  829    HB3  GLU 119           HB3      GLU 119   4.213   9.141 -12.086
  830    HG2  GLU 119           HG2      GLU 119   5.659   9.969 -13.964
  831    HG3  GLU 119           HG3      GLU 119   6.483   8.398 -13.993
  832    H    VAL 120           H        VAL 120   7.366   7.882  -9.561
  833    HA   VAL 120           HA       VAL 120   5.436   8.516  -7.351
  834    HB   VAL 120           HB       VAL 120   5.860   6.205  -6.488
  835   HG11  VAL 120          HG11      VAL 120   4.518   6.350  -9.196
  836   HG12  VAL 120          HG12      VAL 120   4.244   5.136  -7.929
  837   HG13  VAL 120          HG13      VAL 120   3.789   6.825  -7.644
  838   HG21  VAL 120          HG21      VAL 120   7.934   5.709  -7.863
  839   HG22  VAL 120          HG22      VAL 120   6.683   4.453  -7.931
  840   HG23  VAL 120          HG23      VAL 120   6.884   5.574  -9.288
  841    H    LYS 121           H        LYS 121   8.407   9.196  -8.248
  842    HA   LYS 121           HA       LYS 121  10.328   8.909  -6.331
  843    HB2  LYS 121           HB2      LYS 121  11.084  11.132  -7.170
  844    HB3  LYS 121           HB3      LYS 121  10.501  10.111  -8.488
  845    HG2  LYS 121           HG2      LYS 121   8.314  11.245  -8.457
  846    HG3  LYS 121           HG3      LYS 121   8.817  12.224  -7.074
  847    HD2  LYS 121           HD2      LYS 121  10.228  13.572  -8.347
  848    HD3  LYS 121           HD3      LYS 121  10.269  12.425  -9.701
  849    HE2  LYS 121           HE2      LYS 121   8.758  14.430 -10.103
  850    HE3  LYS 121           HE3      LYS 121   8.013  12.848 -10.317
  851    HZ1  LYS 121           HZ1      LYS 121   7.673  14.554  -7.923
  852    HZ2  LYS 121           HZ2      LYS 121   6.536  14.268  -9.077
  853    HZ3  LYS 121           HZ3      LYS 121   7.023  13.057  -8.098
  854    H    ASP 122           H        ASP 122   7.368  10.429  -5.662
  855    HA   ASP 122           HA       ASP 122   8.340  11.942  -3.276
  856    HB2  ASP 122           HB2      ASP 122   6.555  13.571  -3.902
  857    HB3  ASP 122           HB3      ASP 122   7.792  13.396  -5.134
  858    H    LYS 123           H        LYS 123   6.743   9.169  -3.855
  859    HA   LYS 123           HA       LYS 123   4.544   9.629  -1.869
  860    HB2  LYS 123           HB2      LYS 123   4.481   8.365  -4.622
  861    HB3  LYS 123           HB3      LYS 123   3.246   7.988  -3.413
  862    HG2  LYS 123           HG2      LYS 123   2.708  10.354  -3.123
  863    HG3  LYS 123           HG3      LYS 123   3.928  10.821  -4.292
  864    HD2  LYS 123           HD2      LYS 123   1.463   9.148  -4.882
  865    HD3  LYS 123           HD3      LYS 123   1.633  10.871  -5.227
  866    HE2  LYS 123           HE2      LYS 123   3.417   8.690  -6.391
  867    HE3  LYS 123           HE3      LYS 123   2.007   9.357  -7.223
  868    HZ1  LYS 123           HZ1      LYS 123   4.291  11.068  -6.382
  869    HZ2  LYS 123           HZ2      LYS 123   4.130  10.425  -7.881
  870    HZ3  LYS 123           HZ3      LYS 123   3.033  11.505  -7.286
  871    H    ALA 124           H        ALA 124   3.480   7.459  -1.247
  872    HA   ALA 124           HA       ALA 124   5.630   5.503  -0.513
  873    HB1  ALA 124           HB1      ALA 124   3.261   6.470   1.146
  874    HB2  ALA 124           HB2      ALA 124   4.386   5.174   1.607
  875    HB3  ALA 124           HB3      ALA 124   4.979   6.827   1.438
  876    H    LEU 125           H        LEU 125   5.256   3.440  -0.645
  877    HA   LEU 125           HA       LEU 125   2.803   2.182  -1.714
  878    HB2  LEU 125           HB2      LEU 125   5.118   0.910  -0.219
  879    HB3  LEU 125           HB3      LEU 125   3.991   0.118  -1.306
  880    HG   LEU 125           HG       LEU 125   6.125   2.113  -2.173
  881   HD11  LEU 125          HD11      LEU 125   6.130  -0.922  -2.072
  882   HD12  LEU 125          HD12      LEU 125   7.369   0.063  -2.875
  883   HD13  LEU 125          HD13      LEU 125   7.143   0.192  -1.145
  884   HD21  LEU 125          HD21      LEU 125   3.959   1.584  -3.653
  885   HD22  LEU 125          HD22      LEU 125   5.563   1.698  -4.372
  886   HD23  LEU 125          HD23      LEU 125   4.894   0.112  -4.020
  887    H    MET 126           H        MET 126   1.411   0.941  -0.296
  888    HA   MET 126           HA       MET 126   2.451   0.474   2.395
  889    HB2  MET 126           HB2      MET 126   0.975   2.610   2.417
  890    HB3  MET 126           HB3      MET 126  -0.394   1.497   2.306
  891    HG2  MET 126           HG2      MET 126   0.208   0.460   4.402
  892    HG3  MET 126           HG3      MET 126   1.807   1.196   4.390
  893    HE1  MET 126           HE1      MET 126   1.875   4.057   3.984
  894    HE2  MET 126           HE2      MET 126   1.483   4.764   5.567
  895    HE3  MET 126           HE3      MET 126   2.518   3.340   5.457
  896    H    ILE 127           H        ILE 127   2.232  -1.565   2.883
  897    HA   ILE 127           HA       ILE 127   0.395  -3.334   1.328
  898    HB   ILE 127           HB       ILE 127   2.624  -3.948   3.299
  899   HG12  ILE 127          HG12      ILE 127   2.228  -4.723   0.364
  900   HG13  ILE 127          HG13      ILE 127   3.175  -3.342   0.878
  901   HG21  ILE 127          HG21      ILE 127   0.680  -5.898   1.960
  902   HG22  ILE 127          HG22      ILE 127   2.109  -6.361   2.909
  903   HG23  ILE 127          HG23      ILE 127   0.770  -5.554   3.700
  904   HD11  ILE 127          HD11      ILE 127   3.805  -6.268   1.440
  905   HD12  ILE 127          HD12      ILE 127   4.705  -5.128   0.434
  906   HD13  ILE 127          HD13      ILE 127   4.671  -4.916   2.195
  907    H    HIS 128           H        HIS 128  -1.448  -3.750   1.981
  908    HA   HIS 128           HA       HIS 128  -2.448  -2.856   4.618
  909    HB2  HIS 128           HB2      HIS 128  -3.348  -2.873   1.803
  910    HB3  HIS 128           HB3      HIS 128  -4.596  -3.333   2.878
  911    HD1  HIS 128           HD1      HIS 128  -5.733  -1.395   4.184
  912    HD2  HIS 128           HD2      HIS 128  -2.315  -0.410   2.011
  913    HE1  HIS 128           HE1      HIS 128  -5.803   1.149   3.900
  914    H    VAL 129           H        VAL 129  -3.897  -4.158   5.885
  915    HA   VAL 129           HA       VAL 129  -2.895  -6.886   6.012
  916    HB   VAL 129           HB       VAL 129  -5.213  -5.745   7.596
  917   HG11  VAL 129          HG11      VAL 129  -3.460  -8.201   8.071
  918   HG12  VAL 129          HG12      VAL 129  -4.646  -7.557   9.227
  919   HG13  VAL 129          HG13      VAL 129  -5.194  -8.205   7.680
  920   HG21  VAL 129          HG21      VAL 129  -3.169  -4.441   7.988
  921   HG22  VAL 129          HG22      VAL 129  -3.549  -5.410   9.410
  922   HG23  VAL 129          HG23      VAL 129  -2.250  -5.925   8.308
  923    H    GLY 130           H        GLY 130  -6.218  -5.602   5.467
  924    HA2  GLY 130           HA2      GLY 130  -7.047  -8.082   4.057
  925    HA3  GLY 130           HA3      GLY 130  -8.049  -6.645   4.375
  926    H    GLY 131           H        GLY 131  -7.931  -7.901   1.927
  927    HA2  GLY 131           HA2      GLY 131  -6.426  -6.776  -0.160
  928    HA3  GLY 131           HA3      GLY 131  -7.973  -7.566  -0.243
  929    H    ASP 132           H        ASP 132  -8.835  -6.374  -1.689
  930    HA   ASP 132           HA       ASP 132  -9.866  -3.713  -1.211
  931    HB2  ASP 132           HB2      ASP 132  -7.494  -3.231  -1.741
  932    HB3  ASP 132           HB3      ASP 132  -7.643  -4.057  -3.273
  933    H    ASN 133           H        ASN 133 -11.488  -5.380  -1.375
  934    HA   ASN 133           HA       ASN 133 -12.440  -6.024  -4.104
  935    HB2  ASN 133           HB2      ASN 133 -12.272  -8.432  -3.669
  936    HB3  ASN 133           HB3      ASN 133 -10.695  -7.668  -3.572
  937   HD21  ASN 133          HD21      ASN 133 -13.209  -9.339  -1.722
  938   HD22  ASN 133          HD22      ASN 133 -12.234  -9.508  -0.272
  939    H    MET 134           H        MET 134 -13.518  -4.669  -1.480
  940    HA   MET 134           HA       MET 134 -16.226  -5.448  -1.957
  941    HB2  MET 134           HB2      MET 134 -16.875  -6.161   0.285
  942    HB3  MET 134           HB3      MET 134 -15.817  -7.312  -0.513
  943    HG2  MET 134           HG2      MET 134 -13.925  -6.642   0.848
  944    HG3  MET 134           HG3      MET 134 -14.807  -5.270   1.508
  945    HE1  MET 134           HE1      MET 134 -14.453  -9.175   1.403
  946    HE2  MET 134           HE2      MET 134 -15.704  -9.716   2.532
  947    HE3  MET 134           HE3      MET 134 -16.173  -9.021   0.973
  948    H    SER 135           H        SER 135 -17.756  -4.065  -1.067
  949    HA   SER 135           HA       SER 135 -16.678  -1.420  -0.165
  950    HB2  SER 135           HB2      SER 135 -18.766  -2.029  -2.296
  951    HB3  SER 135           HB3      SER 135 -18.228  -0.415  -1.798
  952    HG   SER 135           HG       SER 135 -17.175  -1.174  -3.704
  953    H    ASP 136           H        ASP 136 -18.881   0.034   0.075
  954    HA   ASP 136           HA       ASP 136 -20.869   0.588   0.873
  955    HB2  ASP 136           HB2      ASP 136 -21.492  -1.234  -0.718
  956    HB3  ASP 136           HB3      ASP 136 -21.564  -2.361   0.642
  957    H    GLN 137           H        GLN 137 -19.352  -1.929   2.679
  958    HA   GLN 137           HA       GLN 137 -21.005  -1.920   5.018
  959    HB2  GLN 137           HB2      GLN 137 -18.125  -2.747   4.480
  960    HB3  GLN 137           HB3      GLN 137 -18.931  -3.067   6.015
  961    HG2  GLN 137           HG2      GLN 137 -20.382  -4.662   5.116
  962    HG3  GLN 137           HG3      GLN 137 -20.305  -4.005   3.484
  963   HE21  GLN 137          HE21      GLN 137 -18.373  -4.396   2.165
  964   HE22  GLN 137          HE22      GLN 137 -17.367  -5.801   2.559
  965    HA   PRO 138           HA       PRO 138 -19.974   1.846   6.878
  966    HB2  PRO 138           HB2      PRO 138 -20.207   1.369   9.597
  967    HB3  PRO 138           HB3      PRO 138 -21.581   1.469   8.457
  968    HG2  PRO 138           HG2      PRO 138 -20.164  -1.021   9.451
  969    HG3  PRO 138           HG3      PRO 138 -21.930  -0.706   9.353
  970    HD2  PRO 138           HD2      PRO 138 -20.661  -2.118   7.431
  971    HD3  PRO 138           HD3      PRO 138 -21.937  -0.940   6.998
  972    H    LYS 139           H        LYS 139 -17.995  -0.879   8.133
  973    HA   LYS 139           HA       LYS 139 -15.735   0.980   8.577
  974    HB2  LYS 139           HB2      LYS 139 -15.675  -2.057   8.560
  975    HB3  LYS 139           HB3      LYS 139 -14.383  -0.952   9.022
  976    HG2  LYS 139           HG2      LYS 139 -16.056  -0.121  10.878
  977    HG3  LYS 139           HG3      LYS 139 -16.938  -1.615  10.509
  978    HD2  LYS 139           HD2      LYS 139 -14.531  -2.723  10.770
  979    HD3  LYS 139           HD3      LYS 139 -14.155  -1.258  11.673
  980    HE2  LYS 139           HE2      LYS 139 -16.346  -3.296  12.278
  981    HE3  LYS 139           HE3      LYS 139 -14.803  -3.177  13.105
  982    HZ1  LYS 139           HZ1      LYS 139 -16.977  -1.167  13.222
  983    HZ2  LYS 139           HZ2      LYS 139 -16.511  -2.176  14.403
  984    HZ3  LYS 139           HZ3      LYS 139 -15.502  -0.989  13.959
  985    HA   PRO 140           HA       PRO 140 -15.484   0.878   4.102
  986    HB2  PRO 140           HB2      PRO 140 -13.255   2.442   3.667
  987    HB3  PRO 140           HB3      PRO 140 -14.854   3.082   4.151
  988    HG2  PRO 140           HG2      PRO 140 -12.491   2.431   5.940
  989    HG3  PRO 140           HG3      PRO 140 -13.478   3.930   5.912
  990    HD2  PRO 140           HD2      PRO 140 -13.963   1.972   7.711
  991    HD3  PRO 140           HD3      PRO 140 -15.321   2.840   6.932
  992    H    LEU 141           H        LEU 141 -14.275  -0.016   2.398
  993    HA   LEU 141           HA       LEU 141 -13.272  -1.807   1.422
  994    HB2  LEU 141           HB2      LEU 141 -11.032  -1.178   3.402
  995    HB3  LEU 141           HB3      LEU 141 -10.942  -2.428   2.179
  996    HG   LEU 141           HG       LEU 141 -11.264  -0.749   0.390
  997   HD11  LEU 141          HD11      LEU 141 -10.946   1.248   2.679
  998   HD12  LEU 141          HD12      LEU 141 -10.666   1.650   0.972
  999   HD13  LEU 141          HD13      LEU 141 -12.275   1.161   1.495
 1000   HD21  LEU 141          HD21      LEU 141  -9.047  -1.626   1.036
 1001   HD22  LEU 141          HD22      LEU 141  -8.935   0.058   0.512
 1002   HD23  LEU 141          HD23      LEU 141  -8.876  -0.334   2.246
 1003    H    GLY 142           H        GLY 142 -15.100  -2.159   3.792
 1004    HA2  GLY 142           HA2      GLY 142 -16.024  -3.940   4.953
 1005    HA3  GLY 142           HA3      GLY 142 -14.886  -5.035   4.127
 1006    H    GLY 143           H        GLY 143 -13.425  -2.387   5.765
 1007    HA2  GLY 143           HA2      GLY 143 -12.468  -2.389   8.010
 1008    HA3  GLY 143           HA3      GLY 143 -12.477  -4.168   7.991
 1009    H    GLY 144           H        GLY 144 -11.492  -3.526   4.940
 1010    HA2  GLY 144           HA2      GLY 144  -8.785  -4.219   5.390
 1011    HA3  GLY 144           HA3      GLY 144  -9.489  -3.693   3.848
 1012    H    GLY 145           H        GLY 145  -9.742  -1.300   6.300
 1013    HA2  GLY 145           HA2      GLY 145  -7.832   0.488   5.022
 1014    HA3  GLY 145           HA3      GLY 145  -8.768   0.799   6.502
 1015    H    THR 146           H        THR 146  -7.407  -1.969   7.401
 1016    HA   THR 146           HA       THR 146  -5.309  -0.757   8.974
 1017    HB   THR 146           HB       THR 146  -5.029  -3.178   9.752
 1018    HG1  THR 146           HG1      THR 146  -6.743  -4.537   9.093
 1019   HG21  THR 146          HG21      THR 146  -7.857  -2.020   9.889
 1020   HG22  THR 146          HG22      THR 146  -7.118  -3.170  11.018
 1021   HG23  THR 146          HG23      THR 146  -6.498  -1.516  10.922
 1022    H    ARG 147           H        ARG 147  -3.132  -1.326   9.069
 1023    HA   ARG 147           HA       ARG 147  -1.927  -1.903   6.395
 1024    HB2  ARG 147           HB2      ARG 147  -0.329  -0.521   8.486
 1025    HB3  ARG 147           HB3      ARG 147  -0.362  -0.282   6.752
 1026    HG2  ARG 147           HG2      ARG 147  -2.363   0.784   8.792
 1027    HG3  ARG 147           HG3      ARG 147  -1.048   1.665   8.040
 1028    HD2  ARG 147           HD2      ARG 147  -2.144   1.579   5.848
 1029    HD3  ARG 147           HD3      ARG 147  -3.363   0.472   6.454
 1030    HE   ARG 147           HE       ARG 147  -4.577   2.228   7.200
 1031   HH11  ARG 147          HH11      ARG 147  -1.237   3.390   7.084
 1032   HH12  ARG 147          HH12      ARG 147  -1.584   4.728   8.116
 1033   HH21  ARG 147          HH21      ARG 147  -5.004   4.260   8.201
 1034   HH22  ARG 147          HH22      ARG 147  -3.705   5.397   8.399
 1035    H    TYR 148           H        TYR 148  -0.078  -3.230   6.282
 1036    HA   TYR 148           HA       TYR 148   0.923  -4.347   8.874
 1037    HB2  TYR 148           HB2      TYR 148   0.008  -6.064   7.273
 1038    HB3  TYR 148           HB3      TYR 148   1.348  -5.753   6.179
 1039    HD1  TYR 148           HD1      TYR 148   0.601  -6.694   9.744
 1040    HD2  TYR 148           HD2      TYR 148   3.409  -6.698   6.472
 1041    HE1  TYR 148           HE1      TYR 148   2.102  -8.217  11.033
 1042    HE2  TYR 148           HE2      TYR 148   4.903  -8.219   7.746
 1043    HH   TYR 148           HH       TYR 148   5.191  -9.420   9.698
 1044    H    ALA 149           H        ALA 149   1.917  -2.779   5.782
 1045    HA   ALA 149           HA       ALA 149   4.340  -1.840   7.177
 1046    HB1  ALA 149           HB1      ALA 149   4.512  -3.613   4.698
 1047    HB2  ALA 149           HB2      ALA 149   5.871  -2.817   5.509
 1048    HB3  ALA 149           HB3      ALA 149   4.974  -4.084   6.351
 1049    H    CYS 150           H        CYS 150   5.401  -0.129   6.350
 1050    HA   CYS 150           HA       CYS 150   4.146   1.500   4.186
 1051    HB2  CYS 150           HB2      CYS 150   4.347   2.528   6.460
 1052    HB3  CYS 150           HB3      CYS 150   6.072   2.171   6.442
 1053    H    GLY 151           H        GLY 151   5.347   2.017   2.424
 1054    HA2  GLY 151           HA2      GLY 151   8.290   1.372   2.262
 1055    HA3  GLY 151           HA3      GLY 151   7.163   0.962   0.994
 1056    H    VAL 152           H        VAL 152   8.462   3.868   2.634
 1057    HA   VAL 152           HA       VAL 152   7.469   5.708   0.667
 1058    HB   VAL 152           HB       VAL 152   9.987   5.990   2.345
 1059   HG11  VAL 152          HG11      VAL 152   8.335   8.075   0.837
 1060   HG12  VAL 152          HG12      VAL 152   9.628   8.448   1.999
 1061   HG13  VAL 152          HG13      VAL 152  10.018   7.611   0.497
 1062   HG21  VAL 152          HG21      VAL 152   8.002   5.681   3.760
 1063   HG22  VAL 152          HG22      VAL 152   8.533   7.362   3.838
 1064   HG23  VAL 152          HG23      VAL 152   7.122   6.927   2.847
 1065    H    ILE 153           H        ILE 153   8.136   6.276  -1.365
 1066    HA   ILE 153           HA       ILE 153  10.215   4.578  -2.693
 1067    HB   ILE 153           HB       ILE 153   7.992   6.259  -3.868
 1068   HG12  ILE 153          HG12      ILE 153   7.788   3.242  -3.771
 1069   HG13  ILE 153          HG13      ILE 153   7.270   4.161  -2.384
 1070   HG21  ILE 153          HG21      ILE 153   9.800   4.114  -5.060
 1071   HG22  ILE 153          HG22      ILE 153   8.325   4.667  -5.855
 1072   HG23  ILE 153          HG23      ILE 153   9.629   5.810  -5.578
 1073   HD11  ILE 153          HD11      ILE 153   6.140   4.301  -5.187
 1074   HD12  ILE 153          HD12      ILE 153   5.310   3.907  -3.674
 1075   HD13  ILE 153          HD13      ILE 153   5.812   5.566  -3.977
 1076    H    LYS 154           H        LYS 154  11.652   5.546  -4.251
 1077    HA   LYS 154           HA       LYS 154  11.949   8.510  -4.289
 1078    HB2  LYS 154           HB2      LYS 154  14.068   6.455  -3.492
 1079    HB3  LYS 154           HB3      LYS 154  14.504   7.964  -4.270
 1080    HG2  LYS 154           HG2      LYS 154  14.504   9.025  -2.360
 1081    HG3  LYS 154           HG3      LYS 154  12.780   8.793  -2.192
 1082    HD2  LYS 154           HD2      LYS 154  14.905   6.841  -1.167
 1083    HD3  LYS 154           HD3      LYS 154  14.152   8.129  -0.231
 1084    HE2  LYS 154           HE2      LYS 154  12.810   6.434   0.440
 1085    HE3  LYS 154           HE3      LYS 154  11.879   7.021  -0.932
 1086    HZ1  LYS 154           HZ1      LYS 154  13.725   4.682  -0.992
 1087    HZ2  LYS 154           HZ2      LYS 154  12.086   4.615  -0.923
 1088    HZ3  LYS 154           HZ3      LYS 154  12.811   5.159  -2.260
  Start of MODEL   27
    1    H1   ALA   1           H1       ALA   1  14.298   1.754 -15.344
    2    H2   ALA   1           H2       ALA   1  14.529   3.377 -15.610
    3    H3   ALA   1           H3       ALA   1  13.143   2.860 -14.907
    4    HA   ALA   1           HA       ALA   1  15.784   2.503 -13.718
    5    HB1  ALA   1           HB1      ALA   1  13.657   4.563 -12.989
    6    HB2  ALA   1           HB2      ALA   1  15.207   4.304 -12.162
    7    HB3  ALA   1           HB3      ALA   1  15.189   4.902 -13.827
    8    H    SER   2           H        SER   2  15.308   2.230 -11.152
    9    HA   SER   2           HA       SER   2  12.925   0.590 -10.616
   10    HB2  SER   2           HB2      SER   2  15.584  -0.703 -10.078
   11    HB3  SER   2           HB3      SER   2  13.999  -1.449 -10.266
   12    HG   SER   2           HG       SER   2  14.230  -1.410 -12.453
   13    H    GLU   3           H        GLU   3  12.653   0.239  -8.340
   14    HA   GLU   3           HA       GLU   3  14.737   1.309  -6.562
   15    HB2  GLU   3           HB2      GLU   3  13.301   3.260  -7.125
   16    HB3  GLU   3           HB3      GLU   3  11.911   2.415  -6.404
   17    HG2  GLU   3           HG2      GLU   3  12.927   4.071  -4.870
   18    HG3  GLU   3           HG3      GLU   3  13.027   2.423  -4.213
   19    H    LYS   4           H        LYS   4  15.143  -0.080  -5.122
   20    HA   LYS   4           HA       LYS   4  13.362  -2.196  -4.223
   21    HB2  LYS   4           HB2      LYS   4  15.705  -2.597  -4.851
   22    HB3  LYS   4           HB3      LYS   4  16.261  -1.321  -3.766
   23    HG2  LYS   4           HG2      LYS   4  15.774  -2.610  -1.820
   24    HG3  LYS   4           HG3      LYS   4  14.839  -3.778  -2.751
   25    HD2  LYS   4           HD2      LYS   4  16.987  -4.743  -2.130
   26    HD3  LYS   4           HD3      LYS   4  16.892  -4.545  -3.887
   27    HE2  LYS   4           HE2      LYS   4  18.175  -2.418  -3.704
   28    HE3  LYS   4           HE3      LYS   4  18.307  -2.632  -1.957
   29    HZ1  LYS   4           HZ1      LYS   4  19.333  -4.602  -3.919
   30    HZ2  LYS   4           HZ2      LYS   4  20.240  -3.370  -3.370
   31    HZ3  LYS   4           HZ3      LYS   4  19.716  -4.529  -2.321
   32    H    VAL   5           H        VAL   5  11.635  -0.916  -3.164
   33    HA   VAL   5           HA       VAL   5  12.573   0.854  -1.029
   34    HB   VAL   5           HB       VAL   5  10.050   0.845  -0.359
   35   HG11  VAL   5          HG11      VAL   5  11.050   1.993  -2.969
   36   HG12  VAL   5          HG12      VAL   5   9.755   2.623  -1.902
   37   HG13  VAL   5          HG13      VAL   5  11.451   2.632  -1.355
   38   HG21  VAL   5          HG21      VAL   5   9.198  -0.917  -1.897
   39   HG22  VAL   5          HG22      VAL   5   8.609   0.714  -2.363
   40   HG23  VAL   5          HG23      VAL   5   9.930  -0.033  -3.274
   41    H    GLY   6           H        GLY   6  13.441   0.240   0.648
   42    HA2  GLY   6           HA2      GLY   6  13.241  -2.268   1.993
   43    HA3  GLY   6           HA3      GLY   6  13.946  -0.771   2.656
   44    H    MET   7           H        MET   7  11.330  -2.872   2.576
   45    HA   MET   7           HA       MET   7   9.276  -1.294   3.859
   46    HB2  MET   7           HB2      MET   7   9.697  -4.248   3.326
   47    HB3  MET   7           HB3      MET   7   8.293  -3.659   4.241
   48    HG2  MET   7           HG2      MET   7   8.843  -2.313   1.616
   49    HG3  MET   7           HG3      MET   7   8.268  -3.980   1.566
   50    HE1  MET   7           HE1      MET   7   6.231  -2.911   0.084
   51    HE2  MET   7           HE2      MET   7   5.152  -1.652   0.728
   52    HE3  MET   7           HE3      MET   7   6.845  -1.265   0.396
   53    H    ASN   8           H        ASN   8   9.121  -0.713   5.895
   54    HA   ASN   8           HA       ASN   8  10.028  -2.620   8.012
   55    HB2  ASN   8           HB2      ASN   8   9.404   0.339   8.255
   56    HB3  ASN   8           HB3      ASN   8   9.436  -0.768   9.628
   57   HD21  ASN   8          HD21      ASN   8  11.246  -0.319  10.801
   58   HD22  ASN   8          HD22      ASN   8  12.855  -0.324  10.090
   59    H    LEU   9           H        LEU   9   8.604  -3.183   9.602
   60    HA   LEU   9           HA       LEU   9   5.793  -3.614   9.053
   61    HB2  LEU   9           HB2      LEU   9   7.353  -3.497  11.676
   62    HB3  LEU   9           HB3      LEU   9   5.767  -4.230  11.461
   63    HG   LEU   9           HG       LEU   9   8.352  -5.246  10.169
   64   HD11  LEU   9          HD11      LEU   9   6.787  -6.403  12.506
   65   HD12  LEU   9          HD12      LEU   9   8.313  -7.003  11.814
   66   HD13  LEU   9          HD13      LEU   9   8.277  -5.449  12.658
   67   HD21  LEU   9          HD21      LEU   9   6.418  -5.863   8.813
   68   HD22  LEU   9          HD22      LEU   9   6.952  -7.285   9.734
   69   HD23  LEU   9          HD23      LEU   9   5.533  -6.367  10.270
   70    H    VAL  10           H        VAL  10   4.033  -2.362   9.764
   71    HA   VAL  10           HA       VAL  10   4.489  -0.040  11.521
   72    HB   VAL  10           HB       VAL  10   3.362   1.591  10.219
   73   HG11  VAL  10          HG11      VAL  10   5.314   0.338   8.255
   74   HG12  VAL  10          HG12      VAL  10   4.783   2.034   8.340
   75   HG13  VAL  10          HG13      VAL  10   5.763   1.358   9.639
   76   HG21  VAL  10          HG21      VAL  10   1.654   0.272   9.153
   77   HG22  VAL  10          HG22      VAL  10   2.506   1.217   7.930
   78   HG23  VAL  10          HG23      VAL  10   2.849  -0.519   8.096
   79    H    THR  11           H        THR  11   2.579   1.011  12.142
   80    HA   THR  11           HA       THR  11  -0.001  -0.178  12.190
   81    HB   THR  11           HB       THR  11   1.162  -1.981  13.406
   82    HG1  THR  11           HG1      THR  11  -0.389  -2.119  14.874
   83   HG21  THR  11          HG21      THR  11   1.699   0.056  15.615
   84   HG22  THR  11          HG22      THR  11   2.027  -1.682  15.648
   85   HG23  THR  11          HG23      THR  11   2.944  -0.640  14.553
   86    H    ALA  12           H        ALA  12  -0.645   0.643  14.703
   87    HA   ALA  12           HA       ALA  12  -1.023   3.521  14.577
   88    HB1  ALA  12           HB1      ALA  12  -1.459   1.572  16.878
   89    HB2  ALA  12           HB2      ALA  12  -2.152   3.197  16.723
   90    HB3  ALA  12           HB3      ALA  12  -2.642   1.922  15.589
   91    H    GLN  13           H        GLN  13   1.851   2.329  14.956
   92    HA   GLN  13           HA       GLN  13   2.702   4.317  17.013
   93    HB2  GLN  13           HB2      GLN  13   3.732   1.502  16.446
   94    HB3  GLN  13           HB3      GLN  13   4.818   2.757  17.015
   95    HG2  GLN  13           HG2      GLN  13   4.386   1.801  18.973
   96    HG3  GLN  13           HG3      GLN  13   3.205   3.133  18.979
   97   HE21  GLN  13          HE21      GLN  13   0.934   2.547  18.306
   98   HE22  GLN  13          HE22      GLN  13   0.533   0.822  18.307
   99    H    GLY  14           H        GLY  14   2.722   3.417  13.680
  100    HA2  GLY  14           HA2      GLY  14   3.813   4.510  11.892
  101    HA3  GLY  14           HA3      GLY  14   4.961   5.255  13.045
  102    H    VAL  15           H        VAL  15   6.766   4.591  11.993
  103    HA   VAL  15           HA       VAL  15   7.333   2.069  10.869
  104    HB   VAL  15           HB       VAL  15   9.232   4.228  11.853
  105   HG11  VAL  15          HG11      VAL  15   9.727   1.889   9.961
  106   HG12  VAL  15          HG12      VAL  15  10.852   3.238  10.218
  107   HG13  VAL  15          HG13      VAL  15  10.495   2.130  11.544
  108   HG21  VAL  15          HG21      VAL  15   8.042   3.686   9.099
  109   HG22  VAL  15          HG22      VAL  15   7.673   5.067  10.154
  110   HG23  VAL  15          HG23      VAL  15   9.287   4.900   9.464
  111    H    GLY  16           H        GLY  16   7.795   0.182  11.686
  112    HA2  GLY  16           HA2      GLY  16   8.798  -0.182  14.481
  113    HA3  GLY  16           HA3      GLY  16   7.910  -1.347  13.454
  114    H    GLN  17           H        GLN  17   9.181  -3.056  13.278
  115    HA   GLN  17           HA       GLN  17  12.052  -2.927  12.994
  116    HB2  GLN  17           HB2      GLN  17  10.323  -4.866  13.909
  117    HB3  GLN  17           HB3      GLN  17  10.494  -5.385  12.227
  118    HG2  GLN  17           HG2      GLN  17  13.091  -5.082  12.726
  119    HG3  GLN  17           HG3      GLN  17  12.508  -5.167  14.411
  120   HE21  GLN  17          HE21      GLN  17  12.516  -6.926  11.221
  121   HE22  GLN  17          HE22      GLN  17  12.320  -8.523  11.969
  122    H    SER  18           H        SER  18  13.242  -3.374  11.111
  123    HA   SER  18           HA       SER  18  11.931  -3.166   8.477
  124    HB2  SER  18           HB2      SER  18  14.006  -2.048   8.727
  125    HB3  SER  18           HB3      SER  18  14.800  -3.517   9.326
  126    HG   SER  18           HG       SER  18  15.083  -2.957   7.032
  127    H    ILE  19           H        ILE  19  11.282  -4.917   7.245
  128    HA   ILE  19           HA       ILE  19  11.697  -7.643   8.227
  129    HB   ILE  19           HB       ILE  19   9.485  -7.010   8.430
  130   HG12  ILE  19          HG12      ILE  19   9.508  -8.057   5.604
  131   HG13  ILE  19          HG13      ILE  19   9.966  -8.884   7.105
  132   HG21  ILE  19          HG21      ILE  19   9.414  -5.486   5.809
  133   HG22  ILE  19          HG22      ILE  19   8.018  -5.774   6.859
  134   HG23  ILE  19          HG23      ILE  19   9.329  -4.785   7.448
  135   HD11  ILE  19          HD11      ILE  19   7.199  -7.816   6.350
  136   HD12  ILE  19          HD12      ILE  19   7.678  -9.514   6.481
  137   HD13  ILE  19          HD13      ILE  19   7.608  -8.501   7.937
  138    H    GLY  20           H        GLY  20  11.937  -5.424   5.476
  139    HA2  GLY  20           HA2      GLY  20  12.292  -7.694   3.636
  140    HA3  GLY  20           HA3      GLY  20  10.751  -6.844   3.643
  141    H    THR  21           H        THR  21  11.837  -6.809   1.274
  142    HA   THR  21           HA       THR  21  11.618  -3.913   1.138
  143    HB   THR  21           HB       THR  21  13.103  -3.369  -0.414
  144    HG1  THR  21           HG1      THR  21  13.358  -5.955  -1.501
  145   HG21  THR  21          HG21      THR  21  14.583  -5.850   0.521
  146   HG22  THR  21          HG22      THR  21  15.279  -4.438  -0.284
  147   HG23  THR  21          HG23      THR  21  14.577  -4.264   1.326
  148    H    VAL  22           H        VAL  22  10.548  -3.304  -1.006
  149    HA   VAL  22           HA       VAL  22   9.765  -5.756  -2.457
  150    HB   VAL  22           HB       VAL  22   7.927  -3.315  -2.392
  151   HG11  VAL  22          HG11      VAL  22   8.113  -5.857  -4.046
  152   HG12  VAL  22          HG12      VAL  22   6.590  -5.065  -3.852
  153   HG13  VAL  22          HG13      VAL  22   7.934  -4.194  -4.625
  154   HG21  VAL  22          HG21      VAL  22   7.605  -4.764  -0.398
  155   HG22  VAL  22          HG22      VAL  22   6.238  -4.913  -1.498
  156   HG23  VAL  22          HG23      VAL  22   7.470  -6.181  -1.458
  157    H    VAL  23           H        VAL  23  10.622  -5.696  -4.471
  158    HA   VAL  23           HA       VAL  23  11.975  -3.152  -5.190
  159    HB   VAL  23           HB       VAL  23  13.030  -4.187  -6.944
  160   HG11  VAL  23          HG11      VAL  23  13.335  -5.981  -4.509
  161   HG12  VAL  23          HG12      VAL  23  14.558  -5.707  -5.771
  162   HG13  VAL  23          HG13      VAL  23  14.071  -4.379  -4.716
  163   HG21  VAL  23          HG21      VAL  23  11.494  -5.695  -7.801
  164   HG22  VAL  23          HG22      VAL  23  13.094  -6.411  -7.589
  165   HG23  VAL  23          HG23      VAL  23  11.824  -6.812  -6.408
  166    H    ILE  24           H        ILE  24  11.265  -1.752  -6.553
  167    HA   ILE  24           HA       ILE  24   8.815  -2.405  -8.157
  168    HB   ILE  24           HB       ILE  24   9.789   0.354  -7.363
  169   HG12  ILE  24          HG12      ILE  24   7.360  -0.903  -6.088
  170   HG13  ILE  24          HG13      ILE  24   8.767  -1.145  -5.282
  171   HG21  ILE  24          HG21      ILE  24   7.210  -0.775  -8.594
  172   HG22  ILE  24          HG22      ILE  24   7.434   0.931  -8.149
  173   HG23  ILE  24          HG23      ILE  24   8.423   0.219  -9.416
  174   HD11  ILE  24          HD11      ILE  24   7.571   1.560  -6.007
  175   HD12  ILE  24          HD12      ILE  24   7.643   0.794  -4.417
  176   HD13  ILE  24          HD13      ILE  24   9.142   1.355  -5.191
  177    H    ASP  25           H        ASP  25   9.111  -2.576 -10.287
  178    HA   ASP  25           HA       ASP  25  11.301  -1.045 -11.634
  179    HB2  ASP  25           HB2      ASP  25  11.995  -3.356 -11.185
  180    HB3  ASP  25           HB3      ASP  25  10.572  -3.973 -12.057
  181    H    GLU  26           H        GLU  26  10.612   0.028 -13.357
  182    HA   GLU  26           HA       GLU  26   7.717  -0.023 -13.954
  183    HB2  GLU  26           HB2      GLU  26   8.242   2.048 -15.308
  184    HB3  GLU  26           HB3      GLU  26   8.542   2.141 -13.557
  185    HG2  GLU  26           HG2      GLU  26  10.905   1.784 -13.874
  186    HG3  GLU  26           HG3      GLU  26  10.717   1.591 -15.624
  187    H    THR  27           H        THR  27   6.677  -0.509 -15.879
  188    HA   THR  27           HA       THR  27   8.241  -0.844 -18.351
  189    HB   THR  27           HB       THR  27   8.509  -3.034 -17.327
  190    HG1  THR  27           HG1      THR  27   7.564  -4.213 -19.086
  191   HG21  THR  27          HG21      THR  27   5.483  -3.140 -17.176
  192   HG22  THR  27          HG22      THR  27   6.531  -4.572 -17.113
  193   HG23  THR  27          HG23      THR  27   6.656  -3.326 -15.867
  194    H    GLU  28           H        GLU  28   6.447  -1.749 -20.046
  195    HA   GLU  28           HA       GLU  28   4.419   0.368 -20.087
  196    HB2  GLU  28           HB2      GLU  28   5.637  -0.182 -22.067
  197    HB3  GLU  28           HB3      GLU  28   5.036  -1.857 -22.054
  198    HG2  GLU  28           HG2      GLU  28   2.839  -1.192 -22.644
  199    HG3  GLU  28           HG3      GLU  28   3.060   0.439 -22.006
  200    H    GLY  29           H        GLY  29   4.511  -2.827 -18.836
  201    HA2  GLY  29           HA2      GLY  29   1.571  -2.821 -18.396
  202    HA3  GLY  29           HA3      GLY  29   2.718  -4.047 -17.766
  203    H    GLY  30           H        GLY  30   3.790  -0.947 -17.425
  204    HA2  GLY  30           HA2      GLY  30   3.833   0.706 -15.820
  205    HA3  GLY  30           HA3      GLY  30   2.462  -0.071 -15.028
  206    H    LEU  31           H        LEU  31   3.143   0.113 -12.982
  207    HA   LEU  31           HA       LEU  31   5.916  -0.401 -12.219
  208    HB2  LEU  31           HB2      LEU  31   3.402   0.114 -10.574
  209    HB3  LEU  31           HB3      LEU  31   5.041   0.017  -9.894
  210    HG   LEU  31           HG       LEU  31   4.133   2.066 -11.982
  211   HD11  LEU  31          HD11      LEU  31   4.601   2.446  -8.995
  212   HD12  LEU  31          HD12      LEU  31   4.122   3.694 -10.174
  213   HD13  LEU  31          HD13      LEU  31   3.013   2.372  -9.792
  214   HD21  LEU  31          HD21      LEU  31   6.548   1.697 -12.139
  215   HD22  LEU  31          HD22      LEU  31   6.239   3.246 -11.353
  216   HD23  LEU  31          HD23      LEU  31   6.717   1.852 -10.373
  217    H    LYS  32           H        LYS  32   6.722  -2.385 -12.290
  218    HA   LYS  32           HA       LYS  32   5.167  -4.705 -11.484
  219    HB2  LYS  32           HB2      LYS  32   6.990  -4.548 -13.359
  220    HB3  LYS  32           HB3      LYS  32   8.134  -4.768 -12.033
  221    HG2  LYS  32           HG2      LYS  32   6.738  -6.831 -11.351
  222    HG3  LYS  32           HG3      LYS  32   5.809  -6.576 -12.830
  223    HD2  LYS  32           HD2      LYS  32   7.335  -8.214 -13.428
  224    HD3  LYS  32           HD3      LYS  32   8.059  -6.733 -14.091
  225    HE2  LYS  32           HE2      LYS  32   9.521  -6.572 -12.064
  226    HE3  LYS  32           HE3      LYS  32   8.729  -8.027 -11.408
  227    HZ1  LYS  32           HZ1      LYS  32  10.589  -7.790 -13.673
  228    HZ2  LYS  32           HZ2      LYS  32  10.697  -8.786 -12.402
  229    HZ3  LYS  32           HZ3      LYS  32   9.596  -9.120 -13.560
  230    H    PHE  33           H        PHE  33   4.790  -5.020  -9.411
  231    HA   PHE  33           HA       PHE  33   6.661  -4.168  -7.279
  232    HB2  PHE  33           HB2      PHE  33   3.907  -4.141  -7.438
  233    HB3  PHE  33           HB3      PHE  33   4.155  -5.702  -6.666
  234    HD1  PHE  33           HD1      PHE  33   5.928  -2.417  -6.289
  235    HD2  PHE  33           HD2      PHE  33   3.532  -5.473  -4.445
  236    HE1  PHE  33           HE1      PHE  33   6.284  -1.349  -4.061
  237    HE2  PHE  33           HE2      PHE  33   3.774  -4.321  -2.246
  238    HZ   PHE  33           HZ       PHE  33   5.134  -2.264  -2.070
  239    H    THR  34           H        THR  34   8.389  -5.725  -6.998
  240    HA   THR  34           HA       THR  34   7.614  -8.636  -7.108
  241    HB   THR  34           HB       THR  34  10.309  -7.433  -7.637
  242    HG1  THR  34           HG1      THR  34   8.735  -6.990  -9.171
  243   HG21  THR  34          HG21      THR  34   9.210 -10.266  -7.942
  244   HG22  THR  34          HG22      THR  34  10.806  -9.713  -8.494
  245   HG23  THR  34          HG23      THR  34  10.437  -9.752  -6.763
  246    HA   PRO  35           HA       PRO  35   8.485  -7.738  -2.735
  247    HB2  PRO  35           HB2      PRO  35   6.673  -9.445  -1.599
  248    HB3  PRO  35           HB3      PRO  35   6.159  -7.929  -2.425
  249    HG2  PRO  35           HG2      PRO  35   6.241 -10.745  -3.497
  250    HG3  PRO  35           HG3      PRO  35   4.897  -9.564  -3.626
  251    HD2  PRO  35           HD2      PRO  35   6.709 -10.009  -5.633
  252    HD3  PRO  35           HD3      PRO  35   5.978  -8.398  -5.327
  253    H    HIS  36           H        HIS  36   9.601  -8.774  -1.056
  254    HA   HIS  36           HA       HIS  36  10.082 -11.667  -1.222
  255    HB2  HIS  36           HB2      HIS  36  12.445 -11.566  -1.451
  256    HB3  HIS  36           HB3      HIS  36  11.695 -10.728  -2.815
  257    HD1  HIS  36           HD1      HIS  36  14.401 -10.392  -0.474
  258    HD2  HIS  36           HD2      HIS  36  12.024  -7.865  -2.814
  259    HE1  HIS  36           HE1      HIS  36  15.649  -8.162  -0.569
  260    H    LEU  37           H        LEU  37   8.612 -10.463   0.645
  261    HA   LEU  37           HA       LEU  37  10.210  -9.941   3.094
  262    HB2  LEU  37           HB2      LEU  37   7.193  -9.782   2.710
  263    HB3  LEU  37           HB3      LEU  37   8.143  -9.191   4.077
  264    HG   LEU  37           HG       LEU  37   9.272  -7.706   2.090
  265   HD11  LEU  37          HD11      LEU  37   6.360  -8.160   1.248
  266   HD12  LEU  37          HD12      LEU  37   7.430  -6.894   0.636
  267   HD13  LEU  37          HD13      LEU  37   7.806  -8.586   0.303
  268   HD21  LEU  37          HD21      LEU  37   8.357  -6.762   4.134
  269   HD22  LEU  37          HD22      LEU  37   7.673  -5.893   2.760
  270   HD23  LEU  37          HD23      LEU  37   6.694  -7.102   3.610
  271    H    LYS  38           H        LYS  38   9.902 -11.092   5.041
  272    HA   LYS  38           HA       LYS  38   8.591 -13.769   4.850
  273    HB2  LYS  38           HB2      LYS  38  10.665 -14.840   5.545
  274    HB3  LYS  38           HB3      LYS  38  10.867 -13.966   4.050
  275    HG2  LYS  38           HG2      LYS  38  11.635 -12.070   6.028
  276    HG3  LYS  38           HG3      LYS  38  12.197 -13.627   6.672
  277    HD2  LYS  38           HD2      LYS  38  13.994 -12.685   5.368
  278    HD3  LYS  38           HD3      LYS  38  13.325 -14.054   4.459
  279    HE2  LYS  38           HE2      LYS  38  11.813 -12.313   3.287
  280    HE3  LYS  38           HE3      LYS  38  12.822 -11.068   4.018
  281    HZ1  LYS  38           HZ1      LYS  38  13.886 -13.239   2.283
  282    HZ2  LYS  38           HZ2      LYS  38  13.423 -11.762   1.708
  283    HZ3  LYS  38           HZ3      LYS  38  14.704 -11.927   2.744
  284    H    ALA  39           H        ALA  39   7.441 -11.805   6.314
  285    HA   ALA  39           HA       ALA  39   7.166 -12.900   8.938
  286    HB1  ALA  39           HB1      ALA  39   8.829 -10.344   8.758
  287    HB2  ALA  39           HB2      ALA  39   8.118 -10.991  10.249
  288    HB3  ALA  39           HB3      ALA  39   9.358 -11.907   9.396
  289    H    LEU  40           H        LEU  40   5.194 -12.498   7.149
  290    HA   LEU  40           HA       LEU  40   3.687 -10.224   8.324
  291    HB2  LEU  40           HB2      LEU  40   2.624 -10.806   5.649
  292    HB3  LEU  40           HB3      LEU  40   2.959  -9.338   6.478
  293    HG   LEU  40           HG       LEU  40   5.470  -9.706   5.719
  294   HD11  LEU  40          HD11      LEU  40   4.098 -11.501   3.709
  295   HD12  LEU  40          HD12      LEU  40   5.826 -11.144   3.826
  296   HD13  LEU  40          HD13      LEU  40   5.038 -12.134   5.055
  297   HD21  LEU  40          HD21      LEU  40   3.976  -7.994   4.722
  298   HD22  LEU  40          HD22      LEU  40   4.950  -8.777   3.463
  299   HD23  LEU  40          HD23      LEU  40   3.252  -9.238   3.671
  300    HA   PRO  41           HA       PRO  41   0.550 -13.041   9.048
  301    HB2  PRO  41           HB2      PRO  41  -1.822 -11.649   8.411
  302    HB3  PRO  41           HB3      PRO  41  -0.924 -11.541   9.947
  303    HG2  PRO  41           HG2      PRO  41  -0.723  -9.771   7.546
  304    HG3  PRO  41           HG3      PRO  41  -0.837  -9.298   9.273
  305    HD2  PRO  41           HD2      PRO  41   1.557  -9.341   8.102
  306    HD3  PRO  41           HD3      PRO  41   1.307 -10.086   9.716
  307    HA   PRO  42           HA       PRO  42   0.856 -14.891   5.269
  308    HB2  PRO  42           HB2      PRO  42   0.343 -17.399   5.943
  309    HB3  PRO  42           HB3      PRO  42   1.312 -16.405   7.058
  310    HG2  PRO  42           HG2      PRO  42  -1.710 -16.800   7.129
  311    HG3  PRO  42           HG3      PRO  42  -0.553 -17.250   8.411
  312    HD2  PRO  42           HD2      PRO  42  -1.731 -14.736   8.332
  313    HD3  PRO  42           HD3      PRO  42  -0.058 -15.004   8.934
  314    H    GLY  43           H        GLY  43  -1.635 -13.467   5.206
  315    HA2  GLY  43           HA2      GLY  43  -3.229 -15.104   3.388
  316    HA3  GLY  43           HA3      GLY  43  -4.038 -13.974   4.519
  317    H    GLU  44           H        GLU  44  -4.432 -13.615   1.924
  318    HA   GLU  44           HA       GLU  44  -2.577 -11.822   0.641
  319    HB2  GLU  44           HB2      GLU  44  -4.252 -11.541  -1.084
  320    HB3  GLU  44           HB3      GLU  44  -4.049 -13.239  -0.639
  321    HG2  GLU  44           HG2      GLU  44  -6.121 -13.009   0.843
  322    HG3  GLU  44           HG3      GLU  44  -6.349 -11.406   0.113
  323    H    HIS  45           H        HIS  45  -2.551  -9.685   0.329
  324    HA   HIS  45           HA       HIS  45  -4.169  -7.958   2.182
  325    HB2  HIS  45           HB2      HIS  45  -1.195  -8.176   1.523
  326    HB3  HIS  45           HB3      HIS  45  -1.848  -6.697   2.227
  327    HD1  HIS  45           HD1      HIS  45  -3.666  -7.679   4.523
  328    HD2  HIS  45           HD2      HIS  45  -0.393  -9.895   3.147
  329    HE1  HIS  45           HE1      HIS  45  -3.222  -9.476   6.294
  330    HE2  HIS  45           HE2      HIS  45  -1.171 -10.828   5.431
  331    H    GLY  46           H        GLY  46  -4.736  -5.847   1.446
  332    HA2  GLY  46           HA2      GLY  46  -4.730  -5.271  -1.255
  333    HA3  GLY  46           HA3      GLY  46  -4.906  -4.059   0.032
  334    H    PHE  47           H        PHE  47  -3.639  -3.418  -2.372
  335    HA   PHE  47           HA       PHE  47  -0.923  -2.650  -1.394
  336    HB2  PHE  47           HB2      PHE  47  -0.549  -4.612  -2.734
  337    HB3  PHE  47           HB3      PHE  47  -1.681  -4.048  -3.967
  338    HD1  PHE  47           HD1      PHE  47   1.281  -2.226  -2.449
  339    HD2  PHE  47           HD2      PHE  47  -0.401  -4.185  -5.894
  340    HE1  PHE  47           HE1      PHE  47   3.136  -1.329  -3.911
  341    HE2  PHE  47           HE2      PHE  47   1.432  -3.251  -7.320
  342    HZ   PHE  47           HZ       PHE  47   3.140  -1.776  -6.310
  343    H    HIS  48           H        HIS  48  -0.824  -0.423  -1.453
  344    HA   HIS  48           HA       HIS  48  -2.355   1.018  -3.583
  345    HB2  HIS  48           HB2      HIS  48  -2.329   1.773  -0.643
  346    HB3  HIS  48           HB3      HIS  48  -2.972   2.782  -1.939
  347    HD2  HIS  48           HD2      HIS  48  -4.639   0.036  -3.194
  348    HE1  HIS  48           HE1      HIS  48  -6.699   0.295   0.486
  349    HE2  HIS  48           HE2      HIS  48  -6.622  -0.785  -1.818
  350    H    ILE  49           H        ILE  49  -1.611   2.968  -4.153
  351    HA   ILE  49           HA       ILE  49   1.080   3.936  -3.253
  352    HB   ILE  49           HB       ILE  49  -0.530   4.384  -5.799
  353   HG12  ILE  49          HG12      ILE  49   2.342   3.442  -5.430
  354   HG13  ILE  49          HG13      ILE  49   0.972   2.307  -5.464
  355   HG21  ILE  49          HG21      ILE  49   2.029   5.819  -4.946
  356   HG22  ILE  49          HG22      ILE  49   1.260   5.929  -6.542
  357   HG23  ILE  49          HG23      ILE  49   0.425   6.570  -5.132
  358   HD11  ILE  49          HD11      ILE  49   1.918   4.028  -7.753
  359   HD12  ILE  49          HD12      ILE  49   2.020   2.261  -7.551
  360   HD13  ILE  49          HD13      ILE  49   0.434   3.035  -7.754
  361    H    HIS  50           H        HIS  50   1.225   5.905  -2.294
  362    HA   HIS  50           HA       HIS  50  -1.345   7.085  -1.373
  363    HB2  HIS  50           HB2      HIS  50   0.694   5.529   0.119
  364    HB3  HIS  50           HB3      HIS  50   0.245   7.036   0.883
  365    HD1  HIS  50           HD1      HIS  50  -2.271   7.242   1.783
  366    HD2  HIS  50           HD2      HIS  50  -1.293   3.662  -0.141
  367    HE1  HIS  50           HE1      HIS  50  -4.216   5.651   2.267
  368    H    ALA  51           H        ALA  51  -1.359   9.224  -0.919
  369    HA   ALA  51           HA       ALA  51   0.061  10.552  -2.884
  370    HB1  ALA  51           HB1      ALA  51  -1.523  11.863  -0.640
  371    HB2  ALA  51           HB2      ALA  51  -1.246  12.496  -2.264
  372    HB3  ALA  51           HB3      ALA  51  -2.262  11.059  -2.041
  373    H    ASN  52           H        ASN  52   0.988  10.519   0.509
  374    HA   ASN  52           HA       ASN  52   3.421  12.094  -0.318
  375    HB2  ASN  52           HB2      ASN  52   2.418  11.802   2.525
  376    HB3  ASN  52           HB3      ASN  52   3.694  12.857   1.926
  377   HD21  ASN  52          HD21      ASN  52   0.594  12.918   3.043
  378   HD22  ASN  52          HD22      ASN  52  -0.035  14.275   2.112
  379    H    GLY  53           H        GLY  53   5.469  11.347   0.363
  380    HA2  GLY  53           HA2      GLY  53   5.788   8.487   0.993
  381    HA3  GLY  53           HA3      GLY  53   7.069   9.702   0.746
  382    H    SER  54           H        SER  54   4.389   9.103   3.049
  383    HA   SER  54           HA       SER  54   6.148   9.919   5.339
  384    HB2  SER  54           HB2      SER  54   3.528  11.259   4.614
  385    HB3  SER  54           HB3      SER  54   4.634  11.695   5.922
  386    HG   SER  54           HG       SER  54   4.821  13.058   4.079
  387    H    CYS  55           H        CYS  55   5.527   7.357   5.554
  388    HA   CYS  55           HA       CYS  55   3.033   6.641   6.570
  389    HB2  CYS  55           HB2      CYS  55   5.785   5.411   6.937
  390    HB3  CYS  55           HB3      CYS  55   4.267   4.589   7.285
  391    H    GLN  56           H        GLN  56   3.964   9.007   8.055
  392    HA   GLN  56           HA       GLN  56   4.331   8.176  10.845
  393    HB2  GLN  56           HB2      GLN  56   3.956  10.870   9.477
  394    HB3  GLN  56           HB3      GLN  56   3.964  10.686  11.226
  395    HG2  GLN  56           HG2      GLN  56   6.163  11.368  10.537
  396    HG3  GLN  56           HG3      GLN  56   6.235   9.725  11.160
  397   HE21  GLN  56          HE21      GLN  56   8.140   9.049  10.012
  398   HE22  GLN  56          HE22      GLN  56   8.124   8.963   8.253
  399    HA   PRO  57           HA       PRO  57  -0.127   8.306  11.485
  400    HB2  PRO  57           HB2      PRO  57  -0.320   7.411  14.010
  401    HB3  PRO  57           HB3      PRO  57   0.342   6.348  12.742
  402    HG2  PRO  57           HG2      PRO  57   1.907   8.015  14.734
  403    HG3  PRO  57           HG3      PRO  57   2.122   6.293  14.317
  404    HD2  PRO  57           HD2      PRO  57   3.572   8.362  13.150
  405    HD3  PRO  57           HD3      PRO  57   3.216   6.819  12.312
  406    H    ALA  58           H        ALA  58  -1.596   9.843  12.218
  407    HA   ALA  58           HA       ALA  58  -0.601  12.228  13.586
  408    HB1  ALA  58           HB1      ALA  58  -3.414  11.391  12.722
  409    HB2  ALA  58           HB2      ALA  58  -2.931  13.001  13.293
  410    HB3  ALA  58           HB3      ALA  58  -2.276  12.372  11.772
  411    H    ILE  59           H        ILE  59  -0.670  12.631  15.747
  412    HA   ILE  59           HA       ILE  59  -1.558  10.510  17.599
  413    HB   ILE  59           HB       ILE  59  -0.445  13.274  18.216
  414   HG12  ILE  59          HG12      ILE  59   1.270  12.195  16.927
  415   HG13  ILE  59          HG13      ILE  59   1.742  12.196  18.610
  416   HG21  ILE  59          HG21      ILE  59  -0.728  10.768  19.931
  417   HG22  ILE  59          HG22      ILE  59   0.195  12.215  20.399
  418   HG23  ILE  59          HG23      ILE  59  -1.544  12.329  20.152
  419   HD11  ILE  59          HD11      ILE  59   0.712   9.832  17.000
  420   HD12  ILE  59          HD12      ILE  59   2.351  10.086  17.608
  421   HD13  ILE  59          HD13      ILE  59   1.035   9.768  18.753
  422    H    LYS  60           H        LYS  60  -3.487  10.362  18.605
  423    HA   LYS  60           HA       LYS  60  -5.080  12.681  19.296
  424    HB2  LYS  60           HB2      LYS  60  -5.301  12.322  16.718
  425    HB3  LYS  60           HB3      LYS  60  -6.263  10.909  17.120
  426    HG2  LYS  60           HG2      LYS  60  -7.940  12.294  18.204
  427    HG3  LYS  60           HG3      LYS  60  -6.868  13.712  18.172
  428    HD2  LYS  60           HD2      LYS  60  -6.902  13.723  15.701
  429    HD3  LYS  60           HD3      LYS  60  -7.976  12.308  15.698
  430    HE2  LYS  60           HE2      LYS  60  -9.698  13.599  16.906
  431    HE3  LYS  60           HE3      LYS  60  -8.620  15.006  16.979
  432    HZ1  LYS  60           HZ1      LYS  60  -9.569  13.788  14.448
  433    HZ2  LYS  60           HZ2      LYS  60 -10.299  15.046  15.173
  434    HZ3  LYS  60           HZ3      LYS  60  -8.757  15.225  14.605
  435    H    ASP  61           H        ASP  61  -6.222  12.191  21.076
  436    HA   ASP  61           HA       ASP  61  -7.403  11.117  22.657
  437    HB2  ASP  61           HB2      ASP  61  -9.021  11.121  20.809
  438    HB3  ASP  61           HB3      ASP  61  -8.484   9.510  20.317
  439    H    GLY  62           H        GLY  62  -4.969  10.274  23.017
  440    HA2  GLY  62           HA2      GLY  62  -3.843   8.671  24.275
  441    HA3  GLY  62           HA3      GLY  62  -5.366   7.754  24.352
  442    H    GLN  63           H        GLN  63  -4.360   8.346  21.147
  443    HA   GLN  63           HA       GLN  63  -2.642   6.052  20.752
  444    HB2  GLN  63           HB2      GLN  63  -4.236   4.727  19.432
  445    HB3  GLN  63           HB3      GLN  63  -4.751   4.902  21.093
  446    HG2  GLN  63           HG2      GLN  63  -6.144   6.983  20.008
  447    HG3  GLN  63           HG3      GLN  63  -6.029   5.948  18.596
  448   HE21  GLN  63          HE21      GLN  63  -7.804   6.596  21.439
  449   HE22  GLN  63          HE22      GLN  63  -8.712   5.093  21.485
  450    H    ALA  64           H        ALA  64  -3.176   5.764  17.912
  451    HA   ALA  64           HA       ALA  64  -2.991   8.460  16.824
  452    HB1  ALA  64           HB1      ALA  64  -0.708   7.972  17.770
  453    HB2  ALA  64           HB2      ALA  64  -0.587   6.589  16.662
  454    HB3  ALA  64           HB3      ALA  64  -0.710   8.248  16.024
  455    H    VAL  65           H        VAL  65  -3.236   8.596  14.626
  456    HA   VAL  65           HA       VAL  65  -4.743   6.350  13.513
  457    HB   VAL  65           HB       VAL  65  -4.157   8.973  12.095
  458   HG11  VAL  65          HG11      VAL  65  -6.464   6.962  11.887
  459   HG12  VAL  65          HG12      VAL  65  -6.263   8.426  10.904
  460   HG13  VAL  65          HG13      VAL  65  -5.129   7.077  10.731
  461   HG21  VAL  65          HG21      VAL  65  -5.156   9.560  14.256
  462   HG22  VAL  65          HG22      VAL  65  -6.363   9.745  12.983
  463   HG23  VAL  65          HG23      VAL  65  -6.415   8.321  14.045
  464    H    ALA  66           H        ALA  66  -3.520   4.719  12.918
  465    HA   ALA  66           HA       ALA  66  -0.948   4.431  12.264
  466    HB1  ALA  66           HB1      ALA  66  -3.232   2.812  11.086
  467    HB2  ALA  66           HB2      ALA  66  -1.548   2.275  11.261
  468    HB3  ALA  66           HB3      ALA  66  -2.526   2.608  12.705
  469    H    ALA  67           H        ALA  67   0.098   5.849  11.000
  470    HA   ALA  67           HA       ALA  67   1.145   6.671   9.192
  471    HB1  ALA  67           HB1      ALA  67   0.113   4.145   7.854
  472    HB2  ALA  67           HB2      ALA  67   1.467   5.156   7.307
  473    HB3  ALA  67           HB3      ALA  67   1.580   4.297   8.842
  474    H    GLU  68           H        GLU  68  -1.587   7.696   9.617
  475    HA   GLU  68           HA       GLU  68  -2.945   8.035   7.154
  476    HB2  GLU  68           HB2      GLU  68  -3.825   8.482   9.495
  477    HB3  GLU  68           HB3      GLU  68  -2.972  10.029   9.446
  478    HG2  GLU  68           HG2      GLU  68  -4.294  10.606   7.360
  479    HG3  GLU  68           HG3      GLU  68  -5.144   9.068   7.512
  480    H    ALA  69           H        ALA  69  -0.140   9.889   8.430
  481    HA   ALA  69           HA       ALA  69  -0.529  12.223   6.857
  482    HB1  ALA  69           HB1      ALA  69   2.048  11.013   7.947
  483    HB2  ALA  69           HB2      ALA  69   1.817  12.696   7.443
  484    HB3  ALA  69           HB3      ALA  69   0.936  12.066   8.852
  485    H    ALA  70           H        ALA  70   0.502   9.118   5.824
  486    HA   ALA  70           HA       ALA  70   1.891   9.840   3.419
  487    HB1  ALA  70           HB1      ALA  70   0.312   7.334   4.077
  488    HB2  ALA  70           HB2      ALA  70   1.598   7.499   2.860
  489    HB3  ALA  70           HB3      ALA  70   1.998   7.626   4.581
  490    H    GLY  71           H        GLY  71  -1.395  10.401   4.175
  491    HA2  GLY  71           HA2      GLY  71  -2.751  11.628   2.644
  492    HA3  GLY  71           HA3      GLY  71  -1.893  10.926   1.291
  493    H    GLY  72           H        GLY  72  -4.277  10.844   0.652
  494    HA2  GLY  72           HA2      GLY  72  -5.628   8.298   1.325
  495    HA3  GLY  72           HA3      GLY  72  -6.097   9.503   0.110
  496    H    HIS  73           H        HIS  73  -6.434   7.568  -1.202
  497    HA   HIS  73           HA       HIS  73  -4.206   5.858  -2.062
  498    HB2  HIS  73           HB2      HIS  73  -7.058   6.153  -3.080
  499    HB3  HIS  73           HB3      HIS  73  -5.921   4.900  -3.583
  500    HD2  HIS  73           HD2      HIS  73  -5.565   5.113   0.076
  501    HE1  HIS  73           HE1      HIS  73  -8.629   2.225  -0.481
  502    HE2  HIS  73           HE2      HIS  73  -6.992   3.280   1.186
  503    H    LEU  74           H        LEU  74  -3.523   8.491  -2.569
  504    HA   LEU  74           HA       LEU  74  -3.145  10.188  -4.037
  505    HB2  LEU  74           HB2      LEU  74  -1.561   8.444  -4.740
  506    HB3  LEU  74           HB3      LEU  74  -2.705   7.835  -5.923
  507    HG   LEU  74           HG       LEU  74  -2.497   9.827  -7.277
  508   HD11  LEU  74          HD11      LEU  74  -0.800  10.986  -5.023
  509   HD12  LEU  74          HD12      LEU  74  -0.918  11.679  -6.656
  510   HD13  LEU  74          HD13      LEU  74  -2.350  11.614  -5.628
  511   HD21  LEU  74          HD21      LEU  74  -0.719   8.071  -7.436
  512   HD22  LEU  74          HD22      LEU  74  -0.117   9.682  -7.865
  513   HD23  LEU  74          HD23      LEU  74   0.265   8.982  -6.278
  514    H    ASP  75           H        ASP  75  -5.462  10.527  -3.531
  515    HA   ASP  75           HA       ASP  75  -7.312  10.193  -5.835
  516    HB2  ASP  75           HB2      ASP  75  -9.019   9.827  -4.033
  517    HB3  ASP  75           HB3      ASP  75  -7.754   8.612  -4.160
  518    HA   PRO  76           HA       PRO  76  -6.901  14.642  -4.249
  519    HB2  PRO  76           HB2      PRO  76  -6.067  15.979  -6.491
  520    HB3  PRO  76           HB3      PRO  76  -4.967  15.046  -5.428
  521    HG2  PRO  76           HG2      PRO  76  -6.290  14.099  -7.992
  522    HG3  PRO  76           HG3      PRO  76  -4.545  14.054  -7.564
  523    HD2  PRO  76           HD2      PRO  76  -6.089  11.887  -7.146
  524    HD3  PRO  76           HD3      PRO  76  -4.898  12.402  -5.913
  525    H    GLN  77           H        GLN  77  -8.760  13.414  -6.980
  526    HA   GLN  77           HA       GLN  77 -10.911  15.333  -6.585
  527    HB2  GLN  77           HB2      GLN  77 -10.750  16.385  -8.830
  528    HB3  GLN  77           HB3      GLN  77  -9.510  16.834  -7.701
  529    HG2  GLN  77           HG2      GLN  77  -8.325  14.688  -9.123
  530    HG3  GLN  77           HG3      GLN  77  -9.294  15.497 -10.332
  531   HE21  GLN  77          HE21      GLN  77  -6.820  15.722 -11.140
  532   HE22  GLN  77          HE22      GLN  77  -6.065  17.213 -10.600
  533    H    ASN  78           H        ASN  78 -10.652  12.495  -6.527
  534    HA   ASN  78           HA       ASN  78 -11.755  11.516  -9.098
  535    HB2  ASN  78           HB2      ASN  78 -10.466  10.071  -6.739
  536    HB3  ASN  78           HB3      ASN  78 -10.938   9.339  -8.274
  537   HD21  ASN  78          HD21      ASN  78  -9.426   9.297  -9.908
  538   HD22  ASN  78          HD22      ASN  78  -7.953  10.259  -9.884
  539    H    THR  79           H        THR  79 -12.304  10.777  -5.639
  540    HA   THR  79           HA       THR  79 -15.071  10.395  -5.423
  541    HB   THR  79           HB       THR  79 -15.029   8.768  -7.201
  542    HG1  THR  79           HG1      THR  79 -15.280   6.785  -5.826
  543   HG21  THR  79          HG21      THR  79 -12.901   7.216  -5.674
  544   HG22  THR  79          HG22      THR  79 -13.650   6.821  -7.243
  545   HG23  THR  79          HG23      THR  79 -12.570   8.186  -7.122
  546    H    GLY  80           H        GLY  80 -15.573   9.347  -3.419
  547    HA2  GLY  80           HA2      GLY  80 -13.296   9.233  -1.476
  548    HA3  GLY  80           HA3      GLY  80 -15.029   9.327  -1.084
  549    H    LYS  81           H        LYS  81 -15.702   7.164  -3.032
  550    HA   LYS  81           HA       LYS  81 -14.847   4.856  -1.359
  551    HB2  LYS  81           HB2      LYS  81 -16.740   3.646  -2.172
  552    HB3  LYS  81           HB3      LYS  81 -17.188   5.179  -1.447
  553    HG2  LYS  81           HG2      LYS  81 -17.238   6.021  -3.980
  554    HG3  LYS  81           HG3      LYS  81 -17.410   4.295  -4.321
  555    HD2  LYS  81           HD2      LYS  81 -19.186   6.051  -2.565
  556    HD3  LYS  81           HD3      LYS  81 -19.621   5.347  -4.124
  557    HE2  LYS  81           HE2      LYS  81 -19.637   3.100  -3.194
  558    HE3  LYS  81           HE3      LYS  81 -18.958   3.664  -1.660
  559    HZ1  LYS  81           HZ1      LYS  81 -21.600   4.482  -2.708
  560    HZ2  LYS  81           HZ2      LYS  81 -21.386   3.331  -1.574
  561    HZ3  LYS  81           HZ3      LYS  81 -21.007   4.893  -1.239
  562    H    HIS  82           H        HIS  82 -15.022   2.716  -3.090
  563    HA   HIS  82           HA       HIS  82 -12.351   3.227  -4.357
  564    HB2  HIS  82           HB2      HIS  82 -12.260   2.479  -2.043
  565    HB3  HIS  82           HB3      HIS  82 -13.285   1.100  -2.418
  566    HD2  HIS  82           HD2      HIS  82 -12.172  -1.066  -3.012
  567    HE1  HIS  82           HE1      HIS  82  -8.170   0.163  -3.607
  568    HE2  HIS  82           HE2      HIS  82  -9.721  -1.808  -3.385
  569    H    GLU  83           H        GLU  83 -11.471   1.350  -5.609
  570    HA   GLU  83           HA       GLU  83 -13.520   0.451  -7.542
  571    HB2  GLU  83           HB2      GLU  83 -11.833   0.217  -9.165
  572    HB3  GLU  83           HB3      GLU  83 -11.781   1.815  -8.502
  573    HG2  GLU  83           HG2      GLU  83  -9.623   1.653  -7.908
  574    HG3  GLU  83           HG3      GLU  83  -9.859   0.104  -7.097
  575    H    GLY  84           H        GLY  84 -11.160  -1.626  -8.291
  576    HA2  GLY  84           HA2      GLY  84 -11.076  -3.941  -7.997
  577    HA3  GLY  84           HA3      GLY  84 -12.132  -3.820  -6.568
  578    HA   PRO  85           HA       PRO  85 -14.658  -5.528  -9.947
  579    HB2  PRO  85           HB2      PRO  85 -16.858  -6.371  -8.501
  580    HB3  PRO  85           HB3      PRO  85 -15.302  -7.248  -8.594
  581    HG2  PRO  85           HG2      PRO  85 -16.242  -5.358  -6.426
  582    HG3  PRO  85           HG3      PRO  85 -15.492  -6.974  -6.240
  583    HD2  PRO  85           HD2      PRO  85 -14.039  -4.693  -6.012
  584    HD3  PRO  85           HD3      PRO  85 -13.347  -6.144  -6.803
  585    H    GLU  86           H        GLU  86 -15.953  -3.130  -7.619
  586    HA   GLU  86           HA       GLU  86 -18.121  -2.370  -9.449
  587    HB2  GLU  86           HB2      GLU  86 -17.367  -1.137  -6.791
  588    HB3  GLU  86           HB3      GLU  86 -18.904  -0.988  -7.640
  589    HG2  GLU  86           HG2      GLU  86 -17.812  -3.541  -6.369
  590    HG3  GLU  86           HG3      GLU  86 -19.016  -2.474  -5.681
  591    H    GLY  87           H        GLY  87 -14.909  -1.533  -9.429
  592    HA2  GLY  87           HA2      GLY  87 -13.718  -0.012 -10.634
  593    HA3  GLY  87           HA3      GLY  87 -15.259   0.382 -11.410
  594    H    GLN  88           H        GLN  88 -16.046   1.407  -8.541
  595    HA   GLN  88           HA       GLN  88 -15.753   4.106  -9.399
  596    HB2  GLN  88           HB2      GLN  88 -17.752   2.763  -8.322
  597    HB3  GLN  88           HB3      GLN  88 -17.046   3.235  -6.793
  598    HG2  GLN  88           HG2      GLN  88 -18.788   4.805  -7.374
  599    HG3  GLN  88           HG3      GLN  88 -17.255   5.658  -7.515
  600   HE21  GLN  88          HE21      GLN  88 -18.906   7.102  -8.854
  601   HE22  GLN  88          HE22      GLN  88 -18.997   6.689 -10.556
  602    H    GLY  89           H        GLY  89 -13.173   3.549  -8.832
  603    HA2  GLY  89           HA2      GLY  89 -12.529   4.829  -6.184
  604    HA3  GLY  89           HA3      GLY  89 -11.720   3.403  -6.805
  605    H    HIS  90           H        HIS  90  -9.728   4.085  -6.729
  606    HA   HIS  90           HA       HIS  90  -9.039   6.805  -7.723
  607    HB2  HIS  90           HB2      HIS  90  -7.566   5.244  -5.590
  608    HB3  HIS  90           HB3      HIS  90  -7.619   6.974  -5.845
  609    HD2  HIS  90           HD2      HIS  90 -10.095   8.170  -5.214
  610    HE1  HIS  90           HE1      HIS  90 -11.159   5.320  -2.266
  611    HE2  HIS  90           HE2      HIS  90 -11.605   7.656  -3.211
  612    H    LEU  91           H        LEU  91  -6.877   7.157  -8.600
  613    HA   LEU  91           HA       LEU  91  -5.929   4.978 -10.232
  614    HB2  LEU  91           HB2      LEU  91  -4.474   6.531 -11.210
  615    HB3  LEU  91           HB3      LEU  91  -5.941   7.399 -10.835
  616    HG   LEU  91           HG       LEU  91  -4.507   7.988  -8.579
  617   HD11  LEU  91          HD11      LEU  91  -2.447   7.661 -10.818
  618   HD12  LEU  91          HD12      LEU  91  -2.167   8.522  -9.301
  619   HD13  LEU  91          HD13      LEU  91  -2.468   6.779  -9.278
  620   HD21  LEU  91          HD21      LEU  91  -5.599   9.621 -10.055
  621   HD22  LEU  91          HD22      LEU  91  -3.958  10.139  -9.647
  622   HD23  LEU  91          HD23      LEU  91  -4.291   9.440 -11.249
  623    H    GLY  92           H        GLY  92  -4.901   6.089  -7.043
  624    HA2  GLY  92           HA2      GLY  92  -2.487   4.429  -7.059
  625    HA3  GLY  92           HA3      GLY  92  -3.123   5.394  -5.705
  626    H    ASP  93           H        ASP  93  -5.272   3.119  -7.299
  627    HA   ASP  93           HA       ASP  93  -5.037   1.207  -5.026
  628    HB2  ASP  93           HB2      ASP  93  -7.236   1.661  -7.075
  629    HB3  ASP  93           HB3      ASP  93  -7.240   0.378  -5.870
  630    H    LEU  94           H        LEU  94  -4.374  -0.891  -5.384
  631    HA   LEU  94           HA       LEU  94  -3.678  -1.774  -8.129
  632    HB2  LEU  94           HB2      LEU  94  -1.735  -1.880  -5.778
  633    HB3  LEU  94           HB3      LEU  94  -1.440  -2.349  -7.417
  634    HG   LEU  94           HG       LEU  94  -1.933   0.191  -7.955
  635   HD11  LEU  94          HD11      LEU  94  -1.133   1.736  -6.318
  636   HD12  LEU  94          HD12      LEU  94  -2.480   0.839  -5.640
  637   HD13  LEU  94          HD13      LEU  94  -0.831   0.416  -5.155
  638   HD21  LEU  94          HD21      LEU  94   0.322  -1.167  -8.126
  639   HD22  LEU  94          HD22      LEU  94   0.401   0.593  -8.039
  640   HD23  LEU  94          HD23      LEU  94   0.728  -0.381  -6.597
  641    HA   PRO  95           HA       PRO  95  -5.306  -5.565  -6.670
  642    HB2  PRO  95           HB2      PRO  95  -4.128  -7.537  -8.085
  643    HB3  PRO  95           HB3      PRO  95  -4.986  -6.194  -8.906
  644    HG2  PRO  95           HG2      PRO  95  -2.021  -6.499  -8.405
  645    HG3  PRO  95           HG3      PRO  95  -2.833  -6.032  -9.933
  646    HD2  PRO  95           HD2      PRO  95  -1.765  -4.266  -8.074
  647    HD3  PRO  95           HD3      PRO  95  -3.096  -3.821  -9.201
  648    H    VAL  96           H        VAL  96  -5.036  -7.632  -5.519
  649    HA   VAL  96           HA       VAL  96  -3.634  -6.985  -3.217
  650    HB   VAL  96           HB       VAL  96  -4.344  -9.227  -2.295
  651   HG11  VAL  96          HG11      VAL  96  -6.484  -7.484  -3.595
  652   HG12  VAL  96          HG12      VAL  96  -6.717  -8.597  -2.228
  653   HG13  VAL  96          HG13      VAL  96  -5.675  -7.182  -2.044
  654   HG21  VAL  96          HG21      VAL  96  -4.422 -10.527  -4.404
  655   HG22  VAL  96          HG22      VAL  96  -5.976 -10.530  -3.553
  656   HG23  VAL  96          HG23      VAL  96  -5.753  -9.495  -4.981
  657    H    LEU  97           H        LEU  97  -1.967  -7.506  -2.193
  658    HA   LEU  97           HA       LEU  97   0.290  -8.977  -3.288
  659    HB2  LEU  97           HB2      LEU  97   0.264  -6.757  -2.002
  660    HB3  LEU  97           HB3      LEU  97  -0.174  -7.625  -0.589
  661    HG   LEU  97           HG       LEU  97   1.963  -7.918  -0.083
  662   HD11  LEU  97          HD11      LEU  97   2.444  -9.243  -2.797
  663   HD12  LEU  97          HD12      LEU  97   3.607  -9.164  -1.475
  664   HD13  LEU  97          HD13      LEU  97   2.105 -10.070  -1.251
  665   HD21  LEU  97          HD21      LEU  97   2.238  -5.793  -1.268
  666   HD22  LEU  97          HD22      LEU  97   3.713  -6.778  -1.335
  667   HD23  LEU  97          HD23      LEU  97   2.644  -6.677  -2.754
  668    H    VAL  98           H        VAL  98  -0.720 -11.090  -3.405
  669    HA   VAL  98           HA       VAL  98  -1.725 -12.498  -1.170
  670    HB   VAL  98           HB       VAL  98  -0.249 -13.805  -3.461
  671   HG11  VAL  98          HG11      VAL  98  -2.399 -14.822  -1.558
  672   HG12  VAL  98          HG12      VAL  98  -1.797 -15.706  -2.980
  673   HG13  VAL  98          HG13      VAL  98  -0.708 -15.362  -1.638
  674   HG21  VAL  98          HG21      VAL  98  -1.974 -12.335  -4.418
  675   HG22  VAL  98          HG22      VAL  98  -2.491 -14.014  -4.549
  676   HG23  VAL  98          HG23      VAL  98  -3.185 -12.975  -3.283
  677    H    VAL  99           H        VAL  99  -0.872 -13.585   0.453
  678    HA   VAL  99           HA       VAL  99   2.061 -14.009   0.738
  679    HB   VAL  99           HB       VAL  99   0.178 -13.534   3.083
  680   HG11  VAL  99          HG11      VAL  99   3.189 -13.288   2.845
  681   HG12  VAL  99          HG12      VAL  99   2.233 -12.951   4.303
  682   HG13  VAL  99          HG13      VAL  99   2.329 -14.618   3.650
  683   HG21  VAL  99          HG21      VAL  99   0.184 -11.426   1.837
  684   HG22  VAL  99          HG22      VAL  99   1.106 -11.296   3.352
  685   HG23  VAL  99          HG23      VAL  99   1.956 -11.425   1.788
  686    H    ASN 100           H        ASN 100   2.518 -16.130   1.342
  687    HA   ASN 100           HA       ASN 100   0.239 -18.022   1.269
  688    HB2  ASN 100           HB2      ASN 100   1.725 -19.641   0.659
  689    HB3  ASN 100           HB3      ASN 100   2.543 -18.230  -0.002
  690   HD21  ASN 100          HD21      ASN 100   4.424 -17.324   1.369
  691   HD22  ASN 100          HD22      ASN 100   5.235 -18.504   2.404
  692    H    ASN 101           H        ASN 101   0.080 -19.782   2.817
  693    HA   ASN 101           HA       ASN 101  -0.438 -19.217   5.362
  694    HB2  ASN 101           HB2      ASN 101  -0.717 -21.453   5.770
  695    HB3  ASN 101           HB3      ASN 101  -0.845 -21.359   4.016
  696   HD21  ASN 101          HD21      ASN 101   1.812 -21.370   3.139
  697   HD22  ASN 101          HD22      ASN 101   2.722 -22.615   3.917
  698    H    ASP 102           H        ASP 102   2.898 -19.655   4.412
  699    HA   ASP 102           HA       ASP 102   3.916 -20.225   7.118
  700    HB2  ASP 102           HB2      ASP 102   4.682 -21.302   4.912
  701    HB3  ASP 102           HB3      ASP 102   5.485 -19.772   4.554
  702    H    GLY 103           H        GLY 103   3.112 -17.397   5.446
  703    HA2  GLY 103           HA2      GLY 103   3.293 -15.222   6.274
  704    HA3  GLY 103           HA3      GLY 103   4.587 -15.724   7.388
  705    H    ILE 104           H        ILE 104   4.614 -16.282   3.902
  706    HA   ILE 104           HA       ILE 104   6.738 -14.200   3.536
  707    HB   ILE 104           HB       ILE 104   6.695 -17.063   2.485
  708   HG12  ILE 104          HG12      ILE 104   8.957 -15.781   4.030
  709   HG13  ILE 104          HG13      ILE 104   7.613 -16.530   4.879
  710   HG21  ILE 104          HG21      ILE 104   8.666 -14.858   1.749
  711   HG22  ILE 104          HG22      ILE 104   8.810 -16.563   1.295
  712   HG23  ILE 104          HG23      ILE 104   7.480 -15.611   0.661
  713   HD11  ILE 104          HD11      ILE 104   9.490 -17.942   2.947
  714   HD12  ILE 104          HD12      ILE 104   9.421 -18.105   4.709
  715   HD13  ILE 104          HD13      ILE 104   8.065 -18.679   3.722
  716    H    ALA 105           H        ALA 105   6.596 -12.954   1.810
  717    HA   ALA 105           HA       ALA 105   4.191 -13.189   0.043
  718    HB1  ALA 105           HB1      ALA 105   5.891 -10.776   0.855
  719    HB2  ALA 105           HB2      ALA 105   4.477 -10.741  -0.212
  720    HB3  ALA 105           HB3      ALA 105   4.272 -11.174   1.487
  721    H    THR 106           H        THR 106   4.463 -13.204  -2.162
  722    HA   THR 106           HA       THR 106   7.199 -12.961  -3.323
  723    HB   THR 106           HB       THR 106   7.070 -15.150  -2.354
  724    HG1  THR 106           HG1      THR 106   7.213 -14.676  -5.049
  725   HG21  THR 106          HG21      THR 106   4.663 -15.649  -4.173
  726   HG22  THR 106          HG22      THR 106   5.533 -16.885  -3.243
  727   HG23  THR 106          HG23      THR 106   4.646 -15.616  -2.395
  728    H    GLU 107           H        GLU 107   3.827 -12.507  -4.043
  729    HA   GLU 107           HA       GLU 107   3.876 -13.316  -6.740
  730    HB2  GLU 107           HB2      GLU 107   2.142 -11.307  -5.280
  731    HB3  GLU 107           HB3      GLU 107   1.888 -11.717  -6.975
  732    HG2  GLU 107           HG2      GLU 107   1.840 -13.777  -4.738
  733    HG3  GLU 107           HG3      GLU 107   0.426 -12.916  -5.367
  734    HA   PRO 108           HA       PRO 108   6.032  -9.693  -8.533
  735    HB2  PRO 108           HB2      PRO 108   6.500 -10.676 -11.019
  736    HB3  PRO 108           HB3      PRO 108   7.429 -11.212  -9.588
  737    HG2  PRO 108           HG2      PRO 108   5.031 -12.591 -10.848
  738    HG3  PRO 108           HG3      PRO 108   6.612 -13.307 -10.400
  739    HD2  PRO 108           HD2      PRO 108   4.415 -13.422  -8.764
  740    HD3  PRO 108           HD3      PRO 108   6.075 -13.291  -8.125
  741    H    VAL 109           H        VAL 109   3.975  -8.717  -8.110
  742    HA   VAL 109           HA       VAL 109   1.736  -8.675  -9.977
  743    HB   VAL 109           HB       VAL 109   2.671  -6.706  -7.851
  744   HG11  VAL 109          HG11      VAL 109   0.076  -6.685  -9.420
  745   HG12  VAL 109          HG12      VAL 109   0.321  -5.801  -7.894
  746   HG13  VAL 109          HG13      VAL 109   1.290  -5.388  -9.301
  747   HG21  VAL 109          HG21      VAL 109   1.985  -8.876  -6.912
  748   HG22  VAL 109          HG22      VAL 109   0.873  -7.587  -6.463
  749   HG23  VAL 109          HG23      VAL 109   0.417  -8.741  -7.740
  750    H    THR 110           H        THR 110   1.272  -7.116 -11.619
  751    HA   THR 110           HA       THR 110   3.143  -4.830 -11.900
  752    HB   THR 110           HB       THR 110   1.844  -5.744 -14.441
  753    HG1  THR 110           HG1      THR 110   2.681  -7.669 -14.084
  754   HG21  THR 110          HG21      THR 110   4.703  -4.845 -13.914
  755   HG22  THR 110          HG22      THR 110   3.802  -4.800 -15.436
  756   HG23  THR 110          HG23      THR 110   3.376  -3.700 -14.107
  757    H    ALA 111           H        ALA 111   2.138  -2.915 -12.099
  758    HA   ALA 111           HA       ALA 111  -0.855  -2.947 -12.252
  759    HB1  ALA 111           HB1      ALA 111   0.984  -1.262 -10.528
  760    HB2  ALA 111           HB2      ALA 111  -0.786  -1.110 -10.614
  761    HB3  ALA 111           HB3      ALA 111  -0.052  -2.607  -9.996
  762    HA   PRO 112           HA       PRO 112   0.332  -0.097 -15.653
  763    HB2  PRO 112           HB2      PRO 112  -1.752  -0.594 -17.351
  764    HB3  PRO 112           HB3      PRO 112  -0.378  -1.714 -17.154
  765    HG2  PRO 112           HG2      PRO 112  -3.083  -1.839 -15.787
  766    HG3  PRO 112           HG3      PRO 112  -2.223  -3.151 -16.659
  767    HD2  PRO 112           HD2      PRO 112  -2.111  -2.891 -13.953
  768    HD3  PRO 112           HD3      PRO 112  -0.694  -3.450 -14.889
  769    H    ARG 113           H        ARG 113  -1.584   0.341 -13.138
  770    HA   ARG 113           HA       ARG 113  -3.414   2.461 -13.963
  771    HB2  ARG 113           HB2      ARG 113  -2.091   1.842 -11.289
  772    HB3  ARG 113           HB3      ARG 113  -3.357   3.033 -11.521
  773    HG2  ARG 113           HG2      ARG 113  -3.948   0.162 -12.287
  774    HG3  ARG 113           HG3      ARG 113  -3.801   0.582 -10.596
  775    HD2  ARG 113           HD2      ARG 113  -6.087   0.714 -11.025
  776    HD3  ARG 113           HD3      ARG 113  -5.554   2.387 -10.929
  777    HE   ARG 113           HE       ARG 113  -5.413   2.192 -13.525
  778   HH11  ARG 113          HH11      ARG 113  -8.068   0.698 -11.599
  779   HH12  ARG 113          HH12      ARG 113  -8.952   0.343 -13.060
  780   HH21  ARG 113          HH21      ARG 113  -6.805   1.911 -15.261
  781   HH22  ARG 113          HH22      ARG 113  -8.366   1.182 -15.022
  782    H    LEU 114           H        LEU 114  -0.029   2.175 -13.199
  783    HA   LEU 114           HA       LEU 114   0.582   5.047 -13.765
  784    HB2  LEU 114           HB2      LEU 114   1.890   3.062 -11.842
  785    HB3  LEU 114           HB3      LEU 114   2.670   4.533 -12.382
  786    HG   LEU 114           HG       LEU 114   1.858   4.732 -10.133
  787   HD11  LEU 114          HD11      LEU 114   0.339   6.558 -12.023
  788   HD12  LEU 114          HD12      LEU 114   0.694   6.875 -10.309
  789   HD13  LEU 114          HD13      LEU 114   2.022   6.733 -11.468
  790   HD21  LEU 114          HD21      LEU 114  -0.164   3.249 -10.287
  791   HD22  LEU 114          HD22      LEU 114  -0.402   4.775  -9.420
  792   HD23  LEU 114          HD23      LEU 114  -1.022   4.609 -11.061
  793    H    LYS 115           H        LYS 115   2.549   5.225 -15.075
  794    HA   LYS 115           HA       LYS 115   3.530   2.713 -16.337
  795    HB2  LYS 115           HB2      LYS 115   1.983   4.868 -17.754
  796    HB3  LYS 115           HB3      LYS 115   3.244   3.992 -18.623
  797    HG2  LYS 115           HG2      LYS 115   2.189   1.842 -18.217
  798    HG3  LYS 115           HG3      LYS 115   0.954   2.584 -17.183
  799    HD2  LYS 115           HD2      LYS 115   0.092   3.880 -19.020
  800    HD3  LYS 115           HD3      LYS 115   1.325   3.261 -20.125
  801    HE2  LYS 115           HE2      LYS 115  -0.532   1.338 -18.688
  802    HE3  LYS 115           HE3      LYS 115  -1.151   2.275 -20.050
  803    HZ1  LYS 115           HZ1      LYS 115   1.160   0.418 -20.205
  804    HZ2  LYS 115           HZ2      LYS 115  -0.316   0.169 -20.849
  805    HZ3  LYS 115           HZ3      LYS 115   0.616   1.354 -21.449
  806    H    SER 116           H        SER 116   4.533   5.370 -14.745
  807    HA   SER 116           HA       SER 116   7.249   4.487 -15.519
  808    HB2  SER 116           HB2      SER 116   6.425   7.412 -15.590
  809    HB3  SER 116           HB3      SER 116   8.106   6.846 -15.538
  810    HG   SER 116           HG       SER 116   6.548   5.641 -17.470
  811    H    LEU 117           H        LEU 117   8.877   5.246 -13.903
  812    HA   LEU 117           HA       LEU 117   7.770   4.956 -11.206
  813    HB2  LEU 117           HB2      LEU 117   9.696   3.661 -12.104
  814    HB3  LEU 117           HB3      LEU 117  10.630   5.143 -12.248
  815    HG   LEU 117           HG       LEU 117  10.610   5.405  -9.799
  816   HD11  LEU 117          HD11      LEU 117   9.077   2.763  -9.763
  817   HD12  LEU 117          HD12      LEU 117   9.810   3.535  -8.341
  818   HD13  LEU 117          HD13      LEU 117   8.478   4.334  -9.182
  819   HD21  LEU 117          HD21      LEU 117  12.417   4.134 -10.888
  820   HD22  LEU 117          HD22      LEU 117  12.074   3.486  -9.278
  821   HD23  LEU 117          HD23      LEU 117  11.480   2.632 -10.718
  822    H    ASP 118           H        ASP 118   9.615   7.546 -12.922
  823    HA   ASP 118           HA       ASP 118   9.934   9.138 -10.586
  824    HB2  ASP 118           HB2      ASP 118  10.622  10.928 -12.036
  825    HB3  ASP 118           HB3      ASP 118  11.335   9.405 -12.551
  826    H    GLU 119           H        GLU 119   7.078   8.765 -12.538
  827    HA   GLU 119           HA       GLU 119   5.777  11.183 -11.651
  828    HB2  GLU 119           HB2      GLU 119   3.703  10.108 -12.344
  829    HB3  GLU 119           HB3      GLU 119   4.930  10.116 -13.604
  830    HG2  GLU 119           HG2      GLU 119   5.383   7.798 -13.330
  831    HG3  GLU 119           HG3      GLU 119   4.414   7.682 -11.852
  832    H    VAL 120           H        VAL 120   6.557   8.302  -9.915
  833    HA   VAL 120           HA       VAL 120   4.777   9.154  -7.665
  834    HB   VAL 120           HB       VAL 120   4.728   6.776  -6.909
  835   HG11  VAL 120          HG11      VAL 120   3.473   7.306  -9.619
  836   HG12  VAL 120          HG12      VAL 120   2.960   6.096  -8.426
  837   HG13  VAL 120          HG13      VAL 120   2.829   7.821  -8.047
  838   HG21  VAL 120          HG21      VAL 120   6.698   5.955  -8.280
  839   HG22  VAL 120          HG22      VAL 120   5.241   4.958  -8.384
  840   HG23  VAL 120          HG23      VAL 120   5.660   6.050  -9.718
  841    H    LYS 121           H        LYS 121   7.571   9.888  -8.374
  842    HA   LYS 121           HA       LYS 121   9.564   8.868  -6.721
  843    HB2  LYS 121           HB2      LYS 121  10.638  11.049  -7.112
  844    HB3  LYS 121           HB3      LYS 121   9.830  10.477  -8.570
  845    HG2  LYS 121           HG2      LYS 121   7.825  11.940  -7.897
  846    HG3  LYS 121           HG3      LYS 121   8.836  12.624  -6.622
  847    HD2  LYS 121           HD2      LYS 121  10.316  13.645  -8.219
  848    HD3  LYS 121           HD3      LYS 121   9.688  12.645  -9.534
  849    HE2  LYS 121           HE2      LYS 121   8.597  14.637  -9.931
  850    HE3  LYS 121           HE3      LYS 121   7.377  13.701  -9.076
  851    HZ1  LYS 121           HZ1      LYS 121   9.127  15.810  -7.979
  852    HZ2  LYS 121           HZ2      LYS 121   7.531  15.959  -8.247
  853    HZ3  LYS 121           HZ3      LYS 121   8.051  14.984  -7.025
  854    H    ASP 122           H        ASP 122   6.810  10.262  -5.409
  855    HA   ASP 122           HA       ASP 122   8.112  10.975  -2.832
  856    HB2  ASP 122           HB2      ASP 122   8.003  12.965  -4.421
  857    HB3  ASP 122           HB3      ASP 122   6.250  12.881  -4.317
  858    H    LYS 123           H        LYS 123   6.850   8.706  -3.089
  859    HA   LYS 123           HA       LYS 123   4.145   8.961  -1.871
  860    HB2  LYS 123           HB2      LYS 123   4.840   7.202  -4.275
  861    HB3  LYS 123           HB3      LYS 123   3.283   7.252  -3.452
  862    HG2  LYS 123           HG2      LYS 123   4.491   9.576  -5.004
  863    HG3  LYS 123           HG3      LYS 123   3.295   8.443  -5.627
  864    HD2  LYS 123           HD2      LYS 123   1.627   9.111  -4.079
  865    HD3  LYS 123           HD3      LYS 123   2.767  10.042  -3.100
  866    HE2  LYS 123           HE2      LYS 123   1.987  10.709  -5.931
  867    HE3  LYS 123           HE3      LYS 123   1.291  11.451  -4.476
  868    HZ1  LYS 123           HZ1      LYS 123   3.772  11.912  -3.921
  869    HZ2  LYS 123           HZ2      LYS 123   3.944  11.888  -5.575
  870    HZ3  LYS 123           HZ3      LYS 123   2.900  12.939  -4.840
  871    H    ALA 124           H        ALA 124   3.445   7.214  -0.647
  872    HA   ALA 124           HA       ALA 124   5.485   5.176   0.089
  873    HB1  ALA 124           HB1      ALA 124   2.740   5.748   1.265
  874    HB2  ALA 124           HB2      ALA 124   3.953   4.613   1.897
  875    HB3  ALA 124           HB3      ALA 124   4.286   6.346   1.901
  876    H    LEU 125           H        LEU 125   5.420   3.091  -0.535
  877    HA   LEU 125           HA       LEU 125   2.864   1.964  -1.626
  878    HB2  LEU 125           HB2      LEU 125   5.733   1.198  -2.089
  879    HB3  LEU 125           HB3      LEU 125   4.555  -0.074  -1.846
  880    HG   LEU 125           HG       LEU 125   4.586   0.122  -4.119
  881   HD11  LEU 125          HD11      LEU 125   2.329   2.082  -3.631
  882   HD12  LEU 125          HD12      LEU 125   2.436   0.786  -4.841
  883   HD13  LEU 125          HD13      LEU 125   2.181   0.413  -3.118
  884   HD21  LEU 125          HD21      LEU 125   5.864   2.149  -4.288
  885   HD22  LEU 125          HD22      LEU 125   4.562   1.969  -5.477
  886   HD23  LEU 125          HD23      LEU 125   4.349   3.089  -4.079
  887    H    MET 126           H        MET 126   1.654   1.054  -0.274
  888    HA   MET 126           HA       MET 126   2.794   0.118   2.352
  889    HB2  MET 126           HB2      MET 126   0.175   1.427   1.592
  890    HB3  MET 126           HB3      MET 126   0.521   0.741   3.198
  891    HG2  MET 126           HG2      MET 126   2.300   2.358   3.547
  892    HG3  MET 126           HG3      MET 126   2.092   3.013   1.922
  893    HE1  MET 126           HE1      MET 126   2.074   5.195   3.844
  894    HE2  MET 126           HE2      MET 126   0.741   5.371   5.004
  895    HE3  MET 126           HE3      MET 126   1.874   4.012   5.137
  896    H    ILE 127           H        ILE 127   2.515  -1.950   2.817
  897    HA   ILE 127           HA       ILE 127   0.668  -3.694   1.263
  898    HB   ILE 127           HB       ILE 127   2.473  -4.401   3.616
  899   HG12  ILE 127          HG12      ILE 127   2.925  -4.615   0.605
  900   HG13  ILE 127          HG13      ILE 127   3.834  -3.632   1.746
  901   HG21  ILE 127          HG21      ILE 127   0.999  -6.166   1.599
  902   HG22  ILE 127          HG22      ILE 127   2.041  -6.737   2.923
  903   HG23  ILE 127          HG23      ILE 127   0.528  -5.930   3.295
  904   HD11  ILE 127          HD11      ILE 127   3.885  -6.658   1.546
  905   HD12  ILE 127          HD12      ILE 127   5.179  -5.511   1.181
  906   HD13  ILE 127          HD13      ILE 127   4.648  -5.727   2.862
  907    H    HIS 128           H        HIS 128  -1.365  -3.780   1.765
  908    HA   HIS 128           HA       HIS 128  -2.264  -2.387   4.197
  909    HB2  HIS 128           HB2      HIS 128  -2.970  -2.500   1.342
  910    HB3  HIS 128           HB3      HIS 128  -4.376  -2.577   2.342
  911    HD1  HIS 128           HD1      HIS 128  -1.228  -0.422   2.014
  912    HD2  HIS 128           HD2      HIS 128  -5.279  -0.221   2.976
  913    HE1  HIS 128           HE1      HIS 128  -1.766   2.070   2.280
  914    H    VAL 129           H        VAL 129  -3.814  -3.113   5.613
  915    HA   VAL 129           HA       VAL 129  -3.479  -5.872   6.191
  916    HB   VAL 129           HB       VAL 129  -5.384  -3.837   7.362
  917   HG11  VAL 129          HG11      VAL 129  -4.750  -6.637   8.404
  918   HG12  VAL 129          HG12      VAL 129  -5.569  -5.369   9.342
  919   HG13  VAL 129          HG13      VAL 129  -6.345  -6.029   7.902
  920   HG21  VAL 129          HG21      VAL 129  -2.925  -3.424   7.672
  921   HG22  VAL 129          HG22      VAL 129  -3.716  -3.789   9.209
  922   HG23  VAL 129          HG23      VAL 129  -2.754  -5.033   8.386
  923    H    GLY 130           H        GLY 130  -6.426  -4.192   4.922
  924    HA2  GLY 130           HA2      GLY 130  -7.757  -6.790   4.420
  925    HA3  GLY 130           HA3      GLY 130  -8.397  -5.168   4.088
  926    H    GLY 131           H        GLY 131  -7.572  -7.874   2.554
  927    HA2  GLY 131           HA2      GLY 131  -6.647  -7.007   0.021
  928    HA3  GLY 131           HA3      GLY 131  -7.773  -8.342   0.329
  929    H    ASP 132           H        ASP 132  -7.939  -6.708  -1.847
  930    HA   ASP 132           HA       ASP 132  -8.788  -4.131  -0.880
  931    HB2  ASP 132           HB2      ASP 132  -6.612  -5.058  -2.031
  932    HB3  ASP 132           HB3      ASP 132  -7.410  -4.669  -3.510
  933    H    ASN 133           H        ASN 133 -11.004  -5.804  -1.472
  934    HA   ASN 133           HA       ASN 133 -12.256  -4.533  -3.867
  935    HB2  ASN 133           HB2      ASN 133 -13.800  -6.329  -3.867
  936    HB3  ASN 133           HB3      ASN 133 -12.209  -7.032  -3.634
  937   HD21  ASN 133          HD21      ASN 133 -15.237  -6.121  -1.925
  938   HD22  ASN 133          HD22      ASN 133 -15.017  -7.301  -0.632
  939    H    MET 134           H        MET 134 -11.978  -3.495  -0.828
  940    HA   MET 134           HA       MET 134 -14.790  -3.572  -0.035
  941    HB2  MET 134           HB2      MET 134 -12.644  -4.209   1.344
  942    HB3  MET 134           HB3      MET 134 -12.541  -2.488   1.676
  943    HG2  MET 134           HG2      MET 134 -13.751  -3.634   3.455
  944    HG3  MET 134           HG3      MET 134 -14.827  -2.521   2.633
  945    HE1  MET 134           HE1      MET 134 -13.773  -6.266   3.153
  946    HE2  MET 134           HE2      MET 134 -14.949  -7.157   2.166
  947    HE3  MET 134           HE3      MET 134 -13.702  -6.182   1.378
  948    H    SER 135           H        SER 135 -16.206  -1.990   0.099
  949    HA   SER 135           HA       SER 135 -15.792   0.329   1.460
  950    HB2  SER 135           HB2      SER 135 -16.206   2.166  -0.120
  951    HB3  SER 135           HB3      SER 135 -14.648   1.408  -0.361
  952    HG   SER 135           HG       SER 135 -15.870   0.121  -2.043
  953    H    ASP 136           H        ASP 136 -17.772   1.812   1.382
  954    HA   ASP 136           HA       ASP 136 -19.986   2.261   1.327
  955    HB2  ASP 136           HB2      ASP 136 -20.193   0.571  -0.643
  956    HB3  ASP 136           HB3      ASP 136 -20.901  -0.505   0.565
  957    H    GLN 137           H        GLN 137 -19.142   2.421   3.537
  958    HA   GLN 137           HA       GLN 137 -20.619   0.828   5.492
  959    HB2  GLN 137           HB2      GLN 137 -17.558   0.920   5.379
  960    HB3  GLN 137           HB3      GLN 137 -18.458   0.423   6.787
  961    HG2  GLN 137           HG2      GLN 137 -17.896  -1.617   5.930
  962    HG3  GLN 137           HG3      GLN 137 -19.496  -1.410   5.244
  963   HE21  GLN 137          HE21      GLN 137 -19.258  -2.587   3.312
  964   HE22  GLN 137          HE22      GLN 137 -18.127  -2.097   2.071
  965    HA   PRO 138           HA       PRO 138 -20.433   4.787   7.618
  966    HB2  PRO 138           HB2      PRO 138 -20.374   4.086  10.288
  967    HB3  PRO 138           HB3      PRO 138 -21.816   3.919   9.247
  968    HG2  PRO 138           HG2      PRO 138 -19.777   1.781   9.917
  969    HG3  PRO 138           HG3      PRO 138 -21.567   1.689  10.038
  970    HD2  PRO 138           HD2      PRO 138 -20.322   0.713   7.876
  971    HD3  PRO 138           HD3      PRO 138 -21.817   1.666   7.673
  972    H    LYS 139           H        LYS 139 -17.785   2.643   7.700
  973    HA   LYS 139           HA       LYS 139 -16.000   4.901   8.410
  974    HB2  LYS 139           HB2      LYS 139 -15.454   1.962   9.019
  975    HB3  LYS 139           HB3      LYS 139 -14.337   3.303   9.301
  976    HG2  LYS 139           HG2      LYS 139 -15.993   4.277  10.939
  977    HG3  LYS 139           HG3      LYS 139 -16.995   2.837  10.726
  978    HD2  LYS 139           HD2      LYS 139 -14.196   2.960  11.915
  979    HD3  LYS 139           HD3      LYS 139 -15.716   2.579  12.739
  980    HE2  LYS 139           HE2      LYS 139 -15.938   0.569  11.175
  981    HE3  LYS 139           HE3      LYS 139 -14.288   0.895  10.628
  982    HZ1  LYS 139           HZ1      LYS 139 -15.156   0.245  13.366
  983    HZ2  LYS 139           HZ2      LYS 139 -14.318  -0.739  12.374
  984    HZ3  LYS 139           HZ3      LYS 139 -13.626   0.650  13.030
  985    HA   PRO 140           HA       PRO 140 -14.811   4.182   4.244
  986    HB2  PRO 140           HB2      PRO 140 -12.175   5.052   4.155
  987    HB3  PRO 140           HB3      PRO 140 -13.614   6.117   4.189
  988    HG2  PRO 140           HG2      PRO 140 -11.883   5.243   6.519
  989    HG3  PRO 140           HG3      PRO 140 -12.473   6.893   6.130
  990    HD2  PRO 140           HD2      PRO 140 -13.730   5.363   7.969
  991    HD3  PRO 140           HD3      PRO 140 -14.683   6.358   6.825
  992    H    LEU 141           H        LEU 141 -14.196   2.489   3.087
  993    HA   LEU 141           HA       LEU 141 -13.387   0.443   2.460
  994    HB2  LEU 141           HB2      LEU 141 -10.990   1.038   4.228
  995    HB3  LEU 141           HB3      LEU 141 -11.049  -0.040   2.844
  996    HG   LEU 141           HG       LEU 141 -11.403   2.993   2.672
  997   HD11  LEU 141          HD11      LEU 141  -8.951   1.314   2.045
  998   HD12  LEU 141          HD12      LEU 141  -9.149   3.079   1.845
  999   HD13  LEU 141          HD13      LEU 141  -9.170   2.379   3.458
 1000   HD21  LEU 141          HD21      LEU 141 -12.475   1.825   0.784
 1001   HD22  LEU 141          HD22      LEU 141 -11.016   2.668   0.253
 1002   HD23  LEU 141          HD23      LEU 141 -10.983   0.906   0.484
 1003    H    GLY 142           H        GLY 142 -14.934   0.737   5.102
 1004    HA2  GLY 142           HA2      GLY 142 -15.808  -0.698   6.675
 1005    HA3  GLY 142           HA3      GLY 142 -14.892  -2.033   5.931
 1006    H    GLY 143           H        GLY 143 -12.843   0.533   6.785
 1007    HA2  GLY 143           HA2      GLY 143 -11.419   0.840   8.667
 1008    HA3  GLY 143           HA3      GLY 143 -12.030  -0.669   9.395
 1009    H    GLY 144           H        GLY 144 -11.504  -1.630   6.300
 1010    HA2  GLY 144           HA2      GLY 144  -9.104  -3.071   6.979
 1011    HA3  GLY 144           HA3      GLY 144  -9.942  -3.064   5.407
 1012    H    GLY 145           H        GLY 145  -9.245   0.086   6.098
 1013    HA2  GLY 145           HA2      GLY 145  -7.096   0.292   4.149
 1014    HA3  GLY 145           HA3      GLY 145  -7.870   1.620   5.051
 1015    H    THR 146           H        THR 146  -6.737  -0.694   7.263
 1016    HA   THR 146           HA       THR 146  -4.498   0.957   8.117
 1017    HB   THR 146           HB       THR 146  -4.175  -1.021   9.741
 1018    HG1  THR 146           HG1      THR 146  -6.156  -2.256   9.871
 1019   HG21  THR 146          HG21      THR 146  -6.884   0.392   9.726
 1020   HG22  THR 146          HG22      THR 146  -6.071  -0.337  11.128
 1021   HG23  THR 146          HG23      THR 146  -5.368   1.086  10.345
 1022    H    ARG 147           H        ARG 147  -2.360   0.016   8.485
 1023    HA   ARG 147           HA       ARG 147  -1.375  -1.302   5.976
 1024    HB2  ARG 147           HB2      ARG 147  -0.109   0.776   7.815
 1025    HB3  ARG 147           HB3      ARG 147   0.683   0.009   6.441
 1026    HG2  ARG 147           HG2      ARG 147   0.118   2.169   5.812
 1027    HG3  ARG 147           HG3      ARG 147  -0.965   1.102   4.921
 1028    HD2  ARG 147           HD2      ARG 147  -2.857   1.881   6.030
 1029    HD3  ARG 147           HD3      ARG 147  -1.955   2.345   7.482
 1030    HE   ARG 147           HE       ARG 147  -0.939   4.182   6.054
 1031   HH11  ARG 147          HH11      ARG 147  -4.321   3.197   5.375
 1032   HH12  ARG 147          HH12      ARG 147  -4.695   4.860   4.931
 1033   HH21  ARG 147          HH21      ARG 147  -1.675   6.230   5.603
 1034   HH22  ARG 147          HH22      ARG 147  -3.302   6.423   4.981
 1035    H    TYR 148           H        TYR 148  -0.058  -3.116   6.234
 1036    HA   TYR 148           HA       TYR 148   0.836  -3.858   8.997
 1037    HB2  TYR 148           HB2      TYR 148  -0.226  -5.661   7.657
 1038    HB3  TYR 148           HB3      TYR 148   1.068  -5.580   6.457
 1039    HD1  TYR 148           HD1      TYR 148   0.363  -6.311  10.051
 1040    HD2  TYR 148           HD2      TYR 148   3.223  -6.513   6.828
 1041    HE1  TYR 148           HE1      TYR 148   1.819  -7.789  11.431
 1042    HE2  TYR 148           HE2      TYR 148   4.674  -7.979   8.205
 1043    HH   TYR 148           HH       TYR 148   4.895  -9.138  10.169
 1044    H    ALA 149           H        ALA 149   2.110  -2.840   5.821
 1045    HA   ALA 149           HA       ALA 149   4.661  -2.160   7.113
 1046    HB1  ALA 149           HB1      ALA 149   4.540  -4.122   4.777
 1047    HB2  ALA 149           HB2      ALA 149   6.012  -3.428   5.471
 1048    HB3  ALA 149           HB3      ALA 149   5.013  -4.517   6.449
 1049    H    CYS 150           H        CYS 150   5.951  -0.729   5.991
 1050    HA   CYS 150           HA       CYS 150   4.715   0.738   3.699
 1051    HB2  CYS 150           HB2      CYS 150   4.240   2.056   5.627
 1052    HB3  CYS 150           HB3      CYS 150   5.828   1.734   6.327
 1053    H    GLY 151           H        GLY 151   5.996   1.064   2.085
 1054    HA2  GLY 151           HA2      GLY 151   8.968   1.330   2.375
 1055    HA3  GLY 151           HA3      GLY 151   8.222   0.495   1.003
 1056    H    VAL 152           H        VAL 152   8.773   3.596   2.482
 1057    HA   VAL 152           HA       VAL 152   7.424   5.248   0.518
 1058    HB   VAL 152           HB       VAL 152   9.759   5.834   2.377
 1059   HG11  VAL 152          HG11      VAL 152   8.269   7.723   0.502
 1060   HG12  VAL 152          HG12      VAL 152   9.280   8.263   1.863
 1061   HG13  VAL 152          HG13      VAL 152  10.013   7.385   0.526
 1062   HG21  VAL 152          HG21      VAL 152   7.594   5.468   3.500
 1063   HG22  VAL 152          HG22      VAL 152   8.060   7.163   3.607
 1064   HG23  VAL 152          HG23      VAL 152   6.816   6.657   2.439
 1065    H    ILE 153           H        ILE 153   7.947   5.672  -1.544
 1066    HA   ILE 153           HA       ILE 153  10.166   4.413  -2.899
 1067    HB   ILE 153           HB       ILE 153   8.159   6.505  -3.707
 1068   HG12  ILE 153          HG12      ILE 153   8.798   3.782  -4.920
 1069   HG13  ILE 153          HG13      ILE 153   7.746   3.885  -3.518
 1070   HG21  ILE 153          HG21      ILE 153  10.523   5.486  -5.363
 1071   HG22  ILE 153          HG22      ILE 153   9.141   6.373  -6.030
 1072   HG23  ILE 153          HG23      ILE 153  10.203   7.170  -4.890
 1073   HD11  ILE 153          HD11      ILE 153   7.231   5.341  -6.157
 1074   HD12  ILE 153          HD12      ILE 153   6.513   3.810  -5.706
 1075   HD13  ILE 153          HD13      ILE 153   6.142   5.266  -4.755
 1076    H    LYS 154           H        LYS 154  12.182   4.806  -2.712
 1077    HA   LYS 154           HA       LYS 154  13.154   7.312  -1.573
 1078    HB2  LYS 154           HB2      LYS 154  14.394   4.763  -2.511
 1079    HB3  LYS 154           HB3      LYS 154  15.402   6.193  -2.685
 1080    HG2  LYS 154           HG2      LYS 154  15.844   5.169  -0.544
 1081    HG3  LYS 154           HG3      LYS 154  15.114   6.763  -0.321
 1082    HD2  LYS 154           HD2      LYS 154  12.886   5.574   0.036
 1083    HD3  LYS 154           HD3      LYS 154  13.770   4.049   0.063
 1084    HE2  LYS 154           HE2      LYS 154  14.172   6.444   1.930
 1085    HE3  LYS 154           HE3      LYS 154  13.231   5.002   2.320
 1086    HZ1  LYS 154           HZ1      LYS 154  16.157   5.084   1.842
 1087    HZ2  LYS 154           HZ2      LYS 154  15.412   4.872   3.285
 1088    HZ3  LYS 154           HZ3      LYS 154  15.318   3.711   2.133
  Start of MODEL   28
    1    H1   ALA   1           H1       ALA   1  12.832  -0.932 -14.737
    2    H2   ALA   1           H2       ALA   1  13.113  -0.166 -16.138
    3    H3   ALA   1           H3       ALA   1  11.809   0.233 -15.220
    4    HA   ALA   1           HA       ALA   1  14.650   0.652 -14.520
    5    HB1  ALA   1           HB1      ALA   1  12.441   2.727 -14.911
    6    HB2  ALA   1           HB2      ALA   1  14.127   3.046 -14.492
    7    HB3  ALA   1           HB3      ALA   1  13.720   2.361 -16.084
    8    H    SER   2           H        SER   2  15.133   0.876 -12.275
    9    HA   SER   2           HA       SER   2  12.843  -0.269 -10.774
   10    HB2  SER   2           HB2      SER   2  15.693  -1.012 -10.257
   11    HB3  SER   2           HB3      SER   2  14.228  -1.994 -10.141
   12    HG   SER   2           HG       SER   2  14.191  -1.979 -12.489
   13    H    GLU   3           H        GLU   3  12.684  -0.197  -8.539
   14    HA   GLU   3           HA       GLU   3  14.946   0.729  -7.075
   15    HB2  GLU   3           HB2      GLU   3  13.752   2.918  -7.500
   16    HB3  GLU   3           HB3      GLU   3  12.405   2.310  -6.509
   17    HG2  GLU   3           HG2      GLU   3  13.977   3.803  -5.272
   18    HG3  GLU   3           HG3      GLU   3  13.880   2.178  -4.556
   19    H    LYS   4           H        LYS   4  15.195  -0.295  -5.197
   20    HA   LYS   4           HA       LYS   4  13.316  -2.458  -4.758
   21    HB2  LYS   4           HB2      LYS   4  15.845  -2.576  -5.362
   22    HB3  LYS   4           HB3      LYS   4  16.178  -1.976  -3.735
   23    HG2  LYS   4           HG2      LYS   4  14.971  -3.938  -2.829
   24    HG3  LYS   4           HG3      LYS   4  14.673  -4.485  -4.481
   25    HD2  LYS   4           HD2      LYS   4  16.492  -5.800  -3.660
   26    HD3  LYS   4           HD3      LYS   4  17.194  -4.642  -4.799
   27    HE2  LYS   4           HE2      LYS   4  17.911  -3.213  -2.881
   28    HE3  LYS   4           HE3      LYS   4  17.150  -4.343  -1.759
   29    HZ1  LYS   4           HZ1      LYS   4  19.539  -4.885  -3.448
   30    HZ2  LYS   4           HZ2      LYS   4  19.455  -4.848  -1.816
   31    HZ3  LYS   4           HZ3      LYS   4  18.729  -6.064  -2.624
   32    H    VAL   5           H        VAL   5  11.633  -1.172  -3.581
   33    HA   VAL   5           HA       VAL   5  12.733   0.575  -1.559
   34    HB   VAL   5           HB       VAL   5   9.892   0.050  -2.435
   35   HG11  VAL   5          HG11      VAL   5  10.912   2.088  -0.396
   36   HG12  VAL   5          HG12      VAL   5   9.311   2.144  -1.167
   37   HG13  VAL   5          HG13      VAL   5   9.730   0.795  -0.101
   38   HG21  VAL   5          HG21      VAL   5  11.541   1.148  -3.993
   39   HG22  VAL   5          HG22      VAL   5  10.236   2.268  -3.496
   40   HG23  VAL   5          HG23      VAL   5  11.847   2.389  -2.765
   41    H    GLY   6           H        GLY   6  13.210   0.235   0.364
   42    HA2  GLY   6           HA2      GLY   6  12.818  -2.297   1.704
   43    HA3  GLY   6           HA3      GLY   6  13.721  -0.882   2.319
   44    H    MET   7           H        MET   7  10.769  -2.622   2.244
   45    HA   MET   7           HA       MET   7   9.179  -0.635   3.650
   46    HB2  MET   7           HB2      MET   7   8.715  -3.544   2.916
   47    HB3  MET   7           HB3      MET   7   7.548  -2.564   3.845
   48    HG2  MET   7           HG2      MET   7   7.501  -0.909   2.019
   49    HG3  MET   7           HG3      MET   7   8.533  -1.957   1.036
   50    HE1  MET   7           HE1      MET   7   6.192  -1.181  -0.478
   51    HE2  MET   7           HE2      MET   7   4.576  -1.799  -0.038
   52    HE3  MET   7           HE3      MET   7   5.407  -0.639   1.021
   53    H    ASN   8           H        ASN   8   8.810  -0.405   5.743
   54    HA   ASN   8           HA       ASN   8  10.069  -2.322   7.667
   55    HB2  ASN   8           HB2      ASN   8   9.360   0.598   7.957
   56    HB3  ASN   8           HB3      ASN   8   9.729  -0.461   9.330
   57   HD21  ASN   8          HD21      ASN   8  11.791   0.037  10.032
   58   HD22  ASN   8          HD22      ASN   8  13.174   0.062   8.929
   59    H    LEU   9           H        LEU   9   8.852  -3.039   9.421
   60    HA   LEU   9           HA       LEU   9   5.983  -3.446   9.064
   61    HB2  LEU   9           HB2      LEU   9   7.932  -3.863  11.376
   62    HB3  LEU   9           HB3      LEU   9   6.246  -4.363  11.431
   63    HG   LEU   9           HG       LEU   9   8.159  -5.381   9.280
   64   HD11  LEU   9          HD11      LEU   9   7.622  -6.558  12.029
   65   HD12  LEU   9          HD12      LEU   9   8.393  -7.429  10.689
   66   HD13  LEU   9          HD13      LEU   9   9.177  -5.987  11.364
   67   HD21  LEU   9          HD21      LEU   9   5.757  -5.680   8.794
   68   HD22  LEU   9          HD22      LEU   9   6.519  -7.237   9.139
   69   HD23  LEU   9          HD23      LEU   9   5.520  -6.451  10.378
   70    H    VAL  10           H        VAL  10   4.321  -2.305  10.128
   71    HA   VAL  10           HA       VAL  10   5.113   0.081  11.749
   72    HB   VAL  10           HB       VAL  10   3.768   1.645  10.594
   73   HG11  VAL  10          HG11      VAL  10   5.171   0.178   8.334
   74   HG12  VAL  10          HG12      VAL  10   4.802   1.910   8.464
   75   HG13  VAL  10          HG13      VAL  10   6.010   1.188   9.534
   76   HG21  VAL  10          HG21      VAL  10   1.824   0.408  10.062
   77   HG22  VAL  10          HG22      VAL  10   2.438   1.118   8.563
   78   HG23  VAL  10          HG23      VAL  10   2.702  -0.612   8.883
   79    H    THR  11           H        THR  11   3.526   1.074  12.910
   80    HA   THR  11           HA       THR  11   0.831   0.323  13.141
   81    HB   THR  11           HB       THR  11   1.628  -1.810  14.018
   82    HG1  THR  11           HG1      THR  11   0.244  -1.832  15.649
   83   HG21  THR  11          HG21      THR  11   2.841  -0.243  16.342
   84   HG22  THR  11          HG22      THR  11   2.689  -2.003  16.199
   85   HG23  THR  11          HG23      THR  11   3.753  -1.123  15.095
   86    H    ALA  12           H        ALA  12   0.850   0.886  15.994
   87    HA   ALA  12           HA       ALA  12   0.430   3.738  16.025
   88    HB1  ALA  12           HB1      ALA  12   0.784   1.770  18.325
   89    HB2  ALA  12           HB2      ALA  12   0.060   3.392  18.416
   90    HB3  ALA  12           HB3      ALA  12  -0.731   2.128  17.460
   91    H    GLN  13           H        GLN  13   3.471   2.210  16.104
   92    HA   GLN  13           HA       GLN  13   4.817   4.489  17.529
   93    HB2  GLN  13           HB2      GLN  13   5.854   1.939  16.299
   94    HB3  GLN  13           HB3      GLN  13   6.883   3.145  17.096
   95    HG2  GLN  13           HG2      GLN  13   4.971   1.095  18.259
   96    HG3  GLN  13           HG3      GLN  13   6.721   1.279  18.539
   97   HE21  GLN  13          HE21      GLN  13   3.540   2.651  19.107
   98   HE22  GLN  13          HE22      GLN  13   4.148   3.999  20.020
   99    H    GLY  14           H        GLY  14   3.770   3.546  14.387
  100    HA2  GLY  14           HA2      GLY  14   4.236   4.491  12.285
  101    HA3  GLY  14           HA3      GLY  14   5.587   5.413  13.019
  102    H    VAL  15           H        VAL  15   7.076   4.811  11.595
  103    HA   VAL  15           HA       VAL  15   7.700   2.266  10.555
  104    HB   VAL  15           HB       VAL  15   9.515   4.641  11.161
  105   HG11  VAL  15          HG11      VAL  15  10.065   2.098   9.594
  106   HG12  VAL  15          HG12      VAL  15  11.041   3.578   9.432
  107   HG13  VAL  15          HG13      VAL  15  10.986   2.731  10.974
  108   HG21  VAL  15          HG21      VAL  15   7.739   5.093   9.490
  109   HG22  VAL  15          HG22      VAL  15   9.333   5.068   8.743
  110   HG23  VAL  15          HG23      VAL  15   8.249   3.669   8.560
  111    H    GLY  16           H        GLY  16   8.199   0.438  11.526
  112    HA2  GLY  16           HA2      GLY  16   9.771   0.277  14.044
  113    HA3  GLY  16           HA3      GLY  16   8.953  -1.039  13.143
  114    H    GLN  17           H        GLN  17  10.466  -2.474  12.679
  115    HA   GLN  17           HA       GLN  17  12.873  -1.533  11.189
  116    HB2  GLN  17           HB2      GLN  17  14.188  -3.255  11.944
  117    HB3  GLN  17           HB3      GLN  17  13.398  -2.600  13.358
  118    HG2  GLN  17           HG2      GLN  17  13.427  -4.920  13.695
  119    HG3  GLN  17           HG3      GLN  17  11.747  -4.561  13.226
  120   HE21  GLN  17          HE21      GLN  17  14.946  -5.432  11.601
  121   HE22  GLN  17          HE22      GLN  17  14.086  -6.326  10.330
  122    H    SER  18           H        SER  18  13.617  -3.399   9.613
  123    HA   SER  18           HA       SER  18  11.256  -3.996   7.909
  124    HB2  SER  18           HB2      SER  18  12.597  -2.271   6.927
  125    HB3  SER  18           HB3      SER  18  14.086  -3.200   7.173
  126    HG   SER  18           HG       SER  18  11.914  -3.635   5.379
  127    H    ILE  19           H        ILE  19  10.925  -5.883   7.105
  128    HA   ILE  19           HA       ILE  19  12.779  -8.173   7.653
  129    HB   ILE  19           HB       ILE  19  10.681  -9.522   7.346
  130   HG12  ILE  19          HG12      ILE  19   9.092  -6.970   7.778
  131   HG13  ILE  19          HG13      ILE  19   9.510  -7.509   6.143
  132   HG21  ILE  19          HG21      ILE  19  10.567  -7.545   9.637
  133   HG22  ILE  19          HG22      ILE  19   9.834  -9.159   9.592
  134   HG23  ILE  19          HG23      ILE  19  11.594  -8.990   9.575
  135   HD11  ILE  19          HD11      ILE  19   7.893  -9.113   8.131
  136   HD12  ILE  19          HD12      ILE  19   7.295  -8.259   6.690
  137   HD13  ILE  19          HD13      ILE  19   8.392  -9.638   6.500
  138    H    GLY  20           H        GLY  20  12.263  -6.153   5.173
  139    HA2  GLY  20           HA2      GLY  20  12.965  -7.763   3.007
  140    HA3  GLY  20           HA3      GLY  20  11.220  -7.883   3.118
  141    H    THR  21           H        THR  21  12.811  -6.728   0.979
  142    HA   THR  21           HA       THR  21  11.623  -3.985   0.857
  143    HB   THR  21           HB       THR  21  12.838  -3.545  -1.052
  144    HG1  THR  21           HG1      THR  21  13.485  -6.309  -1.172
  145   HG21  THR  21          HG21      THR  21  14.841  -5.303   0.413
  146   HG22  THR  21          HG22      THR  21  15.137  -3.836  -0.537
  147   HG23  THR  21          HG23      THR  21  14.314  -3.719   1.016
  148    H    VAL  22           H        VAL  22  10.492  -3.619  -1.246
  149    HA   VAL  22           HA       VAL  22   9.604  -6.114  -2.565
  150    HB   VAL  22           HB       VAL  22   7.844  -3.616  -2.516
  151   HG11  VAL  22          HG11      VAL  22   7.569  -6.371  -3.792
  152   HG12  VAL  22          HG12      VAL  22   6.279  -5.223  -3.724
  153   HG13  VAL  22          HG13      VAL  22   7.733  -4.833  -4.661
  154   HG21  VAL  22          HG21      VAL  22   7.651  -4.842  -0.367
  155   HG22  VAL  22          HG22      VAL  22   6.183  -5.027  -1.334
  156   HG23  VAL  22          HG23      VAL  22   7.361  -6.355  -1.251
  157    H    VAL  23           H        VAL  23  10.353  -6.138  -4.625
  158    HA   VAL  23           HA       VAL  23  11.879  -3.747  -5.447
  159    HB   VAL  23           HB       VAL  23  12.925  -5.910  -5.616
  160   HG11  VAL  23          HG11      VAL  23  11.057  -6.632  -7.821
  161   HG12  VAL  23          HG12      VAL  23  12.640  -7.382  -7.531
  162   HG13  VAL  23          HG13      VAL  23  11.429  -7.482  -6.273
  163   HG21  VAL  23          HG21      VAL  23  13.659  -3.912  -6.930
  164   HG22  VAL  23          HG22      VAL  23  14.044  -5.431  -7.754
  165   HG23  VAL  23          HG23      VAL  23  12.654  -4.463  -8.288
  166    H    ILE  24           H        ILE  24  11.097  -2.198  -6.616
  167    HA   ILE  24           HA       ILE  24   8.608  -2.609  -8.230
  168    HB   ILE  24           HB       ILE  24   9.996  -0.070  -7.273
  169   HG12  ILE  24          HG12      ILE  24   7.255  -0.667  -6.292
  170   HG13  ILE  24          HG13      ILE  24   8.425  -1.691  -5.593
  171   HG21  ILE  24          HG21      ILE  24   7.386  -0.494  -8.801
  172   HG22  ILE  24          HG22      ILE  24   7.897   1.061  -8.093
  173   HG23  ILE  24          HG23      ILE  24   8.848   0.340  -9.381
  174   HD11  ILE  24          HD11      ILE  24   8.430   1.358  -5.612
  175   HD12  ILE  24          HD12      ILE  24   8.019   0.287  -4.252
  176   HD13  ILE  24          HD13      ILE  24   9.683   0.313  -4.887
  177    H    ASP  25           H        ASP  25   8.926  -2.833 -10.377
  178    HA   ASP  25           HA       ASP  25  11.139  -1.263 -11.589
  179    HB2  ASP  25           HB2      ASP  25  11.684  -3.677 -11.526
  180    HB3  ASP  25           HB3      ASP  25  10.285  -3.996 -12.593
  181    H    GLU  26           H        GLU  26  10.478   0.185 -12.832
  182    HA   GLU  26           HA       GLU  26   7.844   0.560 -13.932
  183    HB2  GLU  26           HB2      GLU  26   9.889   2.173 -13.334
  184    HB3  GLU  26           HB3      GLU  26  10.402   1.810 -14.993
  185    HG2  GLU  26           HG2      GLU  26   7.880   3.083 -13.986
  186    HG3  GLU  26           HG3      GLU  26   9.235   3.843 -14.851
  187    H    THR  27           H        THR  27   7.018  -0.330 -15.812
  188    HA   THR  27           HA       THR  27   8.921  -1.185 -17.867
  189    HB   THR  27           HB       THR  27   7.983  -3.404 -18.162
  190    HG1  THR  27           HG1      THR  27   6.238  -2.667 -16.058
  191   HG21  THR  27          HG21      THR  27   8.419  -3.161 -15.170
  192   HG22  THR  27          HG22      THR  27   8.533  -4.617 -16.166
  193   HG23  THR  27          HG23      THR  27   9.711  -3.306 -16.379
  194    H    GLU  28           H        GLU  28   7.629  -2.032 -19.881
  195    HA   GLU  28           HA       GLU  28   5.854   0.041 -20.737
  196    HB2  GLU  28           HB2      GLU  28   7.266  -1.311 -22.174
  197    HB3  GLU  28           HB3      GLU  28   6.306  -2.767 -21.818
  198    HG2  GLU  28           HG2      GLU  28   4.421  -1.920 -23.019
  199    HG3  GLU  28           HG3      GLU  28   5.038  -0.261 -22.980
  200    H    GLY  29           H        GLY  29   5.248  -2.839 -18.854
  201    HA2  GLY  29           HA2      GLY  29   2.303  -2.488 -19.066
  202    HA3  GLY  29           HA3      GLY  29   3.129  -3.897 -18.325
  203    H    GLY  30           H        GLY  30   4.417  -0.862 -17.586
  204    HA2  GLY  30           HA2      GLY  30   4.168   0.684 -15.846
  205    HA3  GLY  30           HA3      GLY  30   2.757  -0.207 -15.255
  206    H    LEU  31           H        LEU  31   3.496   0.096 -13.128
  207    HA   LEU  31           HA       LEU  31   6.188  -0.657 -12.305
  208    HB2  LEU  31           HB2      LEU  31   3.725   0.007 -10.640
  209    HB3  LEU  31           HB3      LEU  31   5.362  -0.202 -10.010
  210    HG   LEU  31           HG       LEU  31   4.450   2.026 -11.880
  211   HD11  LEU  31          HD11      LEU  31   5.197   1.970  -8.912
  212   HD12  LEU  31          HD12      LEU  31   4.891   3.434  -9.856
  213   HD13  LEU  31          HD13      LEU  31   3.580   2.270  -9.584
  214   HD21  LEU  31          HD21      LEU  31   6.825   1.469 -12.257
  215   HD22  LEU  31          HD22      LEU  31   6.680   3.002 -11.393
  216   HD23  LEU  31          HD23      LEU  31   7.107   1.521 -10.500
  217    H    LYS  32           H        LYS  32   6.640  -2.804 -12.653
  218    HA   LYS  32           HA       LYS  32   5.047  -5.002 -11.718
  219    HB2  LYS  32           HB2      LYS  32   6.659  -4.866 -13.698
  220    HB3  LYS  32           HB3      LYS  32   7.973  -4.703 -12.529
  221    HG2  LYS  32           HG2      LYS  32   6.908  -6.909 -11.507
  222    HG3  LYS  32           HG3      LYS  32   6.186  -7.059 -13.121
  223    HD2  LYS  32           HD2      LYS  32   8.467  -7.005 -14.141
  224    HD3  LYS  32           HD3      LYS  32   9.168  -6.728 -12.526
  225    HE2  LYS  32           HE2      LYS  32   9.315  -9.013 -12.472
  226    HE3  LYS  32           HE3      LYS  32   7.645  -8.758 -11.876
  227    HZ1  LYS  32           HZ1      LYS  32   8.476  -9.410 -14.679
  228    HZ2  LYS  32           HZ2      LYS  32   7.767 -10.477 -13.686
  229    HZ3  LYS  32           HZ3      LYS  32   6.919  -9.179 -14.234
  230    H    PHE  33           H        PHE  33   4.841  -5.420  -9.599
  231    HA   PHE  33           HA       PHE  33   6.844  -4.597  -7.604
  232    HB2  PHE  33           HB2      PHE  33   4.308  -3.867  -7.866
  233    HB3  PHE  33           HB3      PHE  33   3.946  -5.475  -7.230
  234    HD1  PHE  33           HD1      PHE  33   6.299  -2.692  -6.493
  235    HD2  PHE  33           HD2      PHE  33   3.261  -5.313  -4.991
  236    HE1  PHE  33           HE1      PHE  33   6.466  -1.589  -4.224
  237    HE2  PHE  33           HE2      PHE  33   3.383  -4.185  -2.765
  238    HZ   PHE  33           HZ       PHE  33   5.015  -2.366  -2.379
  239    H    THR  34           H        THR  34   8.248  -6.279  -6.986
  240    HA   THR  34           HA       THR  34   7.069  -9.042  -6.827
  241    HB   THR  34           HB       THR  34   9.961  -8.445  -7.403
  242    HG1  THR  34           HG1      THR  34   8.772  -7.755  -9.111
  243   HG21  THR  34          HG21      THR  34   8.261 -10.966  -7.575
  244   HG22  THR  34          HG22      THR  34   9.940 -10.811  -8.135
  245   HG23  THR  34          HG23      THR  34   9.562 -10.645  -6.412
  246    HA   PRO  35           HA       PRO  35   8.312  -8.066  -2.591
  247    HB2  PRO  35           HB2      PRO  35   6.764  -9.839  -1.269
  248    HB3  PRO  35           HB3      PRO  35   6.050  -8.414  -2.099
  249    HG2  PRO  35           HG2      PRO  35   6.285 -11.259  -3.101
  250    HG3  PRO  35           HG3      PRO  35   4.828 -10.214  -3.111
  251    HD2  PRO  35           HD2      PRO  35   6.457 -10.550  -5.280
  252    HD3  PRO  35           HD3      PRO  35   5.655  -8.983  -4.933
  253    H    HIS  36           H        HIS  36   9.523  -8.997  -0.857
  254    HA   HIS  36           HA       HIS  36  10.104 -11.882  -0.968
  255    HB2  HIS  36           HB2      HIS  36  12.403 -11.759  -1.325
  256    HB3  HIS  36           HB3      HIS  36  11.751 -10.597  -2.476
  257    HD1  HIS  36           HD1      HIS  36  14.302 -10.847   0.179
  258    HD2  HIS  36           HD2      HIS  36  11.921  -7.896  -1.600
  259    HE1  HIS  36           HE1      HIS  36  15.433  -8.620   0.761
  260    H    LEU  37           H        LEU  37   8.657 -10.171   0.923
  261    HA   LEU  37           HA       LEU  37  10.344  -9.878   3.327
  262    HB2  LEU  37           HB2      LEU  37   7.333  -9.584   3.083
  263    HB3  LEU  37           HB3      LEU  37   8.400  -8.983   4.356
  264    HG   LEU  37           HG       LEU  37   9.353  -7.706   2.030
  265   HD11  LEU  37          HD11      LEU  37   6.301  -7.771   2.037
  266   HD12  LEU  37          HD12      LEU  37   7.306  -6.648   1.110
  267   HD13  LEU  37          HD13      LEU  37   7.378  -8.380   0.754
  268   HD21  LEU  37          HD21      LEU  37   9.256  -6.648   4.176
  269   HD22  LEU  37          HD22      LEU  37   8.234  -5.704   3.089
  270   HD23  LEU  37          HD23      LEU  37   7.485  -6.809   4.269
  271    H    LYS  38           H        LYS  38  10.224 -11.050   5.244
  272    HA   LYS  38           HA       LYS  38   8.393 -13.410   5.309
  273    HB2  LYS  38           HB2      LYS  38  10.068 -14.753   6.411
  274    HB3  LYS  38           HB3      LYS  38  10.548 -14.360   4.784
  275    HG2  LYS  38           HG2      LYS  38  11.704 -12.570   6.892
  276    HG3  LYS  38           HG3      LYS  38  12.136 -14.281   7.022
  277    HD2  LYS  38           HD2      LYS  38  13.803 -12.978   5.772
  278    HD3  LYS  38           HD3      LYS  38  13.095 -14.269   4.775
  279    HE2  LYS  38           HE2      LYS  38  11.629 -12.724   3.656
  280    HE3  LYS  38           HE3      LYS  38  11.985 -11.452   4.827
  281    HZ1  LYS  38           HZ1      LYS  38  13.999 -12.472   2.892
  282    HZ2  LYS  38           HZ2      LYS  38  13.052 -11.196   2.651
  283    HZ3  LYS  38           HZ3      LYS  38  14.138 -11.166   3.894
  284    H    ALA  39           H        ALA  39   7.179 -13.512   7.002
  285    HA   ALA  39           HA       ALA  39   7.047 -13.745   9.387
  286    HB1  ALA  39           HB1      ALA  39   8.053 -10.879   9.558
  287    HB2  ALA  39           HB2      ALA  39   7.565 -11.879  10.936
  288    HB3  ALA  39           HB3      ALA  39   8.982 -12.334   9.992
  289    H    LEU  40           H        LEU  40   5.295 -12.731   7.129
  290    HA   LEU  40           HA       LEU  40   3.430 -10.970   8.647
  291    HB2  LEU  40           HB2      LEU  40   2.811 -11.461   5.761
  292    HB3  LEU  40           HB3      LEU  40   2.633 -10.063   6.766
  293    HG   LEU  40           HG       LEU  40   5.322  -9.976   6.569
  294   HD11  LEU  40          HD11      LEU  40   4.531 -11.551   4.070
  295   HD12  LEU  40          HD12      LEU  40   6.124 -10.854   4.419
  296   HD13  LEU  40          HD13      LEU  40   5.516 -12.184   5.391
  297   HD21  LEU  40          HD21      LEU  40   3.796  -8.251   5.684
  298   HD22  LEU  40          HD22      LEU  40   5.100  -8.592   4.536
  299   HD23  LEU  40          HD23      LEU  40   3.473  -9.252   4.251
  300    HA   PRO  41           HA       PRO  41   0.318 -14.064   8.928
  301    HB2  PRO  41           HB2      PRO  41  -2.038 -12.702   8.201
  302    HB3  PRO  41           HB3      PRO  41  -1.270 -12.657   9.807
  303    HG2  PRO  41           HG2      PRO  41  -0.932 -10.746   7.526
  304    HG3  PRO  41           HG3      PRO  41  -1.260 -10.360   9.250
  305    HD2  PRO  41           HD2      PRO  41   1.255 -10.214   8.395
  306    HD3  PRO  41           HD3      PRO  41   0.869 -11.115   9.901
  307    HA   PRO  42           HA       PRO  42   0.925 -15.391   5.013
  308    HB2  PRO  42           HB2      PRO  42   0.587 -17.982   5.183
  309    HB3  PRO  42           HB3      PRO  42   1.442 -17.091   6.477
  310    HG2  PRO  42           HG2      PRO  42  -1.489 -17.788   6.406
  311    HG3  PRO  42           HG3      PRO  42  -0.321 -18.312   7.639
  312    HD2  PRO  42           HD2      PRO  42  -1.720 -15.992   8.028
  313    HD3  PRO  42           HD3      PRO  42   0.009 -16.121   8.488
  314    H    GLY  43           H        GLY  43  -1.494 -14.043   4.770
  315    HA2  GLY  43           HA2      GLY  43  -3.142 -15.709   2.920
  316    HA3  GLY  43           HA3      GLY  43  -3.815 -14.468   3.995
  317    H    GLU  44           H        GLU  44  -4.853 -13.800   2.105
  318    HA   GLU  44           HA       GLU  44  -3.545 -12.178   0.085
  319    HB2  GLU  44           HB2      GLU  44  -6.490 -12.196   0.878
  320    HB3  GLU  44           HB3      GLU  44  -5.775 -11.572  -0.601
  321    HG2  GLU  44           HG2      GLU  44  -6.510 -13.527  -1.442
  322    HG3  GLU  44           HG3      GLU  44  -4.940 -14.121  -0.858
  323    H    HIS  45           H        HIS  45  -3.480  -9.928  -0.097
  324    HA   HIS  45           HA       HIS  45  -4.342  -8.140   2.121
  325    HB2  HIS  45           HB2      HIS  45  -1.498  -8.557   1.098
  326    HB3  HIS  45           HB3      HIS  45  -1.924  -7.264   2.189
  327    HD1  HIS  45           HD1      HIS  45  -3.483  -8.915   4.444
  328    HD2  HIS  45           HD2      HIS  45  -0.419 -10.507   2.113
  329    HE1  HIS  45           HE1      HIS  45  -2.570 -10.918   5.745
  330    HE2  HIS  45           HE2      HIS  45  -0.615 -11.872   4.338
  331    H    GLY  46           H        GLY  46  -4.988  -6.090   1.159
  332    HA2  GLY  46           HA2      GLY  46  -4.519  -5.590  -1.541
  333    HA3  GLY  46           HA3      GLY  46  -5.135  -4.421  -0.344
  334    H    PHE  47           H        PHE  47  -3.487  -3.556  -2.401
  335    HA   PHE  47           HA       PHE  47  -1.038  -2.623  -0.932
  336    HB2  PHE  47           HB2      PHE  47  -0.409  -4.313  -2.528
  337    HB3  PHE  47           HB3      PHE  47  -1.510  -3.657  -3.744
  338    HD1  PHE  47           HD1      PHE  47   1.124  -1.633  -1.919
  339    HD2  PHE  47           HD2      PHE  47   0.020  -3.772  -5.479
  340    HE1  PHE  47           HE1      PHE  47   2.985  -0.526  -3.198
  341    HE2  PHE  47           HE2      PHE  47   1.887  -2.678  -6.723
  342    HZ   PHE  47           HZ       PHE  47   3.283  -0.979  -5.636
  343    H    HIS  48           H        HIS  48  -1.198  -0.376  -0.641
  344    HA   HIS  48           HA       HIS  48  -2.685   1.155  -2.770
  345    HB2  HIS  48           HB2      HIS  48  -2.550   2.170   0.046
  346    HB3  HIS  48           HB3      HIS  48  -3.459   2.814  -1.288
  347    HD2  HIS  48           HD2      HIS  48  -4.715  -0.425  -1.717
  348    HE1  HIS  48           HE1      HIS  48  -6.628   0.504   1.948
  349    HE2  HIS  48           HE2      HIS  48  -6.510  -1.098  -0.076
  350    H    ILE  49           H        ILE  49  -1.982   3.213  -3.248
  351    HA   ILE  49           HA       ILE  49   0.550   4.253  -2.016
  352    HB   ILE  49           HB       ILE  49  -0.533   4.749  -4.809
  353   HG12  ILE  49          HG12      ILE  49   2.151   3.602  -3.885
  354   HG13  ILE  49          HG13      ILE  49   0.782   2.605  -4.413
  355   HG21  ILE  49          HG21      ILE  49   1.851   6.045  -3.396
  356   HG22  ILE  49          HG22      ILE  49   1.405   6.291  -5.094
  357   HG23  ILE  49          HG23      ILE  49   0.337   6.867  -3.827
  358   HD11  ILE  49          HD11      ILE  49   2.359   4.541  -6.127
  359   HD12  ILE  49          HD12      ILE  49   2.280   2.779  -6.255
  360   HD13  ILE  49          HD13      ILE  49   0.848   3.750  -6.645
  361    H    HIS  50           H        HIS  50   0.514   6.247  -1.231
  362    HA   HIS  50           HA       HIS  50  -2.140   7.635  -0.913
  363    HB2  HIS  50           HB2      HIS  50  -0.064   6.899   1.184
  364    HB3  HIS  50           HB3      HIS  50  -1.155   8.258   1.385
  365    HD1  HIS  50           HD1      HIS  50  -2.943   7.721   2.957
  366    HD2  HIS  50           HD2      HIS  50  -1.963   4.505   0.468
  367    HE1  HIS  50           HE1      HIS  50  -4.465   5.790   3.698
  368    H    ALA  51           H        ALA  51  -1.427   9.969   0.200
  369    HA   ALA  51           HA       ALA  51  -0.348  11.204  -2.158
  370    HB1  ALA  51           HB1      ALA  51  -1.245  12.633   0.362
  371    HB2  ALA  51           HB2      ALA  51  -1.201  13.256  -1.284
  372    HB3  ALA  51           HB3      ALA  51  -2.374  11.996  -0.859
  373    H    ASN  52           H        ASN  52   1.151  10.813   1.011
  374    HA   ASN  52           HA       ASN  52   3.613  12.131  -0.114
  375    HB2  ASN  52           HB2      ASN  52   2.488  12.385   2.703
  376    HB3  ASN  52           HB3      ASN  52   4.063  12.991   2.190
  377   HD21  ASN  52          HD21      ASN  52   0.946  14.012   2.748
  378   HD22  ASN  52          HD22      ASN  52   0.904  15.348   1.625
  379    H    GLY  53           H        GLY  53   5.642  11.508   0.785
  380    HA2  GLY  53           HA2      GLY  53   5.933   8.642   1.305
  381    HA3  GLY  53           HA3      GLY  53   7.213   9.854   1.064
  382    H    SER  54           H        SER  54   4.672   9.022   3.455
  383    HA   SER  54           HA       SER  54   6.631   9.447   5.680
  384    HB2  SER  54           HB2      SER  54   3.993  10.892   5.333
  385    HB3  SER  54           HB3      SER  54   4.991  10.938   6.796
  386    HG   SER  54           HG       SER  54   5.413  12.735   5.452
  387    H    CYS  55           H        CYS  55   6.316   7.008   5.681
  388    HA   CYS  55           HA       CYS  55   4.104   5.598   6.415
  389    HB2  CYS  55           HB2      CYS  55   7.065   5.217   6.975
  390    HB3  CYS  55           HB3      CYS  55   5.868   3.951   7.168
  391    H    GLN  56           H        GLN  56   3.803   7.741   8.227
  392    HA   GLN  56           HA       GLN  56   4.480   6.635  10.934
  393    HB2  GLN  56           HB2      GLN  56   4.401   9.502   9.899
  394    HB3  GLN  56           HB3      GLN  56   4.697   9.082  11.573
  395    HG2  GLN  56           HG2      GLN  56   6.501   8.248   9.247
  396    HG3  GLN  56           HG3      GLN  56   6.744   9.647  10.276
  397   HE21  GLN  56          HE21      GLN  56   8.287   9.287  11.892
  398   HE22  GLN  56          HE22      GLN  56   8.487   7.723  12.674
  399    HA   PRO  57           HA       PRO  57   0.215   7.544  12.032
  400    HB2  PRO  57           HB2      PRO  57   0.301   8.119  14.689
  401    HB3  PRO  57           HB3      PRO  57   0.616   6.467  14.080
  402    HG2  PRO  57           HG2      PRO  57   2.646   8.590  14.834
  403    HG3  PRO  57           HG3      PRO  57   2.630   6.848  15.280
  404    HD2  PRO  57           HD2      PRO  57   4.123   7.771  13.200
  405    HD3  PRO  57           HD3      PRO  57   3.291   6.190  13.162
  406    H    ALA  58           H        ALA  58  -1.167   9.227  12.141
  407    HA   ALA  58           HA       ALA  58  -0.109  11.958  12.745
  408    HB1  ALA  58           HB1      ALA  58  -2.720  11.092  11.413
  409    HB2  ALA  58           HB2      ALA  58  -2.222  12.763  11.738
  410    HB3  ALA  58           HB3      ALA  58  -1.306  11.779  10.578
  411    H    ILE  59           H        ILE  59  -1.286  13.160  14.361
  412    HA   ILE  59           HA       ILE  59  -2.897  11.557  16.307
  413    HB   ILE  59           HB       ILE  59  -2.034  14.470  16.439
  414   HG12  ILE  59          HG12      ILE  59  -0.045  13.130  16.702
  415   HG13  ILE  59          HG13      ILE  59  -0.513  13.790  18.257
  416   HG21  ILE  59          HG21      ILE  59  -3.463  12.690  18.463
  417   HG22  ILE  59          HG22      ILE  59  -2.801  14.300  18.814
  418   HG23  ILE  59          HG23      ILE  59  -4.111  14.124  17.647
  419   HD11  ILE  59          HD11      ILE  59  -0.920  10.910  17.335
  420   HD12  ILE  59          HD12      ILE  59   0.255  11.498  18.519
  421   HD13  ILE  59          HD13      ILE  59  -1.473  11.560  18.900
  422    H    LYS  60           H        LYS  60  -4.973  11.333  15.800
  423    HA   LYS  60           HA       LYS  60  -6.263  13.097  13.818
  424    HB2  LYS  60           HB2      LYS  60  -6.518  10.538  14.105
  425    HB3  LYS  60           HB3      LYS  60  -7.486  10.882  15.529
  426    HG2  LYS  60           HG2      LYS  60  -9.041  10.512  13.838
  427    HG3  LYS  60           HG3      LYS  60  -9.010  12.276  13.951
  428    HD2  LYS  60           HD2      LYS  60  -7.628  12.423  11.929
  429    HD3  LYS  60           HD3      LYS  60  -7.353  10.669  11.950
  430    HE2  LYS  60           HE2      LYS  60  -9.845  10.341  11.706
  431    HE3  LYS  60           HE3      LYS  60 -10.004  12.084  11.421
  432    HZ1  LYS  60           HZ1      LYS  60  -8.298  10.248   9.814
  433    HZ2  LYS  60           HZ2      LYS  60  -9.802  10.715   9.365
  434    HZ3  LYS  60           HZ3      LYS  60  -8.573  11.813   9.468
  435    H    ASP  61           H        ASP  61  -6.694  12.279  17.191
  436    HA   ASP  61           HA       ASP  61  -6.928  14.876  18.239
  437    HB2  ASP  61           HB2      ASP  61  -9.296  14.622  17.170
  438    HB3  ASP  61           HB3      ASP  61  -9.590  13.394  18.391
  439    H    GLY  62           H        GLY  62  -5.939  14.476  20.206
  440    HA2  GLY  62           HA2      GLY  62  -5.289  13.477  22.164
  441    HA3  GLY  62           HA3      GLY  62  -6.863  12.671  22.127
  442    H    GLN  63           H        GLN  63  -5.414  11.419  19.454
  443    HA   GLN  63           HA       GLN  63  -3.767   9.350  20.703
  444    HB2  GLN  63           HB2      GLN  63  -5.285   7.515  20.283
  445    HB3  GLN  63           HB3      GLN  63  -6.046   8.683  21.341
  446    HG2  GLN  63           HG2      GLN  63  -6.914   9.482  18.776
  447    HG3  GLN  63           HG3      GLN  63  -6.869   7.728  18.668
  448   HE21  GLN  63          HE21      GLN  63  -8.417  10.507  20.238
  449   HE22  GLN  63          HE22      GLN  63  -9.549   9.586  21.198
  450    H    ALA  64           H        ALA  64  -2.962   7.712  19.118
  451    HA   ALA  64           HA       ALA  64  -2.262   9.124  16.661
  452    HB1  ALA  64           HB1      ALA  64  -1.199   6.627  18.063
  453    HB2  ALA  64           HB2      ALA  64  -0.474   7.370  16.633
  454    HB3  ALA  64           HB3      ALA  64  -0.517   8.267  18.161
  455    H    VAL  65           H        VAL  65  -2.890   8.584  14.688
  456    HA   VAL  65           HA       VAL  65  -4.114   5.891  14.161
  457    HB   VAL  65           HB       VAL  65  -4.636   8.504  12.679
  458   HG11  VAL  65          HG11      VAL  65  -5.602   5.636  12.264
  459   HG12  VAL  65          HG12      VAL  65  -6.352   7.040  11.485
  460   HG13  VAL  65          HG13      VAL  65  -4.677   6.616  11.110
  461   HG21  VAL  65          HG21      VAL  65  -5.813   8.406  14.853
  462   HG22  VAL  65          HG22      VAL  65  -6.966   8.166  13.531
  463   HG23  VAL  65          HG23      VAL  65  -6.395   6.774  14.479
  464    H    ALA  66           H        ALA  66  -2.534   4.689  13.515
  465    HA   ALA  66           HA       ALA  66  -0.144   5.520  12.164
  466    HB1  ALA  66           HB1      ALA  66  -1.371   2.793  12.647
  467    HB2  ALA  66           HB2      ALA  66   0.287   3.098  12.085
  468    HB3  ALA  66           HB3      ALA  66  -0.228   3.653  13.694
  469    H    ALA  67           H        ALA  67  -0.095   6.265  10.226
  470    HA   ALA  67           HA       ALA  67   0.392   5.690   8.023
  471    HB1  ALA  67           HB1      ALA  67  -2.389   4.478   7.794
  472    HB2  ALA  67           HB2      ALA  67  -1.207   4.644   6.497
  473    HB3  ALA  67           HB3      ALA  67  -0.829   3.598   7.872
  474    H    GLU  68           H        GLU  68  -2.394   7.429   9.326
  475    HA   GLU  68           HA       GLU  68  -2.967   8.836   6.895
  476    HB2  GLU  68           HB2      GLU  68  -3.639   9.489   9.783
  477    HB3  GLU  68           HB3      GLU  68  -4.109  10.515   8.422
  478    HG2  GLU  68           HG2      GLU  68  -5.147   8.395   7.371
  479    HG3  GLU  68           HG3      GLU  68  -4.994   7.669   8.972
  480    H    ALA  69           H        ALA  69  -0.166   9.241   8.845
  481    HA   ALA  69           HA       ALA  69   0.363  12.009   8.101
  482    HB1  ALA  69           HB1      ALA  69   2.290   9.772   8.833
  483    HB2  ALA  69           HB2      ALA  69   2.624  11.510   8.850
  484    HB3  ALA  69           HB3      ALA  69   1.475  10.829  10.017
  485    H    ALA  70           H        ALA  70   0.504   8.946   6.380
  486    HA   ALA  70           HA       ALA  70   2.245   9.928   4.246
  487    HB1  ALA  70           HB1      ALA  70   0.433   7.481   4.353
  488    HB2  ALA  70           HB2      ALA  70   1.751   7.785   3.213
  489    HB3  ALA  70           HB3      ALA  70   2.120   7.520   4.925
  490    H    GLY  71           H        GLY  71  -0.812  10.924   5.040
  491    HA2  GLY  71           HA2      GLY  71  -2.046  12.423   3.643
  492    HA3  GLY  71           HA3      GLY  71  -1.388  11.650   2.220
  493    H    GLY  72           H        GLY  72  -3.936  12.137   2.060
  494    HA2  GLY  72           HA2      GLY  72  -5.668   9.927   2.760
  495    HA3  GLY  72           HA3      GLY  72  -5.957  11.178   1.535
  496    H    HIS  73           H        HIS  73  -6.922   9.409   0.397
  497    HA   HIS  73           HA       HIS  73  -5.314   7.241  -0.788
  498    HB2  HIS  73           HB2      HIS  73  -8.187   8.108  -0.743
  499    HB3  HIS  73           HB3      HIS  73  -7.690   7.131  -2.089
  500    HD2  HIS  73           HD2      HIS  73  -6.847   6.651   1.682
  501    HE1  HIS  73           HE1      HIS  73  -8.592   3.027   0.310
  502    HE2  HIS  73           HE2      HIS  73  -7.526   4.230   2.299
  503    H    LEU  74           H        LEU  74  -4.000   9.489  -1.362
  504    HA   LEU  74           HA       LEU  74  -3.331  11.032  -2.947
  505    HB2  LEU  74           HB2      LEU  74  -2.079   9.077  -3.368
  506    HB3  LEU  74           HB3      LEU  74  -3.329   8.313  -4.307
  507    HG   LEU  74           HG       LEU  74  -2.947   9.849  -6.177
  508   HD11  LEU  74          HD11      LEU  74  -0.988  11.266  -4.321
  509   HD12  LEU  74          HD12      LEU  74  -1.093  11.540  -6.076
  510   HD13  LEU  74          HD13      LEU  74  -2.458  11.954  -5.036
  511   HD21  LEU  74          HD21      LEU  74  -1.487   7.868  -5.940
  512   HD22  LEU  74          HD22      LEU  74  -0.663   9.211  -6.751
  513   HD23  LEU  74          HD23      LEU  74  -0.305   8.853  -5.048
  514    H    ASP  75           H        ASP  75  -5.510  11.908  -2.577
  515    HA   ASP  75           HA       ASP  75  -7.436  11.586  -4.765
  516    HB2  ASP  75           HB2      ASP  75  -9.018  12.013  -2.745
  517    HB3  ASP  75           HB3      ASP  75  -8.297  10.461  -3.040
  518    HA   PRO  76           HA       PRO  76  -7.027  16.169  -4.843
  519    HB2  PRO  76           HB2      PRO  76  -7.080  16.512  -7.556
  520    HB3  PRO  76           HB3      PRO  76  -5.599  16.140  -6.627
  521    HG2  PRO  76           HG2      PRO  76  -7.345  14.219  -8.185
  522    HG3  PRO  76           HG3      PRO  76  -5.560  14.334  -8.156
  523    HD2  PRO  76           HD2      PRO  76  -6.950  12.516  -6.652
  524    HD3  PRO  76           HD3      PRO  76  -5.424  13.250  -6.088
  525    H    GLN  77           H        GLN  77  -9.023  14.538  -7.372
  526    HA   GLN  77           HA       GLN  77 -11.522  15.393  -6.067
  527    HB2  GLN  77           HB2      GLN  77 -10.807  15.939  -8.990
  528    HB3  GLN  77           HB3      GLN  77 -12.421  16.101  -8.313
  529    HG2  GLN  77           HG2      GLN  77 -10.045  17.793  -7.395
  530    HG3  GLN  77           HG3      GLN  77 -11.126  18.228  -8.700
  531   HE21  GLN  77          HE21      GLN  77 -12.063  20.079  -7.781
  532   HE22  GLN  77          HE22      GLN  77 -13.051  20.002  -6.344
  533    H    ASN  78           H        ASN  78 -12.880  13.648  -6.142
  534    HA   ASN  78           HA       ASN  78 -13.450  11.913  -8.138
  535    HB2  ASN  78           HB2      ASN  78 -12.300   9.736  -7.495
  536    HB3  ASN  78           HB3      ASN  78 -11.420  10.881  -8.457
  537   HD21  ASN  78          HD21      ASN  78  -9.466  11.697  -7.670
  538   HD22  ASN  78          HD22      ASN  78  -8.760  11.121  -6.147
  539    H    THR  79           H        THR  79 -12.654  10.348  -5.097
  540    HA   THR  79           HA       THR  79 -15.053  10.456  -3.633
  541    HB   THR  79           HB       THR  79 -16.298   9.703  -5.512
  542    HG1  THR  79           HG1      THR  79 -17.119   7.854  -4.682
  543   HG21  THR  79          HG21      THR  79 -14.437   7.309  -5.753
  544   HG22  THR  79          HG22      THR  79 -15.902   7.627  -6.706
  545   HG23  THR  79          HG23      THR  79 -14.500   8.662  -6.895
  546    H    GLY  80           H        GLY  80 -12.685   8.100  -4.943
  547    HA2  GLY  80           HA2      GLY  80 -10.662   7.716  -4.070
  548    HA3  GLY  80           HA3      GLY  80 -11.123   8.576  -2.590
  549    H    LYS  81           H        LYS  81 -13.272   6.876  -1.871
  550    HA   LYS  81           HA       LYS  81 -12.055   5.354   0.035
  551    HB2  LYS  81           HB2      LYS  81 -14.251   4.003   0.130
  552    HB3  LYS  81           HB3      LYS  81 -14.273   5.734   0.442
  553    HG2  LYS  81           HG2      LYS  81 -15.224   6.228  -1.707
  554    HG3  LYS  81           HG3      LYS  81 -15.017   4.556  -2.258
  555    HD2  LYS  81           HD2      LYS  81 -16.731   3.736  -0.887
  556    HD3  LYS  81           HD3      LYS  81 -16.719   5.148   0.186
  557    HE2  LYS  81           HE2      LYS  81 -17.897   6.500  -1.289
  558    HE3  LYS  81           HE3      LYS  81 -17.350   5.614  -2.707
  559    HZ1  LYS  81           HZ1      LYS  81 -19.694   5.239  -2.218
  560    HZ2  LYS  81           HZ2      LYS  81 -18.826   3.830  -2.197
  561    HZ3  LYS  81           HZ3      LYS  81 -19.339   4.535  -0.788
  562    H    HIS  82           H        HIS  82 -13.158   3.904  -3.016
  563    HA   HIS  82           HA       HIS  82 -11.042   2.655  -3.865
  564    HB2  HIS  82           HB2      HIS  82 -11.922   0.991  -1.581
  565    HB3  HIS  82           HB3      HIS  82 -11.720   0.122  -3.073
  566    HD2  HIS  82           HD2      HIS  82  -9.673  -1.185  -2.416
  567    HE1  HIS  82           HE1      HIS  82  -6.805   1.912  -2.203
  568    HE2  HIS  82           HE2      HIS  82  -7.185  -0.597  -2.334
  569    H    GLU  83           H        GLU  83 -11.330   1.281  -5.666
  570    HA   GLU  83           HA       GLU  83 -14.101   1.164  -6.671
  571    HB2  GLU  83           HB2      GLU  83 -13.128   0.460  -8.795
  572    HB3  GLU  83           HB3      GLU  83 -12.536   2.005  -8.217
  573    HG2  GLU  83           HG2      GLU  83 -10.431   0.833  -7.416
  574    HG3  GLU  83           HG3      GLU  83 -11.034  -0.641  -8.192
  575    H    GLY  84           H        GLY  84 -14.712  -0.879  -7.898
  576    HA2  GLY  84           HA2      GLY  84 -14.527  -3.431  -7.542
  577    HA3  GLY  84           HA3      GLY  84 -14.678  -3.040  -5.835
  578    HA   PRO  85           HA       PRO  85 -18.959  -3.775  -6.748
  579    HB2  PRO  85           HB2      PRO  85 -20.219  -2.805  -4.502
  580    HB3  PRO  85           HB3      PRO  85 -19.234  -4.299  -4.531
  581    HG2  PRO  85           HG2      PRO  85 -18.370  -1.511  -3.691
  582    HG3  PRO  85           HG3      PRO  85 -18.126  -3.057  -2.814
  583    HD2  PRO  85           HD2      PRO  85 -16.158  -2.020  -4.366
  584    HD3  PRO  85           HD3      PRO  85 -16.485  -3.779  -4.365
  585    H    GLU  86           H        GLU  86 -18.137  -0.356  -5.928
  586    HA   GLU  86           HA       GLU  86 -20.259   0.524  -7.812
  587    HB2  GLU  86           HB2      GLU  86 -20.367   2.546  -6.060
  588    HB3  GLU  86           HB3      GLU  86 -21.369   1.120  -5.974
  589    HG2  GLU  86           HG2      GLU  86 -20.617   1.704  -3.784
  590    HG3  GLU  86           HG3      GLU  86 -19.981   0.137  -4.238
  591    H    GLY  87           H        GLY  87 -17.145   0.224  -7.719
  592    HA2  GLY  87           HA2      GLY  87 -15.479   1.173  -9.017
  593    HA3  GLY  87           HA3      GLY  87 -16.735   2.233  -9.688
  594    H    GLN  88           H        GLN  88 -16.317   2.561  -6.253
  595    HA   GLN  88           HA       GLN  88 -15.704   5.347  -6.773
  596    HB2  GLN  88           HB2      GLN  88 -16.270   3.827  -4.202
  597    HB3  GLN  88           HB3      GLN  88 -16.184   5.583  -4.351
  598    HG2  GLN  88           HG2      GLN  88 -18.211   3.787  -5.745
  599    HG3  GLN  88           HG3      GLN  88 -18.530   4.794  -4.355
  600   HE21  GLN  88          HE21      GLN  88 -18.705   4.701  -7.736
  601   HE22  GLN  88          HE22      GLN  88 -18.874   6.448  -7.965
  602    H    GLY  89           H        GLY  89 -13.459   4.316  -7.617
  603    HA2  GLY  89           HA2      GLY  89 -11.501   3.899  -5.474
  604    HA3  GLY  89           HA3      GLY  89 -11.271   3.630  -7.206
  605    H    HIS  90           H        HIS  90  -9.215   4.347  -6.424
  606    HA   HIS  90           HA       HIS  90  -8.854   7.136  -7.252
  607    HB2  HIS  90           HB2      HIS  90  -7.493   7.811  -5.513
  608    HB3  HIS  90           HB3      HIS  90  -8.797   7.005  -4.691
  609    HD2  HIS  90           HD2      HIS  90  -5.114   7.057  -5.095
  610    HE1  HIS  90           HE1      HIS  90  -5.835   4.170  -2.091
  611    HE2  HIS  90           HE2      HIS  90  -4.069   5.616  -3.212
  612    H    LEU  91           H        LEU  91  -6.728   7.521  -8.164
  613    HA   LEU  91           HA       LEU  91  -5.719   5.340  -9.697
  614    HB2  LEU  91           HB2      LEU  91  -4.370   6.916 -10.794
  615    HB3  LEU  91           HB3      LEU  91  -5.920   7.661 -10.503
  616    HG   LEU  91           HG       LEU  91  -3.383   8.227  -8.884
  617   HD11  LEU  91          HD11      LEU  91  -4.722   9.848 -11.087
  618   HD12  LEU  91          HD12      LEU  91  -3.299  10.335 -10.140
  619   HD13  LEU  91          HD13      LEU  91  -3.197   8.949 -11.235
  620   HD21  LEU  91          HD21      LEU  91  -5.298   8.765  -7.500
  621   HD22  LEU  91          HD22      LEU  91  -4.641  10.269  -8.135
  622   HD23  LEU  91          HD23      LEU  91  -6.111   9.587  -8.857
  623    H    GLY  92           H        GLY  92  -5.349   4.924  -6.864
  624    HA2  GLY  92           HA2      GLY  92  -2.639   3.878  -6.791
  625    HA3  GLY  92           HA3      GLY  92  -2.973   5.118  -5.577
  626    H    ASP  93           H        ASP  93  -5.665   3.080  -6.550
  627    HA   ASP  93           HA       ASP  93  -5.449   1.274  -4.205
  628    HB2  ASP  93           HB2      ASP  93  -7.364   1.222  -6.606
  629    HB3  ASP  93           HB3      ASP  93  -7.568   0.376  -5.089
  630    H    LEU  94           H        LEU  94  -4.670  -1.020  -4.659
  631    HA   LEU  94           HA       LEU  94  -3.775  -1.560  -7.425
  632    HB2  LEU  94           HB2      LEU  94  -1.739  -1.602  -5.166
  633    HB3  LEU  94           HB3      LEU  94  -1.458  -2.016  -6.811
  634    HG   LEU  94           HG       LEU  94  -2.290   0.559  -7.169
  635   HD11  LEU  94          HD11      LEU  94  -0.807   0.550  -4.520
  636   HD12  LEU  94          HD12      LEU  94  -1.301   1.978  -5.474
  637   HD13  LEU  94          HD13      LEU  94  -2.525   0.906  -4.773
  638   HD21  LEU  94          HD21      LEU  94  -0.148  -0.556  -7.914
  639   HD22  LEU  94          HD22      LEU  94  -0.020   1.167  -7.510
  640   HD23  LEU  94          HD23      LEU  94   0.563  -0.058  -6.370
  641    HA   PRO  95           HA       PRO  95  -5.058  -5.560  -6.604
  642    HB2  PRO  95           HB2      PRO  95  -3.487  -7.170  -8.214
  643    HB3  PRO  95           HB3      PRO  95  -4.751  -6.054  -8.819
  644    HG2  PRO  95           HG2      PRO  95  -1.770  -5.533  -8.569
  645    HG3  PRO  95           HG3      PRO  95  -2.824  -5.254  -9.996
  646    HD2  PRO  95           HD2      PRO  95  -2.207  -3.250  -8.314
  647    HD3  PRO  95           HD3      PRO  95  -3.874  -3.390  -8.951
  648    H    VAL  96           H        VAL  96  -4.638  -7.654  -5.776
  649    HA   VAL  96           HA       VAL  96  -3.490  -7.088  -3.321
  650    HB   VAL  96           HB       VAL  96  -4.250  -9.410  -2.622
  651   HG11  VAL  96          HG11      VAL  96  -6.275  -7.601  -4.019
  652   HG12  VAL  96          HG12      VAL  96  -6.599  -8.751  -2.703
  653   HG13  VAL  96          HG13      VAL  96  -5.586  -7.328  -2.413
  654   HG21  VAL  96          HG21      VAL  96  -4.148 -10.512  -4.885
  655   HG22  VAL  96          HG22      VAL  96  -5.729 -10.631  -4.094
  656   HG23  VAL  96          HG23      VAL  96  -5.481  -9.466  -5.411
  657    H    LEU  97           H        LEU  97  -1.836  -7.424  -2.301
  658    HA   LEU  97           HA       LEU  97   0.560  -8.832  -3.160
  659    HB2  LEU  97           HB2      LEU  97   0.304  -6.575  -1.969
  660    HB3  LEU  97           HB3      LEU  97  -0.200  -7.428  -0.556
  661    HG   LEU  97           HG       LEU  97   1.879  -7.558   0.140
  662   HD11  LEU  97          HD11      LEU  97   2.742  -8.953  -2.439
  663   HD12  LEU  97          HD12      LEU  97   3.726  -8.776  -0.976
  664   HD13  LEU  97          HD13      LEU  97   2.268  -9.759  -0.923
  665   HD21  LEU  97          HD21      LEU  97   2.137  -5.485  -1.086
  666   HD22  LEU  97          HD22      LEU  97   3.672  -6.373  -0.971
  667   HD23  LEU  97          HD23      LEU  97   2.752  -6.385  -2.496
  668    H    VAL  98           H        VAL  98  -0.835 -10.889  -3.287
  669    HA   VAL  98           HA       VAL  98  -1.549 -12.281  -0.852
  670    HB   VAL  98           HB       VAL  98  -0.833 -13.466  -3.565
  671   HG11  VAL  98          HG11      VAL  98  -2.275 -14.687  -1.156
  672   HG12  VAL  98          HG12      VAL  98  -2.167 -15.435  -2.765
  673   HG13  VAL  98          HG13      VAL  98  -0.703 -15.199  -1.810
  674   HG21  VAL  98          HG21      VAL  98  -2.743 -11.956  -3.746
  675   HG22  VAL  98          HG22      VAL  98  -3.313 -13.622  -3.845
  676   HG23  VAL  98          HG23      VAL  98  -3.522 -12.703  -2.337
  677    H    VAL  99           H        VAL  99  -0.371 -13.485   0.538
  678    HA   VAL  99           HA       VAL  99   2.543 -13.914  -0.051
  679    HB   VAL  99           HB       VAL  99   3.089 -13.662   2.261
  680   HG11  VAL  99          HG11      VAL  99   1.247 -11.390   1.506
  681   HG12  VAL  99          HG12      VAL  99   2.535 -11.314   2.720
  682   HG13  VAL  99          HG13      VAL  99   2.907 -11.537   0.983
  683   HG21  VAL  99          HG21      VAL  99   0.952 -14.616   3.161
  684   HG22  VAL  99          HG22      VAL  99   1.710 -13.285   4.054
  685   HG23  VAL  99          HG23      VAL  99   0.286 -12.984   3.044
  686    H    ASN 100           H        ASN 100   3.439 -15.936   0.759
  687    HA   ASN 100           HA       ASN 100   1.586 -18.084   0.209
  688    HB2  ASN 100           HB2      ASN 100   3.493 -19.547   0.339
  689    HB3  ASN 100           HB3      ASN 100   3.854 -18.132  -0.629
  690   HD21  ASN 100          HD21      ASN 100   4.024 -18.078   2.977
  691   HD22  ASN 100          HD22      ASN 100   5.787 -18.166   2.990
  692    H    ASN 101           H        ASN 101   1.159 -19.941   1.518
  693    HA   ASN 101           HA       ASN 101  -0.026 -19.563   3.967
  694    HB2  ASN 101           HB2      ASN 101  -0.331 -21.874   4.036
  695    HB3  ASN 101           HB3      ASN 101  -0.158 -21.531   2.309
  696   HD21  ASN 101          HD21      ASN 101   2.223 -21.754   1.455
  697   HD22  ASN 101          HD22      ASN 101   3.355 -22.663   2.470
  698    H    ASP 102           H        ASP 102   3.347 -20.058   3.507
  699    HA   ASP 102           HA       ASP 102   4.070 -20.787   6.253
  700    HB2  ASP 102           HB2      ASP 102   5.712 -20.286   3.730
  701    HB3  ASP 102           HB3      ASP 102   6.416 -20.703   5.277
  702    H    GLY 103           H        GLY 103   3.181 -17.839   5.107
  703    HA2  GLY 103           HA2      GLY 103   3.271 -15.819   6.222
  704    HA3  GLY 103           HA3      GLY 103   4.536 -16.454   7.297
  705    H    ILE 104           H        ILE 104   4.756 -16.286   3.751
  706    HA   ILE 104           HA       ILE 104   6.807 -14.134   3.921
  707    HB   ILE 104           HB       ILE 104   7.198 -16.795   2.476
  708   HG12  ILE 104          HG12      ILE 104   8.472 -15.775   5.047
  709   HG13  ILE 104          HG13      ILE 104   7.383 -17.136   4.897
  710   HG21  ILE 104          HG21      ILE 104   9.199 -14.539   2.847
  711   HG22  ILE 104          HG22      ILE 104   9.429 -16.045   1.953
  712   HG23  ILE 104          HG23      ILE 104   8.290 -14.853   1.352
  713   HD11  ILE 104          HD11      ILE 104  10.223 -17.015   3.865
  714   HD12  ILE 104          HD12      ILE 104   9.557 -18.025   5.155
  715   HD13  ILE 104          HD13      ILE 104   9.065 -18.316   3.474
  716    H    ALA 105           H        ALA 105   6.749 -12.730   2.302
  717    HA   ALA 105           HA       ALA 105   4.580 -12.910   0.321
  718    HB1  ALA 105           HB1      ALA 105   6.587 -10.690   0.909
  719    HB2  ALA 105           HB2      ALA 105   5.063 -10.557  -0.013
  720    HB3  ALA 105           HB3      ALA 105   5.026 -10.848   1.730
  721    H    THR 106           H        THR 106   4.884 -13.495  -1.696
  722    HA   THR 106           HA       THR 106   7.530 -13.497  -3.036
  723    HB   THR 106           HB       THR 106   7.536 -15.535  -1.757
  724    HG1  THR 106           HG1      THR 106   8.519 -15.958  -3.597
  725   HG21  THR 106          HG21      THR 106   4.994 -16.368  -3.229
  726   HG22  THR 106          HG22      THR 106   5.971 -17.379  -2.156
  727   HG23  THR 106          HG23      THR 106   5.109 -15.991  -1.489
  728    H    GLU 107           H        GLU 107   4.010 -13.983  -3.301
  729    HA   GLU 107           HA       GLU 107   3.919 -14.394  -6.072
  730    HB2  GLU 107           HB2      GLU 107   1.768 -13.063  -4.416
  731    HB3  GLU 107           HB3      GLU 107   1.562 -13.953  -5.908
  732    HG2  GLU 107           HG2      GLU 107   2.429 -15.148  -3.221
  733    HG3  GLU 107           HG3      GLU 107   0.814 -15.202  -3.904
  734    HA   PRO 108           HA       PRO 108   4.822 -10.064  -7.266
  735    HB2  PRO 108           HB2      PRO 108   5.086 -10.378  -9.943
  736    HB3  PRO 108           HB3      PRO 108   6.299 -11.000  -8.784
  737    HG2  PRO 108           HG2      PRO 108   4.025 -12.529 -10.095
  738    HG3  PRO 108           HG3      PRO 108   5.754 -12.997  -9.987
  739    HD2  PRO 108           HD2      PRO 108   3.875 -13.915  -8.221
  740    HD3  PRO 108           HD3      PRO 108   5.553 -13.571  -7.714
  741    H    VAL 109           H        VAL 109   3.739  -8.344  -8.211
  742    HA   VAL 109           HA       VAL 109   1.300  -8.777  -9.834
  743    HB   VAL 109           HB       VAL 109  -0.012  -7.094  -8.664
  744   HG11  VAL 109          HG11      VAL 109   0.725  -9.306  -6.718
  745   HG12  VAL 109          HG12      VAL 109  -0.792  -8.387  -6.804
  746   HG13  VAL 109          HG13      VAL 109  -0.358  -9.486  -8.121
  747   HG21  VAL 109          HG21      VAL 109   1.688  -5.748  -7.561
  748   HG22  VAL 109          HG22      VAL 109   0.541  -6.350  -6.364
  749   HG23  VAL 109          HG23      VAL 109   2.137  -7.110  -6.504
  750    H    THR 110           H        THR 110   0.534  -6.409 -10.634
  751    HA   THR 110           HA       THR 110   2.843  -4.602 -11.098
  752    HB   THR 110           HB       THR 110   1.264  -5.949 -13.334
  753    HG1  THR 110           HG1      THR 110   3.172  -6.907 -13.806
  754   HG21  THR 110          HG21      THR 110   3.508  -3.880 -13.477
  755   HG22  THR 110          HG22      THR 110   2.868  -4.793 -14.855
  756   HG23  THR 110          HG23      THR 110   1.825  -3.656 -14.003
  757    H    ALA 111           H        ALA 111   2.224  -2.497 -11.403
  758    HA   ALA 111           HA       ALA 111  -0.689  -1.866 -11.324
  759    HB1  ALA 111           HB1      ALA 111   1.600   0.040 -10.813
  760    HB2  ALA 111           HB2      ALA 111  -0.080   0.149 -10.275
  761    HB3  ALA 111           HB3      ALA 111   1.022  -1.080  -9.586
  762    HA   PRO 112           HA       PRO 112   0.402  -1.005 -15.629
  763    HB2  PRO 112           HB2      PRO 112  -1.963  -1.490 -16.880
  764    HB3  PRO 112           HB3      PRO 112  -1.007  -2.788 -16.103
  765    HG2  PRO 112           HG2      PRO 112  -3.337  -1.236 -14.908
  766    HG3  PRO 112           HG3      PRO 112  -3.139  -3.018 -15.012
  767    HD2  PRO 112           HD2      PRO 112  -2.439  -1.643 -12.772
  768    HD3  PRO 112           HD3      PRO 112  -1.469  -3.028 -13.357
  769    H    ARG 113           H        ARG 113  -1.513   1.165 -13.787
  770    HA   ARG 113           HA       ARG 113  -2.346   2.795 -16.077
  771    HB2  ARG 113           HB2      ARG 113  -3.449   4.215 -14.643
  772    HB3  ARG 113           HB3      ARG 113  -3.637   2.634 -13.922
  773    HG2  ARG 113           HG2      ARG 113  -3.244   3.904 -12.073
  774    HG3  ARG 113           HG3      ARG 113  -1.606   3.358 -12.398
  775    HD2  ARG 113           HD2      ARG 113  -1.089   5.584 -13.427
  776    HD3  ARG 113           HD3      ARG 113  -2.775   6.063 -13.233
  777    HE   ARG 113           HE       ARG 113  -2.293   5.586 -10.705
  778   HH11  ARG 113          HH11      ARG 113   0.272   7.143 -12.788
  779   HH12  ARG 113          HH12      ARG 113   0.743   8.097 -11.469
  780   HH21  ARG 113          HH21      ARG 113  -1.456   6.738  -9.151
  781   HH22  ARG 113          HH22      ARG 113  -0.116   7.844  -9.429
  782    H    LEU 114           H        LEU 114   0.558   2.428 -14.431
  783    HA   LEU 114           HA       LEU 114   1.553   5.192 -14.962
  784    HB2  LEU 114           HB2      LEU 114   2.937   3.009 -13.350
  785    HB3  LEU 114           HB3      LEU 114   3.308   4.724 -13.426
  786    HG   LEU 114           HG       LEU 114   0.754   4.853 -12.470
  787   HD11  LEU 114          HD11      LEU 114   1.938   2.335 -11.232
  788   HD12  LEU 114          HD12      LEU 114   0.442   3.145 -10.726
  789   HD13  LEU 114          HD13      LEU 114   0.539   2.365 -12.310
  790   HD21  LEU 114          HD21      LEU 114   2.562   6.039 -11.454
  791   HD22  LEU 114          HD22      LEU 114   1.759   5.103 -10.190
  792   HD23  LEU 114          HD23      LEU 114   3.305   4.548 -10.873
  793    H    LYS 115           H        LYS 115   3.511   5.417 -16.008
  794    HA   LYS 115           HA       LYS 115   4.933   3.123 -17.139
  795    HB2  LYS 115           HB2      LYS 115   3.536   5.094 -18.994
  796    HB3  LYS 115           HB3      LYS 115   4.983   4.219 -19.462
  797    HG2  LYS 115           HG2      LYS 115   3.595   2.699 -20.277
  798    HG3  LYS 115           HG3      LYS 115   3.628   2.087 -18.634
  799    HD2  LYS 115           HD2      LYS 115   1.543   3.801 -18.377
  800    HD3  LYS 115           HD3      LYS 115   1.459   3.588 -20.121
  801    HE2  LYS 115           HE2      LYS 115   1.399   1.396 -17.988
  802    HE3  LYS 115           HE3      LYS 115   0.001   2.001 -18.866
  803    HZ1  LYS 115           HZ1      LYS 115   2.288   0.502 -20.039
  804    HZ2  LYS 115           HZ2      LYS 115   0.767  -0.038 -19.840
  805    HZ3  LYS 115           HZ3      LYS 115   1.072   1.162 -20.925
  806    H    SER 116           H        SER 116   5.331   5.269 -15.166
  807    HA   SER 116           HA       SER 116   8.167   5.571 -15.694
  808    HB2  SER 116           HB2      SER 116   6.353   8.008 -15.720
  809    HB3  SER 116           HB3      SER 116   8.041   8.116 -15.191
  810    HG   SER 116           HG       SER 116   7.370   6.876 -17.638
  811    H    LEU 117           H        LEU 117   9.270   5.485 -13.811
  812    HA   LEU 117           HA       LEU 117   7.925   5.098 -11.303
  813    HB2  LEU 117           HB2      LEU 117  10.127   4.100 -12.311
  814    HB3  LEU 117           HB3      LEU 117  10.876   5.613 -11.865
  815    HG   LEU 117           HG       LEU 117  10.236   5.159  -9.501
  816   HD11  LEU 117          HD11      LEU 117   9.471   2.425 -10.577
  817   HD12  LEU 117          HD12      LEU 117   9.717   2.802  -8.858
  818   HD13  LEU 117          HD13      LEU 117   8.406   3.589  -9.739
  819   HD21  LEU 117          HD21      LEU 117  12.517   4.664 -10.371
  820   HD22  LEU 117          HD22      LEU 117  12.046   3.460  -9.162
  821   HD23  LEU 117          HD23      LEU 117  11.994   3.051 -10.887
  822    H    ASP 118           H        ASP 118   9.441   7.811 -12.901
  823    HA   ASP 118           HA       ASP 118   9.569   9.806 -10.976
  824    HB2  ASP 118           HB2      ASP 118  10.070   9.744 -13.534
  825    HB3  ASP 118           HB3      ASP 118   8.397  10.234 -13.746
  826    H    GLU 119           H        GLU 119   6.613   8.317 -12.259
  827    HA   GLU 119           HA       GLU 119   4.737  10.349 -11.469
  828    HB2  GLU 119           HB2      GLU 119   4.397   7.347 -11.841
  829    HB3  GLU 119           HB3      GLU 119   3.073   8.485 -11.620
  830    HG2  GLU 119           HG2      GLU 119   3.579   9.612 -13.715
  831    HG3  GLU 119           HG3      GLU 119   5.006   8.607 -13.961
  832    H    VAL 120           H        VAL 120   6.628   8.259  -9.492
  833    HA   VAL 120           HA       VAL 120   4.807   8.710  -7.160
  834    HB   VAL 120           HB       VAL 120   5.179   6.374  -6.418
  835   HG11  VAL 120          HG11      VAL 120   3.834   6.569  -9.130
  836   HG12  VAL 120          HG12      VAL 120   3.604   5.297  -7.926
  837   HG13  VAL 120          HG13      VAL 120   3.102   6.958  -7.556
  838   HG21  VAL 120          HG21      VAL 120   7.272   5.919  -7.793
  839   HG22  VAL 120          HG22      VAL 120   6.029   4.661  -7.892
  840   HG23  VAL 120          HG23      VAL 120   6.228   5.805  -9.227
  841    H    LYS 121           H        LYS 121   7.578   9.766  -8.058
  842    HA   LYS 121           HA       LYS 121   9.542   8.666  -6.339
  843    HB2  LYS 121           HB2      LYS 121  10.979  10.421  -7.218
  844    HB3  LYS 121           HB3      LYS 121  10.003   9.679  -8.482
  845    HG2  LYS 121           HG2      LYS 121   8.425  11.625  -8.373
  846    HG3  LYS 121           HG3      LYS 121   9.463  12.393  -7.169
  847    HD2  LYS 121           HD2      LYS 121  11.218  12.756  -8.731
  848    HD3  LYS 121           HD3      LYS 121  10.632  11.500  -9.818
  849    HE2  LYS 121           HE2      LYS 121  10.132  13.548 -10.891
  850    HE3  LYS 121           HE3      LYS 121   8.615  12.855 -10.344
  851    HZ1  LYS 121           HZ1      LYS 121  10.095  15.032  -8.983
  852    HZ2  LYS 121           HZ2      LYS 121   8.746  15.204  -9.905
  853    HZ3  LYS 121           HZ3      LYS 121   8.613  14.393  -8.501
  854    H    ASP 122           H        ASP 122   7.137  10.176  -4.947
  855    HA   ASP 122           HA       ASP 122   8.700  10.867  -2.580
  856    HB2  ASP 122           HB2      ASP 122   8.657  13.002  -3.942
  857    HB3  ASP 122           HB3      ASP 122   6.905  13.018  -3.772
  858    H    LYS 123           H        LYS 123   6.778   8.814  -3.326
  859    HA   LYS 123           HA       LYS 123   4.508   9.422  -1.464
  860    HB2  LYS 123           HB2      LYS 123   4.367   7.389  -3.700
  861    HB3  LYS 123           HB3      LYS 123   3.048   8.094  -2.763
  862    HG2  LYS 123           HG2      LYS 123   4.704   9.464  -4.909
  863    HG3  LYS 123           HG3      LYS 123   3.050   8.910  -5.058
  864    HD2  LYS 123           HD2      LYS 123   3.351  10.783  -2.795
  865    HD3  LYS 123           HD3      LYS 123   3.969  11.462  -4.305
  866    HE2  LYS 123           HE2      LYS 123   1.690  10.580  -5.308
  867    HE3  LYS 123           HE3      LYS 123   1.182  10.508  -3.621
  868    HZ1  LYS 123           HZ1      LYS 123   2.200  12.959  -4.992
  869    HZ2  LYS 123           HZ2      LYS 123   0.649  12.705  -4.569
  870    HZ3  LYS 123           HZ3      LYS 123   1.773  12.865  -3.404
  871    H    ALA 124           H        ALA 124   3.702   7.740  -0.151
  872    HA   ALA 124           HA       ALA 124   5.577   5.510   0.435
  873    HB1  ALA 124           HB1      ALA 124   3.024   6.449   1.807
  874    HB2  ALA 124           HB2      ALA 124   4.078   5.132   2.351
  875    HB3  ALA 124           HB3      ALA 124   4.691   6.788   2.342
  876    H    LEU 125           H        LEU 125   5.089   3.408   0.029
  877    HA   LEU 125           HA       LEU 125   2.346   2.724  -0.943
  878    HB2  LEU 125           HB2      LEU 125   4.042   0.552  -1.548
  879    HB3  LEU 125           HB3      LEU 125   2.905   1.485  -2.504
  880    HG   LEU 125           HG       LEU 125   4.906   3.137  -2.873
  881   HD11  LEU 125          HD11      LEU 125   6.383   0.532  -2.211
  882   HD12  LEU 125          HD12      LEU 125   7.110   2.020  -2.841
  883   HD13  LEU 125          HD13      LEU 125   6.425   1.988  -1.208
  884   HD21  LEU 125          HD21      LEU 125   3.773   1.741  -4.570
  885   HD22  LEU 125          HD22      LEU 125   5.525   1.806  -4.864
  886   HD23  LEU 125          HD23      LEU 125   4.803   0.364  -4.130
  887    H    MET 126           H        MET 126   1.304   1.212   0.157
  888    HA   MET 126           HA       MET 126   2.634   0.083   2.625
  889    HB2  MET 126           HB2      MET 126   0.056   1.552   2.192
  890    HB3  MET 126           HB3      MET 126   0.317   0.559   3.649
  891    HG2  MET 126           HG2      MET 126   2.139   1.982   4.327
  892    HG3  MET 126           HG3      MET 126   2.055   2.917   2.840
  893    HE1  MET 126           HE1      MET 126   2.058   5.034   4.330
  894    HE2  MET 126           HE2      MET 126   0.844   5.424   5.568
  895    HE3  MET 126           HE3      MET 126   2.007   4.100   5.827
  896    H    ILE 127           H        ILE 127   2.183  -1.921   3.181
  897    HA   ILE 127           HA       ILE 127   0.388  -3.624   1.520
  898    HB   ILE 127           HB       ILE 127   2.161  -4.427   3.865
  899   HG12  ILE 127          HG12      ILE 127   2.680  -4.446   0.865
  900   HG13  ILE 127          HG13      ILE 127   3.573  -3.570   2.102
  901   HG21  ILE 127          HG21      ILE 127   0.729  -6.085   1.730
  902   HG22  ILE 127          HG22      ILE 127   1.740  -6.726   3.047
  903   HG23  ILE 127          HG23      ILE 127   0.219  -5.939   3.422
  904   HD11  ILE 127          HD11      ILE 127   3.571  -6.583   1.700
  905   HD12  ILE 127          HD12      ILE 127   4.885  -5.449   1.389
  906   HD13  ILE 127          HD13      ILE 127   4.358  -5.740   3.061
  907    H    HIS 128           H        HIS 128  -1.642  -3.448   1.946
  908    HA   HIS 128           HA       HIS 128  -2.660  -2.746   4.627
  909    HB2  HIS 128           HB2      HIS 128  -3.674  -2.524   1.796
  910    HB3  HIS 128           HB3      HIS 128  -4.788  -2.448   3.130
  911    HD1  HIS 128           HD1      HIS 128  -1.612  -0.568   2.015
  912    HD2  HIS 128           HD2      HIS 128  -5.157  -0.091   4.179
  913    HE1  HIS 128           HE1      HIS 128  -1.888   1.955   2.443
  914    H    VAL 129           H        VAL 129  -4.138  -4.021   5.730
  915    HA   VAL 129           HA       VAL 129  -3.375  -6.765   5.535
  916    HB   VAL 129           HB       VAL 129  -5.478  -5.467   7.277
  917   HG11  VAL 129          HG11      VAL 129  -4.274  -8.258   7.523
  918   HG12  VAL 129          HG12      VAL 129  -5.212  -7.445   8.795
  919   HG13  VAL 129          HG13      VAL 129  -5.989  -7.856   7.268
  920   HG21  VAL 129          HG21      VAL 129  -3.115  -4.673   7.613
  921   HG22  VAL 129          HG22      VAL 129  -3.723  -5.547   9.020
  922   HG23  VAL 129          HG23      VAL 129  -2.609  -6.344   7.886
  923    H    GLY 130           H        GLY 130  -6.451  -5.205   4.609
  924    HA2  GLY 130           HA2      GLY 130  -7.619  -7.815   3.746
  925    HA3  GLY 130           HA3      GLY 130  -8.470  -6.258   3.856
  926    H    GLY 131           H        GLY 131  -7.964  -8.300   1.646
  927    HA2  GLY 131           HA2      GLY 131  -6.626  -7.226  -0.517
  928    HA3  GLY 131           HA3      GLY 131  -8.016  -8.310  -0.621
  929    H    ASP 132           H        ASP 132  -7.395  -6.458  -2.502
  930    HA   ASP 132           HA       ASP 132  -8.448  -3.877  -1.699
  931    HB2  ASP 132           HB2      ASP 132  -6.043  -4.727  -2.534
  932    HB3  ASP 132           HB3      ASP 132  -6.622  -4.261  -4.063
  933    H    ASN 133           H        ASN 133 -10.546  -5.220  -2.304
  934    HA   ASN 133           HA       ASN 133 -11.617  -3.898  -4.754
  935    HB2  ASN 133           HB2      ASN 133 -12.754  -5.963  -5.389
  936    HB3  ASN 133           HB3      ASN 133 -11.020  -6.237  -5.298
  937   HD21  ASN 133          HD21      ASN 133 -12.097  -8.537  -5.291
  938   HD22  ASN 133          HD22      ASN 133 -12.368  -9.195  -3.680
  939    H    MET 134           H        MET 134 -11.893  -4.024  -1.500
  940    HA   MET 134           HA       MET 134 -14.811  -4.378  -1.301
  941    HB2  MET 134           HB2      MET 134 -12.661  -3.974   0.813
  942    HB3  MET 134           HB3      MET 134 -14.383  -4.224   1.145
  943    HG2  MET 134           HG2      MET 134 -14.209  -6.387  -0.216
  944    HG3  MET 134           HG3      MET 134 -12.471  -6.169  -0.209
  945    HE1  MET 134           HE1      MET 134 -11.375  -5.387   2.344
  946    HE2  MET 134           HE2      MET 134 -11.316  -6.859   3.338
  947    HE3  MET 134           HE3      MET 134 -10.902  -6.923   1.605
  948    H    SER 135           H        SER 135 -16.249  -2.793  -1.243
  949    HA   SER 135           HA       SER 135 -15.672  -0.148  -0.134
  950    HB2  SER 135           HB2      SER 135 -14.785  -0.111  -2.513
  951    HB3  SER 135           HB3      SER 135 -16.468  -0.277  -3.040
  952    HG   SER 135           HG       SER 135 -16.377   1.807  -2.875
  953    H    ASP 136           H        ASP 136 -17.971   1.061  -1.481
  954    HA   ASP 136           HA       ASP 136 -20.153   1.488  -1.214
  955    HB2  ASP 136           HB2      ASP 136 -20.581  -0.684  -2.270
  956    HB3  ASP 136           HB3      ASP 136 -20.480  -1.492  -0.711
  957    H    GLN 137           H        GLN 137 -18.863  -0.528   1.305
  958    HA   GLN 137           HA       GLN 137 -20.903  -0.320   3.191
  959    HB2  GLN 137           HB2      GLN 137 -17.961  -1.058   3.361
  960    HB3  GLN 137           HB3      GLN 137 -19.029  -1.222   4.756
  961    HG2  GLN 137           HG2      GLN 137 -20.351  -2.889   3.763
  962    HG3  GLN 137           HG3      GLN 137 -19.889  -2.452   2.122
  963   HE21  GLN 137          HE21      GLN 137 -17.706  -3.035   1.349
  964   HE22  GLN 137          HE22      GLN 137 -17.019  -4.508   2.062
  965    HA   PRO 138           HA       PRO 138 -20.759   3.555   5.102
  966    HB2  PRO 138           HB2      PRO 138 -21.466   2.999   7.728
  967    HB3  PRO 138           HB3      PRO 138 -22.602   2.912   6.349
  968    HG2  PRO 138           HG2      PRO 138 -21.058   0.638   7.619
  969    HG3  PRO 138           HG3      PRO 138 -22.805   0.715   7.227
  970    HD2  PRO 138           HD2      PRO 138 -21.104  -0.487   5.540
  971    HD3  PRO 138           HD3      PRO 138 -22.372   0.591   4.886
  972    H    LYS 139           H        LYS 139 -19.079   1.063   6.993
  973    HA   LYS 139           HA       LYS 139 -16.818   2.919   7.560
  974    HB2  LYS 139           HB2      LYS 139 -17.504   0.173   8.694
  975    HB3  LYS 139           HB3      LYS 139 -16.051   1.107   9.091
  976    HG2  LYS 139           HG2      LYS 139 -17.424   2.908  10.070
  977    HG3  LYS 139           HG3      LYS 139 -18.902   2.114   9.544
  978    HD2  LYS 139           HD2      LYS 139 -18.864   1.643  11.769
  979    HD3  LYS 139           HD3      LYS 139 -18.279   0.145  11.047
  980    HE2  LYS 139           HE2      LYS 139 -15.975   0.688  11.693
  981    HE3  LYS 139           HE3      LYS 139 -16.461   2.325  12.172
  982    HZ1  LYS 139           HZ1      LYS 139 -17.370  -0.158  13.531
  983    HZ2  LYS 139           HZ2      LYS 139 -16.292   0.940  14.134
  984    HZ3  LYS 139           HZ3      LYS 139 -17.853   1.348  13.899
  985    HA   PRO 140           HA       PRO 140 -16.139   0.936   3.596
  986    HB2  PRO 140           HB2      PRO 140 -14.241   2.576   2.487
  987    HB3  PRO 140           HB3      PRO 140 -15.933   3.078   2.776
  988    HG2  PRO 140           HG2      PRO 140 -13.526   3.548   4.573
  989    HG3  PRO 140           HG3      PRO 140 -14.706   4.760   3.971
  990    HD2  PRO 140           HD2      PRO 140 -14.988   3.643   6.420
  991    HD3  PRO 140           HD3      PRO 140 -16.416   3.930   5.378
  992    H    LEU 141           H        LEU 141 -14.155   0.329   2.125
  993    HA   LEU 141           HA       LEU 141 -12.476  -1.101   1.675
  994    HB2  LEU 141           HB2      LEU 141 -11.322  -0.001   4.273
  995    HB3  LEU 141           HB3      LEU 141 -10.453  -1.086   3.212
  996    HG   LEU 141           HG       LEU 141 -11.529   1.576   2.224
  997   HD11  LEU 141          HD11      LEU 141  -8.737   0.913   3.262
  998   HD12  LEU 141          HD12      LEU 141  -9.263   2.454   2.549
  999   HD13  LEU 141          HD13      LEU 141  -9.933   1.927   4.099
 1000   HD21  LEU 141          HD21      LEU 141 -11.004  -0.072   0.446
 1001   HD22  LEU 141          HD22      LEU 141  -9.800   1.215   0.460
 1002   HD23  LEU 141          HD23      LEU 141  -9.405  -0.363   1.163
 1003    H    GLY 142           H        GLY 142 -14.648  -1.875   4.010
 1004    HA2  GLY 142           HA2      GLY 142 -15.245  -3.905   4.991
 1005    HA3  GLY 142           HA3      GLY 142 -14.094  -4.702   3.892
 1006    H    GLY 143           H        GLY 143 -13.055  -2.181   6.105
 1007    HA2  GLY 143           HA2      GLY 143 -11.783  -2.323   8.100
 1008    HA3  GLY 143           HA3      GLY 143 -11.714  -4.096   7.949
 1009    H    GLY 144           H        GLY 144 -10.901  -3.236   4.923
 1010    HA2  GLY 144           HA2      GLY 144  -8.117  -3.780   5.228
 1011    HA3  GLY 144           HA3      GLY 144  -8.961  -3.323   3.730
 1012    H    GLY 145           H        GLY 145  -9.041  -1.131   6.433
 1013    HA2  GLY 145           HA2      GLY 145  -7.144   0.788   5.163
 1014    HA3  GLY 145           HA3      GLY 145  -8.210   1.098   6.558
 1015    H    THR 146           H        THR 146  -7.139  -1.719   7.584
 1016    HA   THR 146           HA       THR 146  -4.875  -0.673   9.110
 1017    HB   THR 146           HB       THR 146  -4.822  -3.031  10.028
 1018    HG1  THR 146           HG1      THR 146  -6.758  -4.255   9.450
 1019   HG21  THR 146          HG21      THR 146  -7.575  -1.707  10.107
 1020   HG22  THR 146          HG22      THR 146  -6.891  -2.823  11.304
 1021   HG23  THR 146          HG23      THR 146  -6.183  -1.214  11.096
 1022    H    ARG 147           H        ARG 147  -2.754  -1.549   9.062
 1023    HA   ARG 147           HA       ARG 147  -1.883  -2.862   6.560
 1024    HB2  ARG 147           HB2      ARG 147  -0.093  -0.926   6.439
 1025    HB3  ARG 147           HB3      ARG 147  -1.657  -0.810   5.669
 1026    HG2  ARG 147           HG2      ARG 147  -1.091   1.291   6.663
 1027    HG3  ARG 147           HG3      ARG 147  -2.528   0.642   7.413
 1028    HD2  ARG 147           HD2      ARG 147  -0.196  -0.146   8.977
 1029    HD3  ARG 147           HD3      ARG 147  -0.083   1.553   8.611
 1030    HE   ARG 147           HE       ARG 147  -2.204   1.977   9.666
 1031   HH11  ARG 147          HH11      ARG 147  -0.768  -1.165  10.588
 1032   HH12  ARG 147          HH12      ARG 147  -1.632  -1.169  12.093
 1033   HH21  ARG 147          HH21      ARG 147  -3.482   1.711  11.501
 1034   HH22  ARG 147          HH22      ARG 147  -3.178   0.381  12.552
 1035    H    TYR 148           H        TYR 148   0.047  -3.908   6.586
 1036    HA   TYR 148           HA       TYR 148   1.143  -4.395   9.330
 1037    HB2  TYR 148           HB2      TYR 148   0.244  -6.224   7.630
 1038    HB3  TYR 148           HB3      TYR 148   1.858  -6.167   6.949
 1039    HD1  TYR 148           HD1      TYR 148  -0.005  -6.537  10.188
 1040    HD2  TYR 148           HD2      TYR 148   3.588  -7.449   7.981
 1041    HE1  TYR 148           HE1      TYR 148   0.727  -8.055  12.013
 1042    HE2  TYR 148           HE2      TYR 148   4.305  -8.995   9.800
 1043    HH   TYR 148           HH       TYR 148   2.391  -9.416  12.802
 1044    H    ALA 149           H        ALA 149   2.149  -3.181   6.152
 1045    HA   ALA 149           HA       ALA 149   4.669  -2.203   7.316
 1046    HB1  ALA 149           HB1      ALA 149   4.605  -4.054   4.885
 1047    HB2  ALA 149           HB2      ALA 149   6.037  -3.257   5.551
 1048    HB3  ALA 149           HB3      ALA 149   5.209  -4.501   6.504
 1049    H    CYS 150           H        CYS 150   5.783  -0.669   6.056
 1050    HA   CYS 150           HA       CYS 150   4.395   0.605   3.765
 1051    HB2  CYS 150           HB2      CYS 150   3.659   1.686   5.898
 1052    HB3  CYS 150           HB3      CYS 150   5.346   2.032   6.268
 1053    H    GLY 151           H        GLY 151   5.771   1.921   2.516
 1054    HA2  GLY 151           HA2      GLY 151   8.665   2.039   3.126
 1055    HA3  GLY 151           HA3      GLY 151   8.210   1.260   1.609
 1056    H    VAL 152           H        VAL 152   9.225   4.073   2.823
 1057    HA   VAL 152           HA       VAL 152   7.885   5.973   1.074
 1058    HB   VAL 152           HB       VAL 152  10.585   6.178   2.482
 1059   HG11  VAL 152          HG11      VAL 152   8.862   8.312   1.159
 1060   HG12  VAL 152          HG12      VAL 152  10.251   8.649   2.217
 1061   HG13  VAL 152          HG13      VAL 152  10.498   7.813   0.683
 1062   HG21  VAL 152          HG21      VAL 152   8.845   5.882   4.140
 1063   HG22  VAL 152          HG22      VAL 152   9.324   7.579   4.137
 1064   HG23  VAL 152          HG23      VAL 152   7.809   7.087   3.344
 1065    H    ILE 153           H        ILE 153   8.174   6.174  -1.090
 1066    HA   ILE 153           HA       ILE 153  10.446   4.929  -2.495
 1067    HB   ILE 153           HB       ILE 153   8.256   6.788  -3.489
 1068   HG12  ILE 153          HG12      ILE 153   8.537   3.807  -4.061
 1069   HG13  ILE 153          HG13      ILE 153   7.630   4.376  -2.666
 1070   HG21  ILE 153          HG21      ILE 153  10.348   5.160  -5.027
 1071   HG22  ILE 153          HG22      ILE 153   9.016   6.062  -5.773
 1072   HG23  ILE 153          HG23      ILE 153  10.279   6.929  -4.920
 1073   HD11  ILE 153          HD11      ILE 153   7.029   5.124  -5.547
 1074   HD12  ILE 153          HD12      ILE 153   6.140   3.967  -4.575
 1075   HD13  ILE 153          HD13      ILE 153   6.120   5.677  -4.119
 1076    H    LYS 154           H        LYS 154  12.399   5.818  -2.387
 1077    HA   LYS 154           HA       LYS 154  12.816   8.500  -1.441
 1078    HB2  LYS 154           HB2      LYS 154  14.813   6.564  -2.705
 1079    HB3  LYS 154           HB3      LYS 154  15.206   7.945  -1.684
 1080    HG2  LYS 154           HG2      LYS 154  13.671   5.455  -0.788
 1081    HG3  LYS 154           HG3      LYS 154  15.379   5.753  -0.509
 1082    HD2  LYS 154           HD2      LYS 154  14.963   7.550   0.992
 1083    HD3  LYS 154           HD3      LYS 154  13.255   7.670   0.527
 1084    HE2  LYS 154           HE2      LYS 154  12.724   5.540   1.491
 1085    HE3  LYS 154           HE3      LYS 154  14.423   5.196   1.856
 1086    HZ1  LYS 154           HZ1      LYS 154  13.271   7.641   2.973
 1087    HZ2  LYS 154           HZ2      LYS 154  12.841   6.174   3.656
 1088    HZ3  LYS 154           HZ3      LYS 154  14.404   6.623   3.608
  Start of MODEL   29
    1    H1   ALA   1           H1       ALA   1  12.644  -0.549 -15.193
    2    H2   ALA   1           H2       ALA   1  12.900   0.295 -16.570
    3    H3   ALA   1           H3       ALA   1  11.589   0.605 -15.616
    4    HA   ALA   1           HA       ALA   1  14.430   1.066 -14.964
    5    HB1  ALA   1           HB1      ALA   1  12.149   3.081 -15.239
    6    HB2  ALA   1           HB2      ALA   1  13.831   3.453 -14.803
    7    HB3  ALA   1           HB3      ALA   1  13.459   2.819 -16.415
    8    H    SER   2           H        SER   2  14.770   2.058 -12.710
    9    HA   SER   2           HA       SER   2  13.290  -0.064 -11.194
   10    HB2  SER   2           HB2      SER   2  16.275   0.401 -11.302
   11    HB3  SER   2           HB3      SER   2  15.388  -1.021 -10.711
   12    HG   SER   2           HG       SER   2  16.243  -1.383 -12.805
   13    H    GLU   3           H        GLU   3  12.818   0.046  -9.215
   14    HA   GLU   3           HA       GLU   3  14.380   1.738  -7.362
   15    HB2  GLU   3           HB2      GLU   3  12.579   3.217  -8.028
   16    HB3  GLU   3           HB3      GLU   3  11.382   1.921  -7.811
   17    HG2  GLU   3           HG2      GLU   3  11.198   3.512  -6.027
   18    HG3  GLU   3           HG3      GLU   3  11.753   1.950  -5.401
   19    H    LYS   4           H        LYS   4  14.285   0.965  -5.289
   20    HA   LYS   4           HA       LYS   4  12.954  -1.666  -4.808
   21    HB2  LYS   4           HB2      LYS   4  14.987  -2.428  -3.551
   22    HB3  LYS   4           HB3      LYS   4  15.081  -2.360  -5.305
   23    HG2  LYS   4           HG2      LYS   4  16.313  -0.155  -5.105
   24    HG3  LYS   4           HG3      LYS   4  16.391  -0.415  -3.356
   25    HD2  LYS   4           HD2      LYS   4  17.793  -2.362  -3.629
   26    HD3  LYS   4           HD3      LYS   4  17.368  -2.499  -5.340
   27    HE2  LYS   4           HE2      LYS   4  19.470  -1.601  -5.493
   28    HE3  LYS   4           HE3      LYS   4  18.401  -0.208  -5.688
   29    HZ1  LYS   4           HZ1      LYS   4  19.797  -0.942  -3.155
   30    HZ2  LYS   4           HZ2      LYS   4  20.263   0.259  -4.160
   31    HZ3  LYS   4           HZ3      LYS   4  18.851   0.398  -3.382
   32    H    VAL   5           H        VAL   5  11.295  -1.107  -3.426
   33    HA   VAL   5           HA       VAL   5  11.893   1.017  -1.435
   34    HB   VAL   5           HB       VAL   5   9.309  -0.322  -2.262
   35   HG11  VAL   5          HG11      VAL   5   9.779   1.913  -0.226
   36   HG12  VAL   5          HG12      VAL   5   8.198   1.421  -0.875
   37   HG13  VAL   5          HG13      VAL   5   9.134   0.300   0.126
   38   HG21  VAL   5          HG21      VAL   5  10.374   1.335  -3.843
   39   HG22  VAL   5          HG22      VAL   5   8.790   1.845  -3.234
   40   HG23  VAL   5          HG23      VAL   5  10.275   2.565  -2.573
   41    H    GLY   6           H        GLY   6  12.494   0.598   0.519
   42    HA2  GLY   6           HA2      GLY   6  12.444  -2.044   1.779
   43    HA3  GLY   6           HA3      GLY   6  13.067  -0.520   2.473
   44    H    MET   7           H        MET   7  10.537  -2.741   2.367
   45    HA   MET   7           HA       MET   7   8.382  -1.019   3.366
   46    HB2  MET   7           HB2      MET   7   8.604  -4.014   2.962
   47    HB3  MET   7           HB3      MET   7   7.097  -3.135   3.299
   48    HG2  MET   7           HG2      MET   7   8.872  -2.779   0.852
   49    HG3  MET   7           HG3      MET   7   7.410  -3.777   0.917
   50    HE1  MET   7           HE1      MET   7   5.729  -1.295   2.770
   51    HE2  MET   7           HE2      MET   7   4.752  -0.820   1.364
   52    HE3  MET   7           HE3      MET   7   5.074  -2.544   1.683
   53    H    ASN   8           H        ASN   8   9.079  -0.302   5.459
   54    HA   ASN   8           HA       ASN   8   9.975  -2.299   7.425
   55    HB2  ASN   8           HB2      ASN   8  10.559   0.310   7.256
   56    HB3  ASN   8           HB3      ASN   8   9.157   0.434   8.336
   57   HD21  ASN   8          HD21      ASN   8  12.338   0.552   8.570
   58   HD22  ASN   8          HD22      ASN   8  12.657  -0.528   9.930
   59    H    LEU   9           H        LEU   9   8.805  -2.861   9.375
   60    HA   LEU   9           HA       LEU   9   5.941  -3.228   8.941
   61    HB2  LEU   9           HB2      LEU   9   7.682  -3.694  11.401
   62    HB3  LEU   9           HB3      LEU   9   5.989  -4.167  11.269
   63    HG   LEU   9           HG       LEU   9   8.255  -5.243   9.543
   64   HD11  LEU   9          HD11      LEU   9   6.666  -6.613  11.758
   65   HD12  LEU   9          HD12      LEU   9   8.024  -7.295  10.826
   66   HD13  LEU   9          HD13      LEU   9   8.303  -5.955  11.943
   67   HD21  LEU   9          HD21      LEU   9   6.218  -5.340   8.246
   68   HD22  LEU   9          HD22      LEU   9   6.526  -6.964   8.870
   69   HD23  LEU   9          HD23      LEU   9   5.296  -5.940   9.644
   70    H    VAL  10           H        VAL  10   4.254  -2.157   9.899
   71    HA   VAL  10           HA       VAL  10   4.856   0.116  11.714
   72    HB   VAL  10           HB       VAL  10   3.214   1.573  10.583
   73   HG11  VAL  10          HG11      VAL  10   5.582   0.857   8.800
   74   HG12  VAL  10          HG12      VAL  10   4.687   2.392   8.818
   75   HG13  VAL  10          HG13      VAL  10   5.629   1.911  10.232
   76   HG21  VAL  10          HG21      VAL  10   1.960  -0.083   9.250
   77   HG22  VAL  10          HG22      VAL  10   2.577   1.225   8.243
   78   HG23  VAL  10          HG23      VAL  10   3.383  -0.357   8.229
   79    H    THR  11           H        THR  11   3.398   0.493  13.261
   80    HA   THR  11           HA       THR  11   0.771  -0.709  13.444
   81    HB   THR  11           HB       THR  11   1.775  -2.820  13.447
   82    HG1  THR  11           HG1      THR  11   1.253  -2.018  16.086
   83   HG21  THR  11          HG21      THR  11   3.639  -1.928  15.693
   84   HG22  THR  11          HG22      THR  11   3.418  -3.587  15.107
   85   HG23  THR  11          HG23      THR  11   4.106  -2.362  14.037
   86    H    ALA  12           H        ALA  12   0.769   1.577  13.920
   87    HA   ALA  12           HA       ALA  12   0.016   3.177  15.309
   88    HB1  ALA  12           HB1      ALA  12   0.216   1.119  17.551
   89    HB2  ALA  12           HB2      ALA  12  -0.692   2.627  17.567
   90    HB3  ALA  12           HB3      ALA  12  -1.167   1.340  16.448
   91    H    GLN  13           H        GLN  13   2.883   1.576  16.819
   92    HA   GLN  13           HA       GLN  13   3.730   4.044  18.036
   93    HB2  GLN  13           HB2      GLN  13   5.174   1.434  17.553
   94    HB3  GLN  13           HB3      GLN  13   6.015   2.863  18.178
   95    HG2  GLN  13           HG2      GLN  13   5.336   1.472  20.048
   96    HG3  GLN  13           HG3      GLN  13   4.471   3.028  20.094
   97   HE21  GLN  13          HE21      GLN  13   4.050  -0.246  18.610
   98   HE22  GLN  13          HE22      GLN  13   2.289  -0.023  18.556
   99    H    GLY  14           H        GLY  14   3.679   3.128  14.800
  100    HA2  GLY  14           HA2      GLY  14   4.351   4.519  12.970
  101    HA3  GLY  14           HA3      GLY  14   5.729   5.118  13.943
  102    H    VAL  15           H        VAL  15   7.230   4.564  12.414
  103    HA   VAL  15           HA       VAL  15   7.636   2.064  11.112
  104    HB   VAL  15           HB       VAL  15   9.635   4.225  11.901
  105   HG11  VAL  15          HG11      VAL  15   9.936   1.961   9.883
  106   HG12  VAL  15          HG12      VAL  15  11.075   3.306  10.099
  107   HG13  VAL  15          HG13      VAL  15  10.853   2.129  11.396
  108   HG21  VAL  15          HG21      VAL  15   7.932   5.127  10.438
  109   HG22  VAL  15          HG22      VAL  15   9.396   4.884   9.483
  110   HG23  VAL  15          HG23      VAL  15   8.059   3.730   9.340
  111    H    GLY  16           H        GLY  16   8.325   0.176  11.817
  112    HA2  GLY  16           HA2      GLY  16   9.040  -0.104  14.704
  113    HA3  GLY  16           HA3      GLY  16   8.239  -1.301  13.655
  114    H    GLN  17           H        GLN  17   9.460  -2.683  12.398
  115    HA   GLN  17           HA       GLN  17  12.368  -2.718  12.639
  116    HB2  GLN  17           HB2      GLN  17  12.428  -4.903  13.808
  117    HB3  GLN  17           HB3      GLN  17  11.849  -3.577  14.793
  118    HG2  GLN  17           HG2      GLN  17  10.122  -4.836  15.406
  119    HG3  GLN  17           HG3      GLN  17   9.461  -4.695  13.767
  120   HE21  GLN  17          HE21      GLN  17  10.581  -6.372  12.145
  121   HE22  GLN  17          HE22      GLN  17  10.749  -7.996  12.852
  122    H    SER  18           H        SER  18  13.246  -3.707  10.899
  123    HA   SER  18           HA       SER  18  11.294  -4.173   8.795
  124    HB2  SER  18           HB2      SER  18  13.044  -2.506   8.566
  125    HB3  SER  18           HB3      SER  18  14.294  -3.755   8.744
  126    HG   SER  18           HG       SER  18  14.020  -3.327   6.602
  127    H    ILE  19           H        ILE  19  11.333  -5.743   7.235
  128    HA   ILE  19           HA       ILE  19  12.690  -8.342   7.758
  129    HB   ILE  19           HB       ILE  19  10.562  -9.530   7.492
  130   HG12  ILE  19          HG12      ILE  19   8.731  -8.550   8.457
  131   HG13  ILE  19          HG13      ILE  19   9.435  -6.934   8.610
  132   HG21  ILE  19          HG21      ILE  19  11.096  -8.052  10.093
  133   HG22  ILE  19          HG22      ILE  19  10.253  -9.596   9.885
  134   HG23  ILE  19          HG23      ILE  19  11.978  -9.488   9.525
  135   HD11  ILE  19          HD11      ILE  19   8.875  -8.336   5.952
  136   HD12  ILE  19          HD12      ILE  19   7.768  -7.181   6.718
  137   HD13  ILE  19          HD13      ILE  19   9.365  -6.637   6.194
  138    H    GLY  20           H        GLY  20  11.760  -6.090   5.371
  139    HA2  GLY  20           HA2      GLY  20  12.579  -7.787   3.188
  140    HA3  GLY  20           HA3      GLY  20  10.825  -7.727   3.292
  141    H    THR  21           H        THR  21  12.576  -6.755   1.154
  142    HA   THR  21           HA       THR  21  11.407  -3.996   0.962
  143    HB   THR  21           HB       THR  21  13.000  -3.297  -0.535
  144    HG1  THR  21           HG1      THR  21  13.772  -6.022  -0.801
  145   HG21  THR  21          HG21      THR  21  14.737  -5.120   1.169
  146   HG22  THR  21          HG22      THR  21  15.174  -3.588   0.386
  147   HG23  THR  21          HG23      THR  21  14.037  -3.595   1.746
  148    H    VAL  22           H        VAL  22  10.732  -3.581  -1.350
  149    HA   VAL  22           HA       VAL  22  10.081  -6.071  -2.852
  150    HB   VAL  22           HB       VAL  22   8.272  -3.609  -2.828
  151   HG11  VAL  22          HG11      VAL  22   8.237  -6.260  -4.332
  152   HG12  VAL  22          HG12      VAL  22   6.848  -5.240  -4.206
  153   HG13  VAL  22          HG13      VAL  22   8.279  -4.625  -5.036
  154   HG21  VAL  22          HG21      VAL  22   7.970  -4.999  -0.774
  155   HG22  VAL  22          HG22      VAL  22   6.564  -5.087  -1.835
  156   HG23  VAL  22          HG23      VAL  22   7.723  -6.430  -1.790
  157    H    VAL  23           H        VAL  23  10.818  -6.049  -4.886
  158    HA   VAL  23           HA       VAL  23  12.227  -3.588  -5.794
  159    HB   VAL  23           HB       VAL  23  13.432  -5.679  -5.840
  160   HG11  VAL  23          HG11      VAL  23  11.576  -6.664  -7.950
  161   HG12  VAL  23          HG12      VAL  23  13.205  -7.305  -7.643
  162   HG13  VAL  23          HG13      VAL  23  12.022  -7.373  -6.353
  163   HG21  VAL  23          HG21      VAL  23  14.041  -3.752  -7.303
  164   HG22  VAL  23          HG22      VAL  23  14.506  -5.305  -8.017
  165   HG23  VAL  23          HG23      VAL  23  13.062  -4.459  -8.608
  166    H    ILE  24           H        ILE  24  11.560  -2.328  -7.368
  167    HA   ILE  24           HA       ILE  24   8.970  -2.881  -8.756
  168    HB   ILE  24           HB       ILE  24  10.143  -0.354  -7.513
  169   HG12  ILE  24          HG12      ILE  24   7.410  -1.275  -6.835
  170   HG13  ILE  24          HG13      ILE  24   8.602  -2.277  -6.154
  171   HG21  ILE  24          HG21      ILE  24   7.680  -0.758  -9.243
  172   HG22  ILE  24          HG22      ILE  24   7.961   0.704  -8.265
  173   HG23  ILE  24          HG23      ILE  24   9.068   0.300  -9.575
  174   HD11  ILE  24          HD11      ILE  24   8.395   0.759  -5.865
  175   HD12  ILE  24          HD12      ILE  24   7.746  -0.436  -4.720
  176   HD13  ILE  24          HD13      ILE  24   9.512  -0.330  -4.985
  177    H    ASP  25           H        ASP  25   9.408  -3.235 -10.850
  178    HA   ASP  25           HA       ASP  25  11.385  -1.446 -12.212
  179    HB2  ASP  25           HB2      ASP  25  12.261  -3.602 -12.128
  180    HB3  ASP  25           HB3      ASP  25  10.768  -4.351 -12.765
  181    H    GLU  26           H        GLU  26  10.323   0.060 -13.070
  182    HA   GLU  26           HA       GLU  26   7.718   0.232 -14.174
  183    HB2  GLU  26           HB2      GLU  26   9.761   1.941 -13.551
  184    HB3  GLU  26           HB3      GLU  26  10.020   1.841 -15.293
  185    HG2  GLU  26           HG2      GLU  26   7.647   2.854 -13.753
  186    HG3  GLU  26           HG3      GLU  26   8.730   3.724 -14.825
  187    H    THR  27           H        THR  27   6.919  -0.276 -16.189
  188    HA   THR  27           HA       THR  27   8.556  -0.432 -18.506
  189    HB   THR  27           HB       THR  27   9.327  -2.519 -17.462
  190    HG1  THR  27           HG1      THR  27   9.277  -3.623 -19.229
  191   HG21  THR  27          HG21      THR  27   6.445  -3.466 -17.642
  192   HG22  THR  27          HG22      THR  27   7.859  -4.499 -17.327
  193   HG23  THR  27          HG23      THR  27   7.417  -3.244 -16.171
  194    H    GLU  28           H        GLU  28   7.080  -1.941 -20.185
  195    HA   GLU  28           HA       GLU  28   4.926  -0.230 -20.909
  196    HB2  GLU  28           HB2      GLU  28   6.105  -1.626 -22.476
  197    HB3  GLU  28           HB3      GLU  28   5.644  -3.092 -21.583
  198    HG2  GLU  28           HG2      GLU  28   3.294  -2.795 -22.273
  199    HG3  GLU  28           HG3      GLU  28   3.696  -1.247 -23.044
  200    H    GLY  29           H        GLY  29   4.931  -3.211 -19.018
  201    HA2  GLY  29           HA2      GLY  29   2.044  -3.104 -18.492
  202    HA3  GLY  29           HA3      GLY  29   3.188  -4.320 -17.835
  203    H    GLY  30           H        GLY  30   4.161  -1.149 -17.459
  204    HA2  GLY  30           HA2      GLY  30   4.098   0.506 -15.787
  205    HA3  GLY  30           HA3      GLY  30   2.802  -0.344 -14.963
  206    H    LEU  31           H        LEU  31   3.627  -0.311 -12.967
  207    HA   LEU  31           HA       LEU  31   6.423  -0.878 -12.385
  208    HB2  LEU  31           HB2      LEU  31   3.989  -0.512 -10.582
  209    HB3  LEU  31           HB3      LEU  31   5.667  -0.542 -10.025
  210    HG   LEU  31           HG       LEU  31   4.429   1.555 -11.862
  211   HD11  LEU  31          HD11      LEU  31   5.304   1.738  -8.945
  212   HD12  LEU  31          HD12      LEU  31   4.610   3.048  -9.924
  213   HD13  LEU  31          HD13      LEU  31   3.625   1.635  -9.512
  214   HD21  LEU  31          HD21      LEU  31   6.842   1.288 -12.328
  215   HD22  LEU  31          HD22      LEU  31   6.490   2.839 -11.557
  216   HD23  LEU  31          HD23      LEU  31   7.205   1.524 -10.609
  217    H    LYS  32           H        LYS  32   7.084  -2.958 -12.814
  218    HA   LYS  32           HA       LYS  32   5.550  -5.274 -11.948
  219    HB2  LYS  32           HB2      LYS  32   7.288  -5.037 -13.933
  220    HB3  LYS  32           HB3      LYS  32   8.478  -5.411 -12.693
  221    HG2  LYS  32           HG2      LYS  32   6.579  -7.365 -12.195
  222    HG3  LYS  32           HG3      LYS  32   6.305  -7.078 -13.910
  223    HD2  LYS  32           HD2      LYS  32   7.772  -8.908 -13.786
  224    HD3  LYS  32           HD3      LYS  32   8.806  -7.546 -14.268
  225    HE2  LYS  32           HE2      LYS  32   9.645  -7.291 -12.018
  226    HE3  LYS  32           HE3      LYS  32   8.391  -8.373 -11.360
  227    HZ1  LYS  32           HZ1      LYS  32  10.695  -9.215 -13.024
  228    HZ2  LYS  32           HZ2      LYS  32  10.468  -9.525 -11.469
  229    HZ3  LYS  32           HZ3      LYS  32   9.480 -10.232 -12.561
  230    H    PHE  33           H        PHE  33   5.338  -5.788  -9.906
  231    HA   PHE  33           HA       PHE  33   7.187  -4.881  -7.801
  232    HB2  PHE  33           HB2      PHE  33   4.615  -4.457  -8.155
  233    HB3  PHE  33           HB3      PHE  33   4.410  -6.102  -7.560
  234    HD1  PHE  33           HD1      PHE  33   6.027  -2.863  -6.742
  235    HD2  PHE  33           HD2      PHE  33   3.998  -6.328  -5.256
  236    HE1  PHE  33           HE1      PHE  33   5.920  -1.812  -4.460
  237    HE2  PHE  33           HE2      PHE  33   3.843  -5.269  -2.994
  238    HZ   PHE  33           HZ       PHE  33   4.808  -3.020  -2.605
  239    H    THR  34           H        THR  34   8.834  -6.489  -7.321
  240    HA   THR  34           HA       THR  34   7.860  -9.332  -7.166
  241    HB   THR  34           HB       THR  34  10.760  -8.634  -7.413
  242    HG1  THR  34           HG1      THR  34   9.742  -7.774  -9.185
  243   HG21  THR  34          HG21      THR  34   9.121 -11.101  -8.067
  244   HG22  THR  34          HG22      THR  34  10.873 -10.909  -8.298
  245   HG23  THR  34          HG23      THR  34  10.191 -10.890  -6.663
  246    HA   PRO  35           HA       PRO  35   8.630  -8.161  -2.860
  247    HB2  PRO  35           HB2      PRO  35   7.110 -10.057  -1.621
  248    HB3  PRO  35           HB3      PRO  35   6.377  -8.663  -2.483
  249    HG2  PRO  35           HG2      PRO  35   6.827 -11.493  -3.485
  250    HG3  PRO  35           HG3      PRO  35   5.326 -10.515  -3.579
  251    HD2  PRO  35           HD2      PRO  35   7.098 -10.731  -5.653
  252    HD3  PRO  35           HD3      PRO  35   6.186  -9.217  -5.341
  253    H    HIS  36           H        HIS  36   9.873  -8.997  -1.133
  254    HA   HIS  36           HA       HIS  36  10.597 -11.852  -1.220
  255    HB2  HIS  36           HB2      HIS  36  12.900 -11.600  -1.349
  256    HB3  HIS  36           HB3      HIS  36  12.305 -10.448  -2.535
  257    HD1  HIS  36           HD1      HIS  36  14.543 -10.642   0.402
  258    HD2  HIS  36           HD2      HIS  36  12.355  -7.751  -1.675
  259    HE1  HIS  36           HE1      HIS  36  15.530  -8.387   1.142
  260    H    LEU  37           H        LEU  37   8.742 -10.676   0.418
  261    HA   LEU  37           HA       LEU  37  10.004 -10.086   3.082
  262    HB2  LEU  37           HB2      LEU  37   7.071  -9.904   2.376
  263    HB3  LEU  37           HB3      LEU  37   7.936  -9.290   3.796
  264    HG   LEU  37           HG       LEU  37   9.195  -7.930   1.705
  265   HD11  LEU  37          HD11      LEU  37   6.187  -8.092   1.183
  266   HD12  LEU  37          HD12      LEU  37   7.293  -6.912   0.466
  267   HD13  LEU  37          HD13      LEU  37   7.490  -8.634   0.099
  268   HD21  LEU  37          HD21      LEU  37   8.660  -6.963   3.850
  269   HD22  LEU  37          HD22      LEU  37   7.855  -6.003   2.595
  270   HD23  LEU  37          HD23      LEU  37   6.911  -7.146   3.572
  271    H    LYS  38           H        LYS  38   9.218 -10.777   4.928
  272    HA   LYS  38           HA       LYS  38   7.784 -13.288   5.094
  273    HB2  LYS  38           HB2      LYS  38   9.410 -14.414   6.464
  274    HB3  LYS  38           HB3      LYS  38  10.102 -14.110   4.888
  275    HG2  LYS  38           HG2      LYS  38  10.705 -12.005   6.939
  276    HG3  LYS  38           HG3      LYS  38  11.294 -13.626   7.338
  277    HD2  LYS  38           HD2      LYS  38  12.965 -12.212   6.202
  278    HD3  LYS  38           HD3      LYS  38  12.642 -13.731   5.347
  279    HE2  LYS  38           HE2      LYS  38  11.326 -12.620   3.656
  280    HE3  LYS  38           HE3      LYS  38  11.182 -11.171   4.620
  281    HZ1  LYS  38           HZ1      LYS  38  13.814 -12.066   3.566
  282    HZ2  LYS  38           HZ2      LYS  38  12.817 -11.003   2.816
  283    HZ3  LYS  38           HZ3      LYS  38  13.446 -10.631   4.287
  284    H    ALA  39           H        ALA  39   7.100 -13.643   7.097
  285    HA   ALA  39           HA       ALA  39   6.552 -13.426   9.348
  286    HB1  ALA  39           HB1      ALA  39   7.946 -10.718   9.425
  287    HB2  ALA  39           HB2      ALA  39   7.513 -11.760  10.783
  288    HB3  ALA  39           HB3      ALA  39   8.793 -12.268   9.665
  289    H    LEU  40           H        LEU  40   4.952 -12.453   7.030
  290    HA   LEU  40           HA       LEU  40   3.247 -10.426   8.397
  291    HB2  LEU  40           HB2      LEU  40   2.051 -11.173   5.904
  292    HB3  LEU  40           HB3      LEU  40   2.565  -9.651   6.516
  293    HG   LEU  40           HG       LEU  40   4.252 -11.756   5.023
  294   HD11  LEU  40          HD11      LEU  40   3.446  -9.118   3.747
  295   HD12  LEU  40          HD12      LEU  40   4.207 -10.560   3.029
  296   HD13  LEU  40          HD13      LEU  40   2.496 -10.586   3.572
  297   HD21  LEU  40          HD21      LEU  40   5.753 -10.118   6.231
  298   HD22  LEU  40          HD22      LEU  40   5.874 -10.206   4.460
  299   HD23  LEU  40          HD23      LEU  40   5.015  -8.839   5.228
  300    HA   PRO  41           HA       PRO  41   0.309 -13.463   9.131
  301    HB2  PRO  41           HB2      PRO  41  -2.171 -12.182   8.664
  302    HB3  PRO  41           HB3      PRO  41  -1.233 -12.101  10.183
  303    HG2  PRO  41           HG2      PRO  41  -1.243 -10.220   7.865
  304    HG3  PRO  41           HG3      PRO  41  -1.310  -9.821   9.611
  305    HD2  PRO  41           HD2      PRO  41   1.052  -9.671   8.312
  306    HD3  PRO  41           HD3      PRO  41   0.891 -10.439   9.938
  307    HA   PRO  42           HA       PRO  42   0.661 -15.030   5.270
  308    HB2  PRO  42           HB2      PRO  42   0.161 -17.588   5.661
  309    HB3  PRO  42           HB3      PRO  42   1.089 -16.699   6.906
  310    HG2  PRO  42           HG2      PRO  42  -1.903 -17.157   6.855
  311    HG3  PRO  42           HG3      PRO  42  -0.778 -17.724   8.107
  312    HD2  PRO  42           HD2      PRO  42  -1.987 -15.292   8.386
  313    HD3  PRO  42           HD3      PRO  42  -0.270 -15.522   8.850
  314    H    GLY  43           H        GLY  43  -2.030 -13.764   5.357
  315    HA2  GLY  43           HA2      GLY  43  -3.254 -15.246   3.133
  316    HA3  GLY  43           HA3      GLY  43  -4.303 -14.209   4.129
  317    H    GLU  44           H        GLU  44  -4.160 -13.864   1.629
  318    HA   GLU  44           HA       GLU  44  -2.284 -12.215   0.376
  319    HB2  GLU  44           HB2      GLU  44  -4.210 -11.778  -1.193
  320    HB3  GLU  44           HB3      GLU  44  -3.823 -13.469  -0.895
  321    HG2  GLU  44           HG2      GLU  44  -5.999 -12.168   0.776
  322    HG3  GLU  44           HG3      GLU  44  -6.269 -12.606  -0.908
  323    H    HIS  45           H        HIS  45  -1.793 -10.134   0.229
  324    HA   HIS  45           HA       HIS  45  -3.176  -8.263   2.072
  325    HB2  HIS  45           HB2      HIS  45  -0.286  -8.387   0.962
  326    HB3  HIS  45           HB3      HIS  45  -0.955  -6.987   1.822
  327    HD1  HIS  45           HD1      HIS  45  -1.910  -7.711   4.357
  328    HD2  HIS  45           HD2      HIS  45   0.261 -10.564   2.195
  329    HE1  HIS  45           HE1      HIS  45  -1.530  -9.675   5.925
  330    HE2  HIS  45           HE2      HIS  45  -0.193 -11.397   4.639
  331    H    GLY  46           H        GLY  46  -4.078  -6.361   1.466
  332    HA2  GLY  46           HA2      GLY  46  -4.293  -5.568  -1.301
  333    HA3  GLY  46           HA3      GLY  46  -4.708  -4.587   0.132
  334    H    PHE  47           H        PHE  47  -3.256  -3.836  -2.375
  335    HA   PHE  47           HA       PHE  47  -0.846  -2.629  -1.073
  336    HB2  PHE  47           HB2      PHE  47  -0.167  -4.400  -2.554
  337    HB3  PHE  47           HB3      PHE  47  -1.247  -3.830  -3.831
  338    HD1  PHE  47           HD1      PHE  47   0.505  -0.941  -2.572
  339    HD2  PHE  47           HD2      PHE  47   1.118  -4.547  -4.850
  340    HE1  PHE  47           HE1      PHE  47   2.179   0.238  -3.976
  341    HE2  PHE  47           HE2      PHE  47   2.826  -3.313  -6.277
  342    HZ   PHE  47           HZ       PHE  47   3.253  -0.934  -5.877
  343    H    HIS  48           H        HIS  48  -1.239  -0.529  -0.792
  344    HA   HIS  48           HA       HIS  48  -2.817   1.003  -2.884
  345    HB2  HIS  48           HB2      HIS  48  -2.289   1.694   0.034
  346    HB3  HIS  48           HB3      HIS  48  -3.113   2.734  -1.114
  347    HD2  HIS  48           HD2      HIS  48  -4.834  -0.220  -2.066
  348    HE1  HIS  48           HE1      HIS  48  -6.766   0.673   1.602
  349    HE2  HIS  48           HE2      HIS  48  -6.886  -0.633  -0.594
  350    H    ILE  49           H        ILE  49  -2.018   2.967  -3.657
  351    HA   ILE  49           HA       ILE  49   0.525   4.074  -2.515
  352    HB   ILE  49           HB       ILE  49  -0.948   4.752  -5.081
  353   HG12  ILE  49          HG12      ILE  49   1.972   3.930  -4.656
  354   HG13  ILE  49          HG13      ILE  49   0.696   2.718  -4.890
  355   HG21  ILE  49          HG21      ILE  49   1.473   6.159  -3.796
  356   HG22  ILE  49          HG22      ILE  49   0.854   6.485  -5.423
  357   HG23  ILE  49          HG23      ILE  49  -0.125   6.886  -4.033
  358   HD11  ILE  49          HD11      ILE  49   1.478   4.860  -6.898
  359   HD12  ILE  49          HD12      ILE  49   1.781   3.112  -6.991
  360   HD13  ILE  49          HD13      ILE  49   0.117   3.730  -7.072
  361    H    HIS  50           H        HIS  50   0.528   6.028  -1.572
  362    HA   HIS  50           HA       HIS  50  -2.082   7.214  -0.755
  363    HB2  HIS  50           HB2      HIS  50   0.332   6.477   0.932
  364    HB3  HIS  50           HB3      HIS  50  -0.721   7.818   1.363
  365    HD1  HIS  50           HD1      HIS  50  -2.395   7.274   3.048
  366    HD2  HIS  50           HD2      HIS  50  -1.606   4.088   0.457
  367    HE1  HIS  50           HE1      HIS  50  -3.987   5.377   3.779
  368    H    ALA  51           H        ALA  51  -1.904   9.521  -0.215
  369    HA   ALA  51           HA       ALA  51  -0.973  10.651  -2.642
  370    HB1  ALA  51           HB1      ALA  51  -2.160  12.045  -0.193
  371    HB2  ALA  51           HB2      ALA  51  -2.163  12.663  -1.855
  372    HB3  ALA  51           HB3      ALA  51  -3.111  11.220  -1.445
  373    H    ASN  52           H        ASN  52   0.748  10.612   0.265
  374    HA   ASN  52           HA       ASN  52   2.850  12.392  -0.870
  375    HB2  ASN  52           HB2      ASN  52   1.651  12.610   1.921
  376    HB3  ASN  52           HB3      ASN  52   3.226  13.274   1.503
  377   HD21  ASN  52          HD21      ASN  52  -0.251  13.704   1.101
  378   HD22  ASN  52          HD22      ASN  52  -0.117  15.259   0.295
  379    H    GLY  53           H        GLY  53   4.913  12.084   0.757
  380    HA2  GLY  53           HA2      GLY  53   5.256   9.116   1.151
  381    HA3  GLY  53           HA3      GLY  53   6.449  10.169   0.394
  382    H    SER  54           H        SER  54   5.137   9.038   3.378
  383    HA   SER  54           HA       SER  54   7.514   9.196   4.818
  384    HB2  SER  54           HB2      SER  54   7.309  11.640   4.849
  385    HB3  SER  54           HB3      SER  54   5.682  11.507   5.519
  386    HG   SER  54           HG       SER  54   7.337  11.925   7.060
  387    H    CYS  55           H        CYS  55   7.070   7.255   5.794
  388    HA   CYS  55           HA       CYS  55   4.566   6.344   6.622
  389    HB2  CYS  55           HB2      CYS  55   7.375   5.387   7.267
  390    HB3  CYS  55           HB3      CYS  55   5.908   4.445   7.456
  391    H    GLN  56           H        GLN  56   4.671   8.706   8.016
  392    HA   GLN  56           HA       GLN  56   5.314   8.062  10.867
  393    HB2  GLN  56           HB2      GLN  56   5.024  10.675   9.363
  394    HB3  GLN  56           HB3      GLN  56   5.177  10.590  11.110
  395    HG2  GLN  56           HG2      GLN  56   7.256   9.391   9.207
  396    HG3  GLN  56           HG3      GLN  56   7.314  11.048   9.793
  397   HE21  GLN  56          HE21      GLN  56   9.538   9.657  10.421
  398   HE22  GLN  56          HE22      GLN  56   9.487   9.387  12.164
  399    HA   PRO  57           HA       PRO  57   0.795   8.255  11.552
  400    HB2  PRO  57           HB2      PRO  57   0.715   7.558  14.167
  401    HB3  PRO  57           HB3      PRO  57   1.145   6.368  12.903
  402    HG2  PRO  57           HG2      PRO  57   3.046   8.004  14.619
  403    HG3  PRO  57           HG3      PRO  57   3.037   6.230  14.370
  404    HD2  PRO  57           HD2      PRO  57   4.640   7.874  12.910
  405    HD3  PRO  57           HD3      PRO  57   3.856   6.439  12.164
  406    H    ALA  58           H        ALA  58  -0.664   9.520  12.804
  407    HA   ALA  58           HA       ALA  58   0.500  11.672  14.498
  408    HB1  ALA  58           HB1      ALA  58  -2.073  11.757  12.850
  409    HB2  ALA  58           HB2      ALA  58  -1.537  13.006  13.992
  410    HB3  ALA  58           HB3      ALA  58  -0.585  12.680  12.538
  411    H    ILE  59           H        ILE  59  -0.456  11.884  16.528
  412    HA   ILE  59           HA       ILE  59  -2.129   9.587  17.431
  413    HB   ILE  59           HB       ILE  59  -0.612  11.366  19.319
  414   HG12  ILE  59          HG12      ILE  59   1.142  10.714  17.752
  415   HG13  ILE  59          HG13      ILE  59   1.334   9.908  19.286
  416   HG21  ILE  59          HG21      ILE  59  -1.501   8.443  19.394
  417   HG22  ILE  59          HG22      ILE  59  -0.494   9.217  20.635
  418   HG23  ILE  59          HG23      ILE  59  -2.136   9.777  20.367
  419   HD11  ILE  59          HD11      ILE  59   0.171   8.577  16.794
  420   HD12  ILE  59          HD12      ILE  59   1.833   8.424  17.377
  421   HD13  ILE  59          HD13      ILE  59   0.504   7.791  18.354
  422    H    LYS  60           H        LYS  60  -3.171  11.985  16.087
  423    HA   LYS  60           HA       LYS  60  -4.282  13.925  17.778
  424    HB2  LYS  60           HB2      LYS  60  -4.150  14.047  15.300
  425    HB3  LYS  60           HB3      LYS  60  -5.382  12.778  15.176
  426    HG2  LYS  60           HG2      LYS  60  -6.996  14.285  16.388
  427    HG3  LYS  60           HG3      LYS  60  -5.751  15.548  16.413
  428    HD2  LYS  60           HD2      LYS  60  -5.737  15.560  13.929
  429    HD3  LYS  60           HD3      LYS  60  -6.959  14.265  13.916
  430    HE2  LYS  60           HE2      LYS  60  -8.501  15.759  15.231
  431    HE3  LYS  60           HE3      LYS  60  -7.288  17.043  15.141
  432    HZ1  LYS  60           HZ1      LYS  60  -8.718  15.851  12.821
  433    HZ2  LYS  60           HZ2      LYS  60  -8.878  17.374  13.441
  434    HZ3  LYS  60           HZ3      LYS  60  -7.485  16.938  12.713
  435    H    ASP  61           H        ASP  61  -5.883  14.024  19.162
  436    HA   ASP  61           HA       ASP  61  -7.642  13.546  20.465
  437    HB2  ASP  61           HB2      ASP  61  -8.764  13.321  18.150
  438    HB3  ASP  61           HB3      ASP  61  -8.739  11.580  18.433
  439    H    GLY  62           H        GLY  62  -5.158  11.944  20.565
  440    HA2  GLY  62           HA2      GLY  62  -4.371  10.652  22.321
  441    HA3  GLY  62           HA3      GLY  62  -6.050  10.282  22.805
  442    H    GLN  63           H        GLN  63  -4.814   9.684  19.540
  443    HA   GLN  63           HA       GLN  63  -4.678   6.775  19.940
  444    HB2  GLN  63           HB2      GLN  63  -6.645   6.351  18.481
  445    HB3  GLN  63           HB3      GLN  63  -7.048   7.084  20.030
  446    HG2  GLN  63           HG2      GLN  63  -7.102   9.348  18.777
  447    HG3  GLN  63           HG3      GLN  63  -7.067   8.406  17.289
  448   HE21  GLN  63          HE21      GLN  63  -9.036   9.561  19.952
  449   HE22  GLN  63          HE22      GLN  63 -10.522   8.795  19.403
  450    H    ALA  64           H        ALA  64  -3.487   5.776  18.359
  451    HA   ALA  64           HA       ALA  64  -2.051   7.549  16.559
  452    HB1  ALA  64           HB1      ALA  64  -1.856   4.554  17.030
  453    HB2  ALA  64           HB2      ALA  64  -0.695   5.554  16.131
  454    HB3  ALA  64           HB3      ALA  64  -0.911   5.804  17.872
  455    H    VAL  65           H        VAL  65  -3.157   8.220  14.833
  456    HA   VAL  65           HA       VAL  65  -5.071   6.592  13.421
  457    HB   VAL  65           HB       VAL  65  -4.037   9.245  12.378
  458   HG11  VAL  65          HG11      VAL  65  -6.813   7.937  12.365
  459   HG12  VAL  65          HG12      VAL  65  -6.388   9.486  11.612
  460   HG13  VAL  65          HG13      VAL  65  -5.725   7.987  10.969
  461   HG21  VAL  65          HG21      VAL  65  -4.510   9.708  14.728
  462   HG22  VAL  65          HG22      VAL  65  -5.812  10.356  13.743
  463   HG23  VAL  65          HG23      VAL  65  -6.056   8.835  14.628
  464    H    ALA  66           H        ALA  66  -2.778   5.199  13.330
  465    HA   ALA  66           HA       ALA  66  -1.515   3.829  12.077
  466    HB1  ALA  66           HB1      ALA  66  -3.367   4.711   9.828
  467    HB2  ALA  66           HB2      ALA  66  -2.403   3.225   9.888
  468    HB3  ALA  66           HB3      ALA  66  -3.728   3.474  11.046
  469    H    ALA  67           H        ALA  67  -1.953   6.560   9.829
  470    HA   ALA  67           HA       ALA  67   0.810   7.327   9.718
  471    HB1  ALA  67           HB1      ALA  67  -0.269   5.808   7.316
  472    HB2  ALA  67           HB2      ALA  67   1.243   6.741   7.365
  473    HB3  ALA  67           HB3      ALA  67   1.066   5.297   8.372
  474    H    GLU  68           H        GLU  68   0.764   9.464   9.235
  475    HA   GLU  68           HA       GLU  68  -1.693  10.618   7.945
  476    HB2  GLU  68           HB2      GLU  68  -1.294  11.085  10.444
  477    HB3  GLU  68           HB3      GLU  68   0.116  12.021   9.939
  478    HG2  GLU  68           HG2      GLU  68  -1.704  13.178   8.310
  479    HG3  GLU  68           HG3      GLU  68  -2.833  12.552   9.507
  480    H    ALA  69           H        ALA  69   1.890  11.127   8.365
  481    HA   ALA  69           HA       ALA  69   1.969  13.289   6.501
  482    HB1  ALA  69           HB1      ALA  69   4.222  11.456   7.413
  483    HB2  ALA  69           HB2      ALA  69   4.388  13.092   6.742
  484    HB3  ALA  69           HB3      ALA  69   3.620  12.865   8.325
  485    H    ALA  70           H        ALA  70   1.966   9.882   5.907
  486    HA   ALA  70           HA       ALA  70   2.836   9.976   3.141
  487    HB1  ALA  70           HB1      ALA  70   1.173   7.960   4.716
  488    HB2  ALA  70           HB2      ALA  70   1.879   7.680   3.112
  489    HB3  ALA  70           HB3      ALA  70   2.942   7.913   4.512
  490    H    GLY  71           H        GLY  71  -0.025  11.213   4.595
  491    HA2  GLY  71           HA2      GLY  71  -1.888  12.130   3.494
  492    HA3  GLY  71           HA3      GLY  71  -1.405  11.358   1.983
  493    H    GLY  72           H        GLY  72  -3.964  11.277   2.497
  494    HA2  GLY  72           HA2      GLY  72  -4.767   8.647   3.604
  495    HA3  GLY  72           HA3      GLY  72  -5.797   9.814   2.747
  496    H    HIS  73           H        HIS  73  -6.612   7.946   1.602
  497    HA   HIS  73           HA       HIS  73  -5.168   6.438  -0.373
  498    HB2  HIS  73           HB2      HIS  73  -7.991   7.591  -0.385
  499    HB3  HIS  73           HB3      HIS  73  -7.374   6.540  -1.631
  500    HD2  HIS  73           HD2      HIS  73  -8.163   6.469   2.154
  501    HE1  HIS  73           HE1      HIS  73  -9.095   2.593   0.714
  502    HE2  HIS  73           HE2      HIS  73  -9.216   4.160   2.688
  503    H    LEU  74           H        LEU  74  -4.500   6.997  -2.465
  504    HA   LEU  74           HA       LEU  74  -3.864   9.723  -3.035
  505    HB2  LEU  74           HB2      LEU  74  -2.848   7.273  -3.669
  506    HB3  LEU  74           HB3      LEU  74  -3.676   7.564  -5.152
  507    HG   LEU  74           HG       LEU  74  -1.256   8.784  -3.956
  508   HD11  LEU  74          HD11      LEU  74  -1.954   8.449  -6.896
  509   HD12  LEU  74          HD12      LEU  74  -0.351   8.507  -6.115
  510   HD13  LEU  74          HD13      LEU  74  -1.415   7.094  -5.906
  511   HD21  LEU  74          HD21      LEU  74  -2.484  10.874  -4.241
  512   HD22  LEU  74          HD22      LEU  74  -1.140  10.672  -5.375
  513   HD23  LEU  74          HD23      LEU  74  -2.822  10.442  -5.939
  514    H    ASP  75           H        ASP  75  -6.244  10.417  -2.818
  515    HA   ASP  75           HA       ASP  75  -8.049   9.421  -4.919
  516    HB2  ASP  75           HB2      ASP  75  -9.657   9.439  -3.141
  517    HB3  ASP  75           HB3      ASP  75  -8.182   8.736  -2.520
  518    HA   PRO  76           HA       PRO  76  -9.057  13.932  -3.530
  519    HB2  PRO  76           HB2      PRO  76  -7.756  15.924  -4.991
  520    HB3  PRO  76           HB3      PRO  76  -7.213  15.226  -3.438
  521    HG2  PRO  76           HG2      PRO  76  -6.356  14.420  -6.231
  522    HG3  PRO  76           HG3      PRO  76  -5.325  14.743  -4.797
  523    HD2  PRO  76           HD2      PRO  76  -5.970  12.213  -5.452
  524    HD3  PRO  76           HD3      PRO  76  -6.024  12.730  -3.735
  525    H    GLN  77           H        GLN  77  -8.365  13.995  -7.089
  526    HA   GLN  77           HA       GLN  77 -11.046  15.179  -7.585
  527    HB2  GLN  77           HB2      GLN  77  -8.459  14.958  -9.139
  528    HB3  GLN  77           HB3      GLN  77  -9.961  15.295  -9.990
  529    HG2  GLN  77           HG2      GLN  77  -9.253  17.001  -7.592
  530    HG3  GLN  77           HG3      GLN  77  -8.472  17.277  -9.149
  531   HE21  GLN  77          HE21      GLN  77  -9.760  17.936 -11.007
  532   HE22  GLN  77          HE22      GLN  77 -11.395  18.535 -10.770
  533    H    ASN  78           H        ASN  78 -11.521  12.762  -6.676
  534    HA   ASN  78           HA       ASN  78 -12.416  11.251  -9.127
  535    HB2  ASN  78           HB2      ASN  78 -11.308  10.184  -6.505
  536    HB3  ASN  78           HB3      ASN  78 -12.375   9.229  -7.519
  537   HD21  ASN  78          HD21      ASN  78 -10.345  11.191  -9.536
  538   HD22  ASN  78          HD22      ASN  78  -9.203   9.899  -9.875
  539    H    THR  79           H        THR  79 -13.171  11.077  -5.683
  540    HA   THR  79           HA       THR  79 -15.633  12.144  -5.295
  541    HB   THR  79           HB       THR  79 -16.678  10.976  -7.107
  542    HG1  THR  79           HG1      THR  79 -18.319   9.977  -5.902
  543   HG21  THR  79          HG21      THR  79 -15.961   8.379  -5.712
  544   HG22  THR  79          HG22      THR  79 -17.044   8.553  -7.105
  545   HG23  THR  79          HG23      THR  79 -15.338   8.937  -7.295
  546    H    GLY  80           H        GLY  80 -13.423   9.503  -4.629
  547    HA2  GLY  80           HA2      GLY  80 -12.384   9.323  -2.570
  548    HA3  GLY  80           HA3      GLY  80 -13.696  10.253  -1.814
  549    H    LYS  81           H        LYS  81 -15.246   7.824  -3.462
  550    HA   LYS  81           HA       LYS  81 -15.603   6.260  -1.025
  551    HB2  LYS  81           HB2      LYS  81 -17.454   5.262  -2.076
  552    HB3  LYS  81           HB3      LYS  81 -17.505   6.970  -2.426
  553    HG2  LYS  81           HG2      LYS  81 -17.365   6.678  -4.669
  554    HG3  LYS  81           HG3      LYS  81 -16.150   5.414  -4.565
  555    HD2  LYS  81           HD2      LYS  81 -19.105   4.966  -4.004
  556    HD3  LYS  81           HD3      LYS  81 -18.318   4.654  -5.561
  557    HE2  LYS  81           HE2      LYS  81 -16.785   3.011  -4.497
  558    HE3  LYS  81           HE3      LYS  81 -17.489   3.353  -2.925
  559    HZ1  LYS  81           HZ1      LYS  81 -18.771   1.901  -5.160
  560    HZ2  LYS  81           HZ2      LYS  81 -18.469   1.442  -3.641
  561    HZ3  LYS  81           HZ3      LYS  81 -19.657   2.534  -3.917
  562    H    HIS  82           H        HIS  82 -13.111   5.926  -3.074
  563    HA   HIS  82           HA       HIS  82 -11.758   4.277  -3.806
  564    HB2  HIS  82           HB2      HIS  82 -11.698   3.682  -1.445
  565    HB3  HIS  82           HB3      HIS  82 -13.055   2.599  -1.650
  566    HD2  HIS  82           HD2      HIS  82 -12.683   0.220  -2.418
  567    HE1  HIS  82           HE1      HIS  82  -8.470   0.118  -2.375
  568    HE2  HIS  82           HE2      HIS  82 -10.574  -1.270  -2.495
  569    H    GLU  83           H        GLU  83 -12.027   1.572  -4.561
  570    HA   GLU  83           HA       GLU  83 -14.392   1.275  -6.188
  571    HB2  GLU  83           HB2      GLU  83 -13.385   1.582  -8.380
  572    HB3  GLU  83           HB3      GLU  83 -13.392   3.050  -7.437
  573    HG2  GLU  83           HG2      GLU  83 -10.929   2.502  -6.840
  574    HG3  GLU  83           HG3      GLU  83 -11.006   1.311  -8.142
  575    H    GLY  84           H        GLY  84 -12.988  -0.314  -8.245
  576    HA2  GLY  84           HA2      GLY  84 -11.474  -2.294  -8.139
  577    HA3  GLY  84           HA3      GLY  84 -12.235  -2.722  -6.606
  578    HA   PRO  85           HA       PRO  85 -14.996  -5.086  -9.282
  579    HB2  PRO  85           HB2      PRO  85 -17.015  -5.740  -7.566
  580    HB3  PRO  85           HB3      PRO  85 -15.362  -6.409  -7.404
  581    HG2  PRO  85           HG2      PRO  85 -16.561  -4.034  -5.935
  582    HG3  PRO  85           HG3      PRO  85 -15.696  -5.444  -5.241
  583    HD2  PRO  85           HD2      PRO  85 -14.426  -3.079  -5.761
  584    HD3  PRO  85           HD3      PRO  85 -13.605  -4.648  -6.003
  585    H    GLU  86           H        GLU  86 -15.902  -2.073  -7.843
  586    HA   GLU  86           HA       GLU  86 -17.573  -1.214  -9.967
  587    HB2  GLU  86           HB2      GLU  86 -19.626  -0.807  -8.706
  588    HB3  GLU  86           HB3      GLU  86 -19.289  -2.519  -8.815
  589    HG2  GLU  86           HG2      GLU  86 -19.663  -2.632  -6.620
  590    HG3  GLU  86           HG3      GLU  86 -18.099  -1.876  -6.370
  591    H    GLY  87           H        GLY  87 -18.048   1.124  -9.671
  592    HA2  GLY  87           HA2      GLY  87 -17.867   3.170  -8.496
  593    HA3  GLY  87           HA3      GLY  87 -16.666   2.468  -7.406
  594    H    GLN  88           H        GLN  88 -16.046   4.774  -8.071
  595    HA   GLN  88           HA       GLN  88 -13.636   4.629  -9.681
  596    HB2  GLN  88           HB2      GLN  88 -15.295   5.100 -11.416
  597    HB3  GLN  88           HB3      GLN  88 -15.929   6.464 -10.510
  598    HG2  GLN  88           HG2      GLN  88 -14.472   6.984 -12.526
  599    HG3  GLN  88           HG3      GLN  88 -14.058   7.834 -11.055
  600   HE21  GLN  88          HE21      GLN  88 -12.186   6.937  -9.772
  601   HE22  GLN  88          HE22      GLN  88 -11.035   5.879 -10.521
  602    H    GLY  89           H        GLY  89 -14.083   4.846  -6.900
  603    HA2  GLY  89           HA2      GLY  89 -13.890   7.723  -6.190
  604    HA3  GLY  89           HA3      GLY  89 -14.259   6.370  -5.099
  605    H    HIS  90           H        HIS  90 -11.563   5.562  -6.972
  606    HA   HIS  90           HA       HIS  90  -9.516   7.160  -6.030
  607    HB2  HIS  90           HB2      HIS  90  -9.872   6.412  -3.738
  608    HB3  HIS  90           HB3      HIS  90  -9.835   4.721  -4.277
  609    HD2  HIS  90           HD2      HIS  90  -7.222   7.234  -5.515
  610    HE1  HIS  90           HE1      HIS  90  -5.166   4.341  -3.183
  611    HE2  HIS  90           HE2      HIS  90  -4.925   6.347  -4.755
  612    H    LEU  91           H        LEU  91  -8.755   6.866  -8.106
  613    HA   LEU  91           HA       LEU  91  -8.461   4.374  -9.348
  614    HB2  LEU  91           HB2      LEU  91  -7.569   5.518 -11.167
  615    HB3  LEU  91           HB3      LEU  91  -8.661   6.632 -10.396
  616    HG   LEU  91           HG       LEU  91  -6.892   7.907 -11.146
  617   HD11  LEU  91          HD11      LEU  91  -6.175   7.508  -8.215
  618   HD12  LEU  91          HD12      LEU  91  -5.793   8.911  -9.225
  619   HD13  LEU  91          HD13      LEU  91  -7.478   8.542  -8.842
  620   HD21  LEU  91          HD21      LEU  91  -5.279   6.038 -11.563
  621   HD22  LEU  91          HD22      LEU  91  -4.556   7.535 -10.956
  622   HD23  LEU  91          HD23      LEU  91  -4.764   6.165  -9.864
  623    H    GLY  92           H        GLY  92  -6.409   5.446  -6.919
  624    HA2  GLY  92           HA2      GLY  92  -3.895   4.195  -7.911
  625    HA3  GLY  92           HA3      GLY  92  -4.076   5.332  -6.573
  626    H    ASP  93           H        ASP  93  -6.195   2.559  -6.723
  627    HA   ASP  93           HA       ASP  93  -4.728   1.169  -4.534
  628    HB2  ASP  93           HB2      ASP  93  -7.541   0.826  -5.637
  629    HB3  ASP  93           HB3      ASP  93  -6.835  -0.102  -4.316
  630    H    LEU  94           H        LEU  94  -4.266  -1.174  -4.821
  631    HA   LEU  94           HA       LEU  94  -3.659  -1.845  -7.667
  632    HB2  LEU  94           HB2      LEU  94  -1.651  -1.896  -5.370
  633    HB3  LEU  94           HB3      LEU  94  -1.329  -2.203  -7.037
  634    HG   LEU  94           HG       LEU  94  -2.322   0.340  -7.268
  635   HD11  LEU  94          HD11      LEU  94  -0.851   0.296  -4.626
  636   HD12  LEU  94          HD12      LEU  94  -1.310   1.735  -5.571
  637   HD13  LEU  94          HD13      LEU  94  -2.562   0.703  -4.898
  638   HD21  LEU  94          HD21      LEU  94  -0.205  -0.448  -8.207
  639   HD22  LEU  94          HD22      LEU  94   0.050   1.079  -7.359
  640   HD23  LEU  94          HD23      LEU  94   0.536  -0.448  -6.597
  641    HA   PRO  95           HA       PRO  95  -4.916  -5.886  -6.875
  642    HB2  PRO  95           HB2      PRO  95  -3.243  -7.552  -8.292
  643    HB3  PRO  95           HB3      PRO  95  -4.386  -6.405  -9.054
  644    HG2  PRO  95           HG2      PRO  95  -1.431  -6.021  -8.493
  645    HG3  PRO  95           HG3      PRO  95  -2.320  -5.702 -10.019
  646    HD2  PRO  95           HD2      PRO  95  -1.747  -3.752  -8.244
  647    HD3  PRO  95           HD3      PRO  95  -3.299  -3.735  -9.140
  648    H    VAL  96           H        VAL  96  -4.357  -8.193  -6.043
  649    HA   VAL  96           HA       VAL  96  -3.238  -7.366  -3.473
  650    HB   VAL  96           HB       VAL  96  -4.211  -9.368  -2.465
  651   HG11  VAL  96          HG11      VAL  96  -6.141  -7.606  -4.036
  652   HG12  VAL  96          HG12      VAL  96  -6.525  -8.544  -2.579
  653   HG13  VAL  96          HG13      VAL  96  -5.374  -7.202  -2.486
  654   HG21  VAL  96          HG21      VAL  96  -4.328 -10.869  -4.476
  655   HG22  VAL  96          HG22      VAL  96  -5.846 -10.719  -3.583
  656   HG23  VAL  96          HG23      VAL  96  -5.641  -9.837  -5.103
  657    H    LEU  97           H        LEU  97  -1.600  -7.913  -2.524
  658    HA   LEU  97           HA       LEU  97   0.533  -9.485  -3.711
  659    HB2  LEU  97           HB2      LEU  97   0.673  -7.155  -2.656
  660    HB3  LEU  97           HB3      LEU  97   0.347  -7.895  -1.113
  661    HG   LEU  97           HG       LEU  97   2.421  -9.316  -1.450
  662   HD11  LEU  97          HD11      LEU  97   2.748  -7.510  -3.847
  663   HD12  LEU  97          HD12      LEU  97   4.094  -8.408  -3.110
  664   HD13  LEU  97          HD13      LEU  97   2.733  -9.287  -3.814
  665   HD21  LEU  97          HD21      LEU  97   2.462  -7.380  -0.001
  666   HD22  LEU  97          HD22      LEU  97   3.987  -7.464  -0.901
  667   HD23  LEU  97          HD23      LEU  97   2.726  -6.304  -1.386
  668    H    VAL  98           H        VAL  98  -0.492 -11.529  -3.593
  669    HA   VAL  98           HA       VAL  98  -1.357 -12.946  -1.323
  670    HB   VAL  98           HB       VAL  98   0.017 -13.992  -3.822
  671   HG11  VAL  98          HG11      VAL  98  -1.671 -15.470  -1.739
  672   HG12  VAL  98          HG12      VAL  98  -1.204 -16.135  -3.320
  673   HG13  VAL  98          HG13      VAL  98   0.038 -15.781  -2.123
  674   HG21  VAL  98          HG21      VAL  98  -2.007 -12.715  -4.339
  675   HG22  VAL  98          HG22      VAL  98  -2.301 -14.435  -4.589
  676   HG23  VAL  98          HG23      VAL  98  -2.929 -13.636  -3.133
  677    H    VAL  99           H        VAL  99  -0.341 -14.323   0.154
  678    HA   VAL  99           HA       VAL  99   2.621 -14.590   0.295
  679    HB   VAL  99           HB       VAL  99   2.019 -14.952   2.891
  680   HG11  VAL  99          HG11      VAL  99   2.405 -12.119   1.899
  681   HG12  VAL  99          HG12      VAL  99   2.695 -12.754   3.542
  682   HG13  VAL  99          HG13      VAL  99   3.701 -13.277   2.230
  683   HG21  VAL  99          HG21      VAL  99  -0.408 -14.450   2.532
  684   HG22  VAL  99          HG22      VAL  99   0.370 -13.405   3.745
  685   HG23  VAL  99          HG23      VAL  99   0.027 -12.784   2.129
  686    H    ASN 100           H        ASN 100   3.214 -16.645   1.305
  687    HA   ASN 100           HA       ASN 100   1.225 -18.792   0.868
  688    HB2  ASN 100           HB2      ASN 100   2.983 -20.352   1.133
  689    HB3  ASN 100           HB3      ASN 100   3.476 -19.103   0.006
  690   HD21  ASN 100          HD21      ASN 100   3.748 -18.266   3.452
  691   HD22  ASN 100          HD22      ASN 100   5.473 -18.645   3.538
  692    H    ASN 101           H        ASN 101   0.815 -20.443   2.588
  693    HA   ASN 101           HA       ASN 101  -0.355 -19.426   4.778
  694    HB2  ASN 101           HB2      ASN 101  -1.131 -21.465   5.030
  695    HB3  ASN 101           HB3      ASN 101  -0.098 -21.962   3.697
  696   HD21  ASN 101          HD21      ASN 101   2.274 -22.519   4.441
  697   HD22  ASN 101          HD22      ASN 101   2.460 -23.196   6.036
  698    H    ASP 102           H        ASP 102   3.061 -19.954   4.756
  699    HA   ASP 102           HA       ASP 102   3.348 -19.708   7.696
  700    HB2  ASP 102           HB2      ASP 102   5.394 -20.117   5.486
  701    HB3  ASP 102           HB3      ASP 102   5.790 -19.996   7.200
  702    H    GLY 103           H        GLY 103   2.893 -17.420   5.332
  703    HA2  GLY 103           HA2      GLY 103   2.873 -15.124   5.707
  704    HA3  GLY 103           HA3      GLY 103   3.957 -15.332   7.098
  705    H    ILE 104           H        ILE 104   4.663 -16.438   3.795
  706    HA   ILE 104           HA       ILE 104   6.825 -14.383   3.540
  707    HB   ILE 104           HB       ILE 104   6.862 -17.261   2.526
  708   HG12  ILE 104          HG12      ILE 104   8.514 -16.040   4.784
  709   HG13  ILE 104          HG13      ILE 104   7.133 -17.097   5.031
  710   HG21  ILE 104          HG21      ILE 104   9.115 -15.214   2.481
  711   HG22  ILE 104          HG22      ILE 104   9.151 -16.860   1.823
  712   HG23  ILE 104          HG23      ILE 104   8.122 -15.660   1.073
  713   HD11  ILE 104          HD11      ILE 104   9.767 -17.880   3.746
  714   HD12  ILE 104          HD12      ILE 104   9.090 -18.425   5.286
  715   HD13  ILE 104          HD13      ILE 104   8.314 -18.912   3.766
  716    H    ALA 105           H        ALA 105   6.936 -13.269   1.709
  717    HA   ALA 105           HA       ALA 105   4.834 -13.731  -0.372
  718    HB1  ALA 105           HB1      ALA 105   6.172 -11.136   0.526
  719    HB2  ALA 105           HB2      ALA 105   4.987 -11.300  -0.789
  720    HB3  ALA 105           HB3      ALA 105   4.503 -11.623   0.877
  721    H    THR 106           H        THR 106   5.832 -14.840  -1.911
  722    HA   THR 106           HA       THR 106   8.154 -13.592  -3.313
  723    HB   THR 106           HB       THR 106   8.952 -15.503  -2.048
  724    HG1  THR 106           HG1      THR 106   8.754 -15.820  -4.835
  725   HG21  THR 106          HG21      THR 106   7.045 -17.205  -3.732
  726   HG22  THR 106          HG22      THR 106   8.349 -17.808  -2.694
  727   HG23  THR 106          HG23      THR 106   6.968 -16.976  -1.972
  728    H    GLU 107           H        GLU 107   5.237 -13.363  -3.636
  729    HA   GLU 107           HA       GLU 107   4.612 -14.753  -6.170
  730    HB2  GLU 107           HB2      GLU 107   2.940 -13.113  -4.235
  731    HB3  GLU 107           HB3      GLU 107   2.322 -13.869  -5.704
  732    HG2  GLU 107           HG2      GLU 107   3.653 -15.481  -3.470
  733    HG3  GLU 107           HG3      GLU 107   1.948 -15.097  -3.477
  734    HA   PRO 108           HA       PRO 108   5.836 -10.671  -7.860
  735    HB2  PRO 108           HB2      PRO 108   6.055 -11.357 -10.507
  736    HB3  PRO 108           HB3      PRO 108   7.306 -11.744  -9.292
  737    HG2  PRO 108           HG2      PRO 108   5.107 -13.552 -10.335
  738    HG3  PRO 108           HG3      PRO 108   6.846 -13.926 -10.127
  739    HD2  PRO 108           HD2      PRO 108   4.969 -14.632  -8.275
  740    HD3  PRO 108           HD3      PRO 108   6.616 -14.133  -7.795
  741    H    VAL 109           H        VAL 109   4.468  -9.072  -8.361
  742    HA   VAL 109           HA       VAL 109   2.069  -9.562 -10.048
  743    HB   VAL 109           HB       VAL 109   0.648  -8.180  -8.630
  744   HG11  VAL 109          HG11      VAL 109   1.746 -10.525  -7.026
  745   HG12  VAL 109          HG12      VAL 109   0.141  -9.786  -6.882
  746   HG13  VAL 109          HG13      VAL 109   0.584 -10.645  -8.366
  747   HG21  VAL 109          HG21      VAL 109   2.242  -6.795  -7.431
  748   HG22  VAL 109          HG22      VAL 109   1.245  -7.671  -6.271
  749   HG23  VAL 109          HG23      VAL 109   2.906  -8.213  -6.582
  750    H    THR 110           H        THR 110   1.112  -7.223 -10.637
  751    HA   THR 110           HA       THR 110   3.284  -5.234 -11.015
  752    HB   THR 110           HB       THR 110   1.897  -6.732 -13.291
  753    HG1  THR 110           HG1      THR 110   3.797  -7.617 -13.677
  754   HG21  THR 110          HG21      THR 110   3.960  -4.478 -13.453
  755   HG22  THR 110          HG22      THR 110   3.392  -5.456 -14.816
  756   HG23  THR 110          HG23      THR 110   2.264  -4.421 -13.950
  757    H    ALA 111           H        ALA 111   2.545  -3.211 -11.445
  758    HA   ALA 111           HA       ALA 111  -0.426  -2.847 -11.521
  759    HB1  ALA 111           HB1      ALA 111   1.736  -0.992 -10.492
  760    HB2  ALA 111           HB2      ALA 111  -0.023  -0.737 -10.440
  761    HB3  ALA 111           HB3      ALA 111   0.716  -2.067  -9.515
  762    HA   PRO 112           HA       PRO 112   0.740  -1.141 -15.694
  763    HB2  PRO 112           HB2      PRO 112  -1.560  -1.885 -17.004
  764    HB3  PRO 112           HB3      PRO 112  -0.170  -2.983 -16.778
  765    HG2  PRO 112           HG2      PRO 112  -2.678  -2.786 -15.087
  766    HG3  PRO 112           HG3      PRO 112  -1.920  -4.257 -15.778
  767    HD2  PRO 112           HD2      PRO 112  -1.481  -3.520 -13.215
  768    HD3  PRO 112           HD3      PRO 112  -0.156  -4.201 -14.203
  769    H    ARG 113           H        ARG 113  -1.350  -0.418 -13.278
  770    HA   ARG 113           HA       ARG 113  -2.994   1.681 -14.468
  771    HB2  ARG 113           HB2      ARG 113  -3.605   0.210 -12.505
  772    HB3  ARG 113           HB3      ARG 113  -2.333   0.973 -11.568
  773    HG2  ARG 113           HG2      ARG 113  -4.497   1.819 -10.962
  774    HG3  ARG 113           HG3      ARG 113  -3.555   3.135 -11.654
  775    HD2  ARG 113           HD2      ARG 113  -4.885   3.256 -13.579
  776    HD3  ARG 113           HD3      ARG 113  -5.369   1.550 -13.471
  777    HE   ARG 113           HE       ARG 113  -6.344   3.030 -11.207
  778   HH11  ARG 113          HH11      ARG 113  -7.141   2.542 -14.658
  779   HH12  ARG 113          HH12      ARG 113  -8.852   2.612 -14.333
  780   HH21  ARG 113          HH21      ARG 113  -8.647   2.987 -10.928
  781   HH22  ARG 113          HH22      ARG 113  -9.641   2.920 -12.317
  782    H    LEU 114           H        LEU 114   0.227   1.388 -13.360
  783    HA   LEU 114           HA       LEU 114   0.714   4.337 -13.246
  784    HB2  LEU 114           HB2      LEU 114   2.120   2.012 -11.844
  785    HB3  LEU 114           HB3      LEU 114   2.769   3.636 -11.941
  786    HG   LEU 114           HG       LEU 114   1.896   3.302  -9.775
  787   HD11  LEU 114          HD11      LEU 114  -0.024   5.138 -11.257
  788   HD12  LEU 114          HD12      LEU 114   0.334   5.157  -9.518
  789   HD13  LEU 114          HD13      LEU 114   1.608   5.545 -10.679
  790   HD21  LEU 114          HD21      LEU 114   0.208   1.520 -10.331
  791   HD22  LEU 114          HD22      LEU 114  -0.319   2.730  -9.152
  792   HD23  LEU 114          HD23      LEU 114  -0.912   2.822 -10.807
  793    H    LYS 115           H        LYS 115   2.891   4.869 -14.087
  794    HA   LYS 115           HA       LYS 115   3.999   3.083 -16.134
  795    HB2  LYS 115           HB2      LYS 115   1.751   4.471 -16.882
  796    HB3  LYS 115           HB3      LYS 115   2.941   5.711 -17.180
  797    HG2  LYS 115           HG2      LYS 115   2.461   4.465 -19.218
  798    HG3  LYS 115           HG3      LYS 115   4.138   4.240 -18.753
  799    HD2  LYS 115           HD2      LYS 115   3.176   2.136 -19.554
  800    HD3  LYS 115           HD3      LYS 115   3.622   1.990 -17.864
  801    HE2  LYS 115           HE2      LYS 115   1.121   2.657 -17.380
  802    HE3  LYS 115           HE3      LYS 115   0.848   2.252 -19.084
  803    HZ1  LYS 115           HZ1      LYS 115   1.930   0.507 -16.966
  804    HZ2  LYS 115           HZ2      LYS 115   0.452   0.365 -17.671
  805    HZ3  LYS 115           HZ3      LYS 115   1.803   0.041 -18.553
  806    H    SER 116           H        SER 116   4.713   5.309 -13.852
  807    HA   SER 116           HA       SER 116   7.453   5.537 -14.882
  808    HB2  SER 116           HB2      SER 116   6.097   7.385 -16.094
  809    HB3  SER 116           HB3      SER 116   6.018   8.179 -14.520
  810    HG   SER 116           HG       SER 116   7.951   8.277 -16.264
  811    H    LEU 117           H        LEU 117   8.899   5.629 -13.131
  812    HA   LEU 117           HA       LEU 117   7.902   5.827 -10.447
  813    HB2  LEU 117           HB2      LEU 117  10.698   5.965 -11.623
  814    HB3  LEU 117           HB3      LEU 117  10.413   6.414  -9.961
  815    HG   LEU 117           HG       LEU 117  11.200   4.279  -9.841
  816   HD11  LEU 117          HD11      LEU 117   8.204   3.858  -9.557
  817   HD12  LEU 117          HD12      LEU 117   9.488   2.957  -8.745
  818   HD13  LEU 117          HD13      LEU 117   9.245   4.663  -8.355
  819   HD21  LEU 117          HD21      LEU 117  11.025   3.507 -12.087
  820   HD22  LEU 117          HD22      LEU 117  10.415   2.307 -10.948
  821   HD23  LEU 117          HD23      LEU 117   9.250   3.292 -11.880
  822    H    ASP 118           H        ASP 118   8.811   8.379 -12.705
  823    HA   ASP 118           HA       ASP 118   9.088  10.505 -10.862
  824    HB2  ASP 118           HB2      ASP 118   8.132  10.405 -13.743
  825    HB3  ASP 118           HB3      ASP 118   8.342  11.914 -12.854
  826    H    GLU 119           H        GLU 119   6.106   8.772 -11.602
  827    HA   GLU 119           HA       GLU 119   4.486  11.027 -10.558
  828    HB2  GLU 119           HB2      GLU 119   2.593   9.848 -11.101
  829    HB3  GLU 119           HB3      GLU 119   3.732   9.567 -12.405
  830    HG2  GLU 119           HG2      GLU 119   4.196   7.338 -10.865
  831    HG3  GLU 119           HG3      GLU 119   2.532   7.675 -10.432
  832    H    VAL 120           H        VAL 120   6.357   8.542  -9.211
  833    HA   VAL 120           HA       VAL 120   4.919   8.743  -6.611
  834    HB   VAL 120           HB       VAL 120   5.633   6.439  -6.104
  835   HG11  VAL 120          HG11      VAL 120   3.779   6.683  -8.489
  836   HG12  VAL 120          HG12      VAL 120   3.856   5.344  -7.329
  837   HG13  VAL 120          HG13      VAL 120   3.340   6.951  -6.787
  838   HG21  VAL 120          HG21      VAL 120   7.450   6.222  -7.814
  839   HG22  VAL 120          HG22      VAL 120   6.278   4.893  -7.848
  840   HG23  VAL 120          HG23      VAL 120   6.195   6.169  -9.077
  841    H    LYS 121           H        LYS 121   7.700   9.754  -7.991
  842    HA   LYS 121           HA       LYS 121   9.783   8.965  -6.310
  843    HB2  LYS 121           HB2      LYS 121  10.985  10.908  -7.259
  844    HB3  LYS 121           HB3      LYS 121  10.128   9.966  -8.475
  845    HG2  LYS 121           HG2      LYS 121   8.335  11.616  -8.575
  846    HG3  LYS 121           HG3      LYS 121   9.051  12.556  -7.265
  847    HD2  LYS 121           HD2      LYS 121  10.786  13.378  -8.599
  848    HD3  LYS 121           HD3      LYS 121  10.721  12.019  -9.719
  849    HE2  LYS 121           HE2      LYS 121   9.915  14.098 -10.769
  850    HE3  LYS 121           HE3      LYS 121   8.723  12.807 -10.765
  851    HZ1  LYS 121           HZ1      LYS 121   8.738  15.208  -9.043
  852    HZ2  LYS 121           HZ2      LYS 121   7.595  14.764 -10.141
  853    HZ3  LYS 121           HZ3      LYS 121   7.735  13.934  -8.747
  854    H    ASP 122           H        ASP 122   7.272  10.663  -5.082
  855    HA   ASP 122           HA       ASP 122   8.739  11.295  -2.646
  856    HB2  ASP 122           HB2      ASP 122   8.838  13.380  -4.168
  857    HB3  ASP 122           HB3      ASP 122   7.107  13.536  -3.903
  858    H    LYS 123           H        LYS 123   6.788   9.362  -3.496
  859    HA   LYS 123           HA       LYS 123   4.409   9.999  -1.798
  860    HB2  LYS 123           HB2      LYS 123   4.531   7.973  -4.049
  861    HB3  LYS 123           HB3      LYS 123   3.104   8.467  -3.133
  862    HG2  LYS 123           HG2      LYS 123   4.622  10.218  -5.107
  863    HG3  LYS 123           HG3      LYS 123   3.120   9.326  -5.389
  864    HD2  LYS 123           HD2      LYS 123   2.340  10.762  -3.253
  865    HD3  LYS 123           HD3      LYS 123   3.584  11.865  -3.854
  866    HE2  LYS 123           HE2      LYS 123   1.186  10.720  -5.354
  867    HE3  LYS 123           HE3      LYS 123   1.367  12.391  -4.800
  868    HZ1  LYS 123           HZ1      LYS 123   2.988  11.111  -6.966
  869    HZ2  LYS 123           HZ2      LYS 123   1.825  12.258  -7.134
  870    HZ3  LYS 123           HZ3      LYS 123   3.206  12.655  -6.398
  871    H    ALA 124           H        ALA 124   3.381   7.761  -1.036
  872    HA   ALA 124           HA       ALA 124   5.489   5.730  -0.407
  873    HB1  ALA 124           HB1      ALA 124   3.296   6.755   1.448
  874    HB2  ALA 124           HB2      ALA 124   4.346   5.356   1.776
  875    HB3  ALA 124           HB3      ALA 124   5.054   6.966   1.658
  876    H    LEU 125           H        LEU 125   4.824   3.620  -0.318
  877    HA   LEU 125           HA       LEU 125   2.017   2.986  -1.069
  878    HB2  LEU 125           HB2      LEU 125   2.811   0.917  -2.100
  879    HB3  LEU 125           HB3      LEU 125   2.997   2.427  -2.984
  880    HG   LEU 125           HG       LEU 125   5.484   2.372  -2.303
  881   HD11  LEU 125          HD11      LEU 125   4.726  -0.501  -1.605
  882   HD12  LEU 125          HD12      LEU 125   6.382   0.090  -1.863
  883   HD13  LEU 125          HD13      LEU 125   5.424   0.720  -0.518
  884   HD21  LEU 125          HD21      LEU 125   4.438   1.778  -4.546
  885   HD22  LEU 125          HD22      LEU 125   5.982   0.972  -4.203
  886   HD23  LEU 125          HD23      LEU 125   4.454   0.087  -4.015
  887    H    MET 126           H        MET 126   1.166   1.096  -0.125
  888    HA   MET 126           HA       MET 126   2.507   0.303   2.440
  889    HB2  MET 126           HB2      MET 126  -0.267   1.497   2.079
  890    HB3  MET 126           HB3      MET 126   0.253   0.643   3.540
  891    HG2  MET 126           HG2      MET 126   2.033   2.251   3.942
  892    HG3  MET 126           HG3      MET 126   1.722   3.061   2.418
  893    HE1  MET 126           HE1      MET 126   1.928   5.188   3.807
  894    HE2  MET 126           HE2      MET 126   0.786   5.717   5.060
  895    HE3  MET 126           HE3      MET 126   1.937   4.401   5.386
  896    H    ILE 127           H        ILE 127   2.330  -1.701   2.970
  897    HA   ILE 127           HA       ILE 127   0.603  -3.608   1.447
  898    HB   ILE 127           HB       ILE 127   2.910  -3.981   3.385
  899   HG12  ILE 127          HG12      ILE 127   2.476  -4.918   0.509
  900   HG13  ILE 127          HG13      ILE 127   3.319  -3.447   0.917
  901   HG21  ILE 127          HG21      ILE 127   1.166  -6.175   2.178
  902   HG22  ILE 127          HG22      ILE 127   2.608  -6.421   3.179
  903   HG23  ILE 127          HG23      ILE 127   1.171  -5.715   3.895
  904   HD11  ILE 127          HD11      ILE 127   4.222  -6.274   1.595
  905   HD12  ILE 127          HD12      ILE 127   4.970  -5.127   0.476
  906   HD13  ILE 127          HD13      ILE 127   5.007  -4.807   2.221
  907    H    HIS 128           H        HIS 128  -1.311  -3.641   2.079
  908    HA   HIS 128           HA       HIS 128  -2.188  -2.880   4.777
  909    HB2  HIS 128           HB2      HIS 128  -3.120  -2.717   1.993
  910    HB3  HIS 128           HB3      HIS 128  -4.375  -3.295   3.001
  911    HD1  HIS 128           HD1      HIS 128  -5.503  -1.452   4.570
  912    HD2  HIS 128           HD2      HIS 128  -2.138  -0.248   2.403
  913    HE1  HIS 128           HE1      HIS 128  -5.536   1.091   4.590
  914    H    VAL 129           H        VAL 129  -3.629  -4.168   6.066
  915    HA   VAL 129           HA       VAL 129  -2.411  -6.695   6.375
  916    HB   VAL 129           HB       VAL 129  -4.887  -5.587   7.719
  917   HG11  VAL 129          HG11      VAL 129  -3.333  -8.104   8.474
  918   HG12  VAL 129          HG12      VAL 129  -4.503  -7.281   9.527
  919   HG13  VAL 129          HG13      VAL 129  -5.054  -8.012   8.023
  920   HG21  VAL 129          HG21      VAL 129  -2.731  -4.412   8.133
  921   HG22  VAL 129          HG22      VAL 129  -3.319  -5.205   9.600
  922   HG23  VAL 129          HG23      VAL 129  -2.004  -5.937   8.667
  923    H    GLY 130           H        GLY 130  -5.603  -6.034   4.924
  924    HA2  GLY 130           HA2      GLY 130  -5.670  -8.867   3.931
  925    HA3  GLY 130           HA3      GLY 130  -7.136  -7.979   4.383
  926    H    GLY 131           H        GLY 131  -6.912  -9.022   1.901
  927    HA2  GLY 131           HA2      GLY 131  -6.180  -7.155  -0.142
  928    HA3  GLY 131           HA3      GLY 131  -7.283  -8.523  -0.303
  929    H    ASP 132           H        ASP 132  -7.852  -6.435  -1.756
  930    HA   ASP 132           HA       ASP 132  -8.992  -4.256  -0.121
  931    HB2  ASP 132           HB2      ASP 132  -6.675  -4.259  -1.098
  932    HB3  ASP 132           HB3      ASP 132  -7.391  -4.238  -2.705
  933    H    ASN 133           H        ASN 133 -10.555  -6.338  -2.018
  934    HA   ASN 133           HA       ASN 133 -11.728  -4.673  -4.042
  935    HB2  ASN 133           HB2      ASN 133 -13.183  -6.549  -4.491
  936    HB3  ASN 133           HB3      ASN 133 -11.546  -7.120  -4.210
  937   HD21  ASN 133          HD21      ASN 133 -14.782  -6.777  -2.628
  938   HD22  ASN 133          HD22      ASN 133 -14.539  -8.146  -1.566
  939    H    MET 134           H        MET 134 -12.090  -3.859  -1.027
  940    HA   MET 134           HA       MET 134 -15.004  -3.931  -0.629
  941    HB2  MET 134           HB2      MET 134 -12.683  -2.909   1.032
  942    HB3  MET 134           HB3      MET 134 -14.376  -2.738   1.510
  943    HG2  MET 134           HG2      MET 134 -14.692  -5.190   1.348
  944    HG3  MET 134           HG3      MET 134 -12.998  -5.396   0.914
  945    HE1  MET 134           HE1      MET 134 -11.284  -3.644   2.743
  946    HE2  MET 134           HE2      MET 134 -11.039  -4.750   4.115
  947    HE3  MET 134           HE3      MET 134 -11.035  -5.382   2.458
  948    H    SER 135           H        SER 135 -15.480  -2.735  -2.568
  949    HA   SER 135           HA       SER 135 -15.182   0.197  -2.498
  950    HB2  SER 135           HB2      SER 135 -15.323  -1.290  -4.567
  951    HB3  SER 135           HB3      SER 135 -17.058  -1.432  -4.234
  952    HG   SER 135           HG       SER 135 -16.411   0.273  -5.732
  953    H    ASP 136           H        ASP 136 -17.155  -1.844  -0.640
  954    HA   ASP 136           HA       ASP 136 -19.113   0.301  -0.122
  955    HB2  ASP 136           HB2      ASP 136 -19.921  -1.166  -2.047
  956    HB3  ASP 136           HB3      ASP 136 -19.992  -2.505  -0.907
  957    H    GLN 137           H        GLN 137 -19.968   0.249   1.839
  958    HA   GLN 137           HA       GLN 137 -20.834  -1.352   3.640
  959    HB2  GLN 137           HB2      GLN 137 -19.211  -1.990   5.344
  960    HB3  GLN 137           HB3      GLN 137 -18.901  -2.774   3.829
  961    HG2  GLN 137           HG2      GLN 137 -17.171  -0.728   3.514
  962    HG3  GLN 137           HG3      GLN 137 -17.339  -0.611   5.266
  963   HE21  GLN 137          HE21      GLN 137 -16.679  -2.958   2.641
  964   HE22  GLN 137          HE22      GLN 137 -15.461  -3.861   3.569
  965    HA   PRO 138           HA       PRO 138 -21.232   2.596   5.555
  966    HB2  PRO 138           HB2      PRO 138 -22.195   2.069   8.064
  967    HB3  PRO 138           HB3      PRO 138 -23.132   1.758   6.570
  968    HG2  PRO 138           HG2      PRO 138 -21.433  -0.215   8.140
  969    HG3  PRO 138           HG3      PRO 138 -23.132  -0.411   7.596
  970    HD2  PRO 138           HD2      PRO 138 -21.100  -1.436   6.165
  971    HD3  PRO 138           HD3      PRO 138 -22.479  -0.667   5.336
  972    H    LYS 139           H        LYS 139 -18.813   0.462   6.871
  973    HA   LYS 139           HA       LYS 139 -17.650   2.561   8.585
  974    HB2  LYS 139           HB2      LYS 139 -16.685  -0.168   7.690
  975    HB3  LYS 139           HB3      LYS 139 -15.653   0.939   8.579
  976    HG2  LYS 139           HG2      LYS 139 -18.345   0.440   9.812
  977    HG3  LYS 139           HG3      LYS 139 -17.287  -0.955   9.708
  978    HD2  LYS 139           HD2      LYS 139 -17.091   0.142  11.869
  979    HD3  LYS 139           HD3      LYS 139 -15.553   0.141  11.004
  980    HE2  LYS 139           HE2      LYS 139 -15.820   2.500  10.407
  981    HE3  LYS 139           HE3      LYS 139 -17.458   2.524  11.076
  982    HZ1  LYS 139           HZ1      LYS 139 -15.024   2.029  12.718
  983    HZ2  LYS 139           HZ2      LYS 139 -15.801   3.482  12.589
  984    HZ3  LYS 139           HZ3      LYS 139 -16.551   2.194  13.268
  985    HA   PRO 140           HA       PRO 140 -16.480   4.440   4.735
  986    HB2  PRO 140           HB2      PRO 140 -15.237   6.731   5.606
  987    HB3  PRO 140           HB3      PRO 140 -16.996   6.443   5.744
  988    HG2  PRO 140           HG2      PRO 140 -14.867   5.979   7.858
  989    HG3  PRO 140           HG3      PRO 140 -16.416   6.876   8.021
  990    HD2  PRO 140           HD2      PRO 140 -16.202   4.290   8.797
  991    HD3  PRO 140           HD3      PRO 140 -17.683   4.886   7.987
  992    H    LEU 141           H        LEU 141 -14.529   5.473   3.660
  993    HA   LEU 141           HA       LEU 141 -12.489   5.297   2.712
  994    HB2  LEU 141           HB2      LEU 141 -11.478   4.505   5.471
  995    HB3  LEU 141           HB3      LEU 141 -10.518   5.117   4.137
  996    HG   LEU 141           HG       LEU 141 -12.644   6.690   5.652
  997   HD11  LEU 141          HD11      LEU 141  -9.604   6.928   5.596
  998   HD12  LEU 141          HD12      LEU 141 -10.725   7.983   6.486
  999   HD13  LEU 141          HD13      LEU 141 -10.578   6.276   6.933
 1000   HD21  LEU 141          HD21      LEU 141 -12.594   7.482   3.333
 1001   HD22  LEU 141          HD22      LEU 141 -11.765   8.650   4.363
 1002   HD23  LEU 141          HD23      LEU 141 -10.816   7.538   3.355
 1003    H    GLY 142           H        GLY 142 -14.180   2.704   3.257
 1004    HA2  GLY 142           HA2      GLY 142 -14.090   0.789   1.870
 1005    HA3  GLY 142           HA3      GLY 142 -12.325   0.942   1.740
 1006    H    GLY 143           H        GLY 143 -13.312   1.236   4.995
 1007    HA2  GLY 143           HA2      GLY 143 -13.472  -0.206   6.793
 1008    HA3  GLY 143           HA3      GLY 143 -13.693  -1.545   5.648
 1009    H    GLY 144           H        GLY 144 -11.391  -1.743   4.320
 1010    HA2  GLY 144           HA2      GLY 144  -9.642  -3.064   6.187
 1011    HA3  GLY 144           HA3      GLY 144  -9.412  -2.921   4.429
 1012    H    GLY 145           H        GLY 145  -9.511  -0.417   6.988
 1013    HA2  GLY 145           HA2      GLY 145  -7.390   1.117   5.826
 1014    HA3  GLY 145           HA3      GLY 145  -8.106   1.363   7.432
 1015    H    THR 146           H        THR 146  -7.123  -1.655   7.879
 1016    HA   THR 146           HA       THR 146  -4.881  -0.890   9.470
 1017    HB   THR 146           HB       THR 146  -4.728  -3.456   9.774
 1018    HG1  THR 146           HG1      THR 146  -6.740  -4.434   9.141
 1019   HG21  THR 146          HG21      THR 146  -7.328  -1.997  10.440
 1020   HG22  THR 146          HG22      THR 146  -6.706  -3.456  11.238
 1021   HG23  THR 146          HG23      THR 146  -5.827  -1.928  11.387
 1022    H    ARG 147           H        ARG 147  -2.851  -0.778   9.104
 1023    HA   ARG 147           HA       ARG 147  -1.618  -1.600   6.533
 1024    HB2  ARG 147           HB2      ARG 147  -0.262  -0.185   8.834
 1025    HB3  ARG 147           HB3      ARG 147   0.183  -0.173   7.134
 1026    HG2  ARG 147           HG2      ARG 147  -2.100   1.325   8.487
 1027    HG3  ARG 147           HG3      ARG 147  -0.589   1.980   7.871
 1028    HD2  ARG 147           HD2      ARG 147  -1.401   1.101   5.551
 1029    HD3  ARG 147           HD3      ARG 147  -2.994   1.015   6.312
 1030    HE   ARG 147           HE       ARG 147  -1.432   3.375   5.565
 1031   HH11  ARG 147          HH11      ARG 147  -4.308   2.415   7.437
 1032   HH12  ARG 147          HH12      ARG 147  -4.732   4.071   7.762
 1033   HH21  ARG 147          HH21      ARG 147  -2.081   5.469   6.023
 1034   HH22  ARG 147          HH22      ARG 147  -3.576   5.749   6.869
 1035    H    TYR 148           H        TYR 148   0.186  -3.081   6.499
 1036    HA   TYR 148           HA       TYR 148   1.076  -4.141   9.164
 1037    HB2  TYR 148           HB2      TYR 148   0.013  -5.833   7.517
 1038    HB3  TYR 148           HB3      TYR 148   1.501  -5.736   6.594
 1039    HD1  TYR 148           HD1      TYR 148   0.116  -6.424   9.997
 1040    HD2  TYR 148           HD2      TYR 148   3.473  -6.894   7.327
 1041    HE1  TYR 148           HE1      TYR 148   1.160  -8.033  11.589
 1042    HE2  TYR 148           HE2      TYR 148   4.511  -8.498   8.918
 1043    HH   TYR 148           HH       TYR 148   4.204  -9.753  10.844
 1044    H    ALA 149           H        ALA 149   2.179  -3.041   5.921
 1045    HA   ALA 149           HA       ALA 149   4.643  -2.056   7.230
 1046    HB1  ALA 149           HB1      ALA 149   4.714  -3.813   4.739
 1047    HB2  ALA 149           HB2      ALA 149   6.098  -3.036   5.525
 1048    HB3  ALA 149           HB3      ALA 149   5.214  -4.316   6.368
 1049    H    CYS 150           H        CYS 150   5.582  -0.275   6.326
 1050    HA   CYS 150           HA       CYS 150   4.133   1.064   4.086
 1051    HB2  CYS 150           HB2      CYS 150   3.754   2.158   6.257
 1052    HB3  CYS 150           HB3      CYS 150   5.497   2.335   6.475
 1053    H    GLY 151           H        GLY 151   5.275   2.031   2.597
 1054    HA2  GLY 151           HA2      GLY 151   8.221   1.522   2.264
 1055    HA3  GLY 151           HA3      GLY 151   6.991   1.165   1.064
 1056    H    VAL 152           H        VAL 152   8.100   4.014   2.904
 1057    HA   VAL 152           HA       VAL 152   7.247   5.935   0.979
 1058    HB   VAL 152           HB       VAL 152   7.997   6.598   3.180
 1059   HG11  VAL 152          HG11      VAL 152  10.859   6.028   2.297
 1060   HG12  VAL 152          HG12      VAL 152  10.339   6.771   3.820
 1061   HG13  VAL 152          HG13      VAL 152   9.940   5.080   3.489
 1062   HG21  VAL 152          HG21      VAL 152   7.978   8.227   1.303
 1063   HG22  VAL 152          HG22      VAL 152   9.137   8.633   2.582
 1064   HG23  VAL 152          HG23      VAL 152   9.714   7.935   1.057
 1065    H    ILE 153           H        ILE 153   8.086   6.757  -0.914
 1066    HA   ILE 153           HA       ILE 153  10.003   4.931  -2.303
 1067    HB   ILE 153           HB       ILE 153   7.828   6.750  -3.389
 1068   HG12  ILE 153          HG12      ILE 153   7.663   3.715  -3.240
 1069   HG13  ILE 153          HG13      ILE 153   6.978   4.746  -2.008
 1070   HG21  ILE 153          HG21      ILE 153   9.492   4.584  -4.758
 1071   HG22  ILE 153          HG22      ILE 153   8.132   5.436  -5.513
 1072   HG23  ILE 153          HG23      ILE 153   9.570   6.334  -5.072
 1073   HD11  ILE 153          HD11      ILE 153   6.127   4.574  -4.898
 1074   HD12  ILE 153          HD12      ILE 153   5.177   4.248  -3.446
 1075   HD13  ILE 153          HD13      ILE 153   5.632   5.909  -3.817
 1076    H    LYS 154           H        LYS 154  11.751   5.728  -3.467
 1077    HA   LYS 154           HA       LYS 154  12.215   8.696  -3.459
 1078    HB2  LYS 154           HB2      LYS 154  14.272   6.461  -3.173
 1079    HB3  LYS 154           HB3      LYS 154  14.606   8.189  -3.177
 1080    HG2  LYS 154           HG2      LYS 154  13.046   6.685  -1.019
 1081    HG3  LYS 154           HG3      LYS 154  14.733   7.168  -0.941
 1082    HD2  LYS 154           HD2      LYS 154  14.054   9.565  -1.088
 1083    HD3  LYS 154           HD3      LYS 154  12.343   9.070  -1.028
 1084    HE2  LYS 154           HE2      LYS 154  12.620   8.073   1.162
 1085    HE3  LYS 154           HE3      LYS 154  14.381   8.170   1.041
 1086    HZ1  LYS 154           HZ1      LYS 154  12.525  10.427   1.455
 1087    HZ2  LYS 154           HZ2      LYS 154  13.710   9.888   2.452
 1088    HZ3  LYS 154           HZ3      LYS 154  14.102  10.644   1.037
  Start of MODEL   30
    1    H1   ALA   1           H1       ALA   1  12.224   2.422 -15.240
    2    H2   ALA   1           H2       ALA   1  12.765   3.933 -15.644
    3    H3   ALA   1           H3       ALA   1  11.363   3.753 -14.807
    4    HA   ALA   1           HA       ALA   1  14.094   3.297 -13.870
    5    HB1  ALA   1           HB1      ALA   1  11.832   5.013 -12.769
    6    HB2  ALA   1           HB2      ALA   1  13.487   4.916 -12.120
    7    HB3  ALA   1           HB3      ALA   1  13.197   5.601 -13.728
    8    H    SER   2           H        SER   2  13.699   3.006 -11.141
    9    HA   SER   2           HA       SER   2  11.983   0.667 -10.629
   10    HB2  SER   2           HB2      SER   2  14.962   0.312 -10.442
   11    HB3  SER   2           HB3      SER   2  13.702  -0.913 -10.293
   12    HG   SER   2           HG       SER   2  13.432  -0.839 -12.576
   13    H    GLU   3           H        GLU   3  11.879   0.156  -8.391
   14    HA   GLU   3           HA       GLU   3  13.721   1.451  -6.530
   15    HB2  GLU   3           HB2      GLU   3  11.974   3.224  -6.948
   16    HB3  GLU   3           HB3      GLU   3  10.755   2.104  -6.310
   17    HG2  GLU   3           HG2      GLU   3  11.368   3.555  -4.523
   18    HG3  GLU   3           HG3      GLU   3  12.148   2.011  -4.145
   19    H    LYS   4           H        LYS   4  14.194   0.039  -5.018
   20    HA   LYS   4           HA       LYS   4  12.300  -2.154  -4.380
   21    HB2  LYS   4           HB2      LYS   4  14.179  -3.291  -3.319
   22    HB3  LYS   4           HB3      LYS   4  14.427  -2.939  -5.027
   23    HG2  LYS   4           HG2      LYS   4  15.974  -1.108  -4.492
   24    HG3  LYS   4           HG3      LYS   4  15.667  -1.307  -2.766
   25    HD2  LYS   4           HD2      LYS   4  17.746  -2.375  -3.233
   26    HD3  LYS   4           HD3      LYS   4  16.558  -3.642  -2.892
   27    HE2  LYS   4           HE2      LYS   4  16.254  -3.916  -5.402
   28    HE3  LYS   4           HE3      LYS   4  17.568  -2.752  -5.637
   29    HZ1  LYS   4           HZ1      LYS   4  17.750  -5.401  -4.313
   30    HZ2  LYS   4           HZ2      LYS   4  18.415  -4.970  -5.745
   31    HZ3  LYS   4           HZ3      LYS   4  19.001  -4.319  -4.363
   32    H    VAL   5           H        VAL   5  10.718  -1.074  -3.257
   33    HA   VAL   5           HA       VAL   5  11.438   0.714  -1.115
   34    HB   VAL   5           HB       VAL   5   8.791  -0.475  -1.986
   35   HG11  VAL   5          HG11      VAL   5   9.289   1.661   0.137
   36   HG12  VAL   5          HG12      VAL   5   7.712   1.299  -0.606
   37   HG13  VAL   5          HG13      VAL   5   8.512   0.079   0.388
   38   HG21  VAL   5          HG21      VAL   5   9.957   1.078  -3.524
   39   HG22  VAL   5          HG22      VAL   5   8.477   1.819  -2.866
   40   HG23  VAL   5          HG23      VAL   5  10.066   2.292  -2.236
   41    H    GLY   6           H        GLY   6  12.197   0.234   0.754
   42    HA2  GLY   6           HA2      GLY   6  12.078  -2.370   2.028
   43    HA3  GLY   6           HA3      GLY   6  12.856  -0.892   2.655
   44    H    MET   7           H        MET   7  10.013  -2.814   2.504
   45    HA   MET   7           HA       MET   7   8.150  -1.107   3.891
   46    HB2  MET   7           HB2      MET   7   8.299  -3.956   2.949
   47    HB3  MET   7           HB3      MET   7   6.943  -3.462   3.980
   48    HG2  MET   7           HG2      MET   7   7.685  -1.848   1.526
   49    HG3  MET   7           HG3      MET   7   6.723  -3.329   1.383
   50    HE1  MET   7           HE1      MET   7   4.969  -2.059   0.159
   51    HE2  MET   7           HE2      MET   7   4.021  -0.709   0.811
   52    HE3  MET   7           HE3      MET   7   5.718  -0.450   0.367
   53    H    ASN   8           H        ASN   8   8.039  -0.647   5.930
   54    HA   ASN   8           HA       ASN   8   9.296  -2.348   8.007
   55    HB2  ASN   8           HB2      ASN   8   9.932   0.039   7.567
   56    HB3  ASN   8           HB3      ASN   8   8.316   0.542   8.103
   57   HD21  ASN   8          HD21      ASN   8  11.514   0.025   9.002
   58   HD22  ASN   8          HD22      ASN   8  11.261  -0.126  10.740
   59    H    LEU   9           H        LEU   9   8.184  -2.970   9.865
   60    HA   LEU   9           HA       LEU   9   5.274  -3.235   9.667
   61    HB2  LEU   9           HB2      LEU   9   7.451  -4.191  11.497
   62    HB3  LEU   9           HB3      LEU   9   5.793  -4.334  12.043
   63    HG   LEU   9           HG       LEU   9   6.483  -5.428   9.324
   64   HD11  LEU   9          HD11      LEU   9   7.104  -6.865  11.952
   65   HD12  LEU   9          HD12      LEU   9   7.180  -7.580  10.324
   66   HD13  LEU   9          HD13      LEU   9   8.302  -6.282  10.781
   67   HD21  LEU   9          HD21      LEU   9   4.140  -5.359  10.385
   68   HD22  LEU   9          HD22      LEU   9   4.704  -6.944   9.818
   69   HD23  LEU   9          HD23      LEU   9   4.721  -6.549  11.551
   70    H    VAL  10           H        VAL  10   5.267  -0.792   9.542
   71    HA   VAL  10           HA       VAL  10   5.358   0.755  11.969
   72    HB   VAL  10           HB       VAL  10   4.251   2.508  10.838
   73   HG11  VAL  10          HG11      VAL  10   5.868   1.153   8.641
   74   HG12  VAL  10          HG12      VAL  10   5.713   2.883   8.987
   75   HG13  VAL  10          HG13      VAL  10   6.619   1.832  10.089
   76   HG21  VAL  10          HG21      VAL  10   2.340   1.408   9.780
   77   HG22  VAL  10          HG22      VAL  10   3.239   2.318   8.584
   78   HG23  VAL  10          HG23      VAL  10   3.412   0.544   8.656
   79    H    THR  11           H        THR  11   3.830   1.198  13.502
   80    HA   THR  11           HA       THR  11   1.055   0.297  13.340
   81    HB   THR  11           HB       THR  11   1.944  -1.879  13.461
   82    HG1  THR  11           HG1      THR  11   1.053  -1.002  15.986
   83   HG21  THR  11          HG21      THR  11   3.434  -1.087  16.019
   84   HG22  THR  11          HG22      THR  11   3.272  -2.719  15.341
   85   HG23  THR  11          HG23      THR  11   4.180  -1.487  14.462
   86    H    ALA  12           H        ALA  12   1.432   2.658  13.759
   87    HA   ALA  12           HA       ALA  12   0.740   4.443  14.978
   88    HB1  ALA  12           HB1      ALA  12  -0.076   2.427  17.110
   89    HB2  ALA  12           HB2      ALA  12  -0.676   4.079  16.892
   90    HB3  ALA  12           HB3      ALA  12  -1.034   2.849  15.671
   91    H    GLN  13           H        GLN  13   2.948   2.361  16.675
   92    HA   GLN  13           HA       GLN  13   3.969   4.099  18.706
   93    HB2  GLN  13           HB2      GLN  13   5.119   1.868  16.987
   94    HB3  GLN  13           HB3      GLN  13   6.013   2.612  18.322
   95    HG2  GLN  13           HG2      GLN  13   4.306   0.338  18.311
   96    HG3  GLN  13           HG3      GLN  13   5.327   0.971  19.611
   97   HE21  GLN  13          HE21      GLN  13   2.052   1.131  18.165
   98   HE22  GLN  13          HE22      GLN  13   1.389   1.946  19.588
   99    H    GLY  14           H        GLY  14   4.233   4.295  15.291
  100    HA2  GLY  14           HA2      GLY  14   5.493   6.248  14.243
  101    HA3  GLY  14           HA3      GLY  14   6.846   5.715  15.274
  102    H    VAL  15           H        VAL  15   7.687   5.595  12.890
  103    HA   VAL  15           HA       VAL  15   7.499   3.074  11.561
  104    HB   VAL  15           HB       VAL  15   9.918   4.859  12.041
  105   HG11  VAL  15          HG11      VAL  15   9.543   2.596  10.024
  106   HG12  VAL  15          HG12      VAL  15  10.905   3.736  10.044
  107   HG13  VAL  15          HG13      VAL  15  10.694   2.609  11.383
  108   HG21  VAL  15          HG21      VAL  15   8.131   6.017  10.799
  109   HG22  VAL  15          HG22      VAL  15   9.485   5.652   9.727
  110   HG23  VAL  15          HG23      VAL  15   8.014   4.657   9.664
  111    H    GLY  16           H        GLY  16   8.394   1.077  11.996
  112    HA2  GLY  16           HA2      GLY  16   9.504   0.551  14.742
  113    HA3  GLY  16           HA3      GLY  16   8.452  -0.542  13.804
  114    H    GLN  17           H        GLN  17   9.579  -2.252  13.174
  115    HA   GLN  17           HA       GLN  17  12.320  -1.944  12.065
  116    HB2  GLN  17           HB2      GLN  17  13.033  -3.900  13.073
  117    HB3  GLN  17           HB3      GLN  17  12.187  -3.049  14.351
  118    HG2  GLN  17           HG2      GLN  17  11.130  -5.434  12.756
  119    HG3  GLN  17           HG3      GLN  17  11.802  -5.453  14.397
  120   HE21  GLN  17          HE21      GLN  17   9.055  -4.122  12.500
  121   HE22  GLN  17          HE22      GLN  17   7.974  -4.126  13.908
  122    H    SER  18           H        SER  18  12.881  -3.748  10.533
  123    HA   SER  18           HA       SER  18  10.542  -4.185   8.719
  124    HB2  SER  18           HB2      SER  18  11.457  -2.287   7.837
  125    HB3  SER  18           HB3      SER  18  13.064  -2.621   8.491
  126    HG   SER  18           HG       SER  18  13.219  -2.790   6.352
  127    H    ILE  19           H        ILE  19  10.871  -5.673   6.978
  128    HA   ILE  19           HA       ILE  19  12.493  -8.059   7.747
  129    HB   ILE  19           HB       ILE  19  10.541  -9.477   7.757
  130   HG12  ILE  19          HG12      ILE  19   8.943  -8.448   6.345
  131   HG13  ILE  19          HG13      ILE  19   8.250  -8.659   7.956
  132   HG21  ILE  19          HG21      ILE  19  10.232  -7.225   9.764
  133   HG22  ILE  19          HG22      ILE  19   9.640  -8.888   9.919
  134   HG23  ILE  19          HG23      ILE  19  11.380  -8.572   9.859
  135   HD11  ILE  19          HD11      ILE  19   9.053  -6.068   6.600
  136   HD12  ILE  19          HD12      ILE  19   7.455  -6.588   7.134
  137   HD13  ILE  19          HD13      ILE  19   8.685  -6.165   8.339
  138    H    GLY  20           H        GLY  20  11.974  -6.126   5.268
  139    HA2  GLY  20           HA2      GLY  20  13.127  -7.511   3.255
  140    HA3  GLY  20           HA3      GLY  20  11.461  -8.076   3.127
  141    H    THR  21           H        THR  21  12.368  -6.848   0.938
  142    HA   THR  21           HA       THR  21  11.077  -4.150   0.984
  143    HB   THR  21           HB       THR  21  12.234  -3.467  -0.893
  144    HG1  THR  21           HG1      THR  21  13.097  -6.140  -1.224
  145   HG21  THR  21          HG21      THR  21  14.377  -5.095   0.516
  146   HG22  THR  21          HG22      THR  21  14.578  -3.628  -0.461
  147   HG23  THR  21          HG23      THR  21  13.748  -3.539   1.100
  148    H    VAL  22           H        VAL  22   9.955  -3.709  -1.098
  149    HA   VAL  22           HA       VAL  22   9.182  -6.140  -2.590
  150    HB   VAL  22           HB       VAL  22   7.271  -3.772  -2.350
  151   HG11  VAL  22          HG11      VAL  22   7.100  -6.537  -3.627
  152   HG12  VAL  22          HG12      VAL  22   5.757  -5.440  -3.524
  153   HG13  VAL  22          HG13      VAL  22   7.169  -4.999  -4.508
  154   HG21  VAL  22          HG21      VAL  22   7.231  -5.019  -0.217
  155   HG22  VAL  22          HG22      VAL  22   5.755  -5.326  -1.140
  156   HG23  VAL  22          HG23      VAL  22   7.050  -6.548  -1.113
  157    H    VAL  23           H        VAL  23   9.940  -5.987  -4.610
  158    HA   VAL  23           HA       VAL  23  11.191  -3.416  -5.343
  159    HB   VAL  23           HB       VAL  23  12.531  -5.367  -5.408
  160   HG11  VAL  23          HG11      VAL  23  10.982  -6.405  -7.741
  161   HG12  VAL  23          HG12      VAL  23  12.594  -6.949  -7.242
  162   HG13  VAL  23          HG13      VAL  23  11.262  -7.160  -6.126
  163   HG21  VAL  23          HG21      VAL  23  12.987  -3.306  -6.809
  164   HG22  VAL  23          HG22      VAL  23  13.723  -4.779  -7.463
  165   HG23  VAL  23          HG23      VAL  23  12.234  -4.133  -8.183
  166    H    ILE  24           H        ILE  24  10.376  -1.978  -6.560
  167    HA   ILE  24           HA       ILE  24   8.110  -2.618  -8.384
  168    HB   ILE  24           HB       ILE  24   9.189   0.102  -7.653
  169   HG12  ILE  24          HG12      ILE  24   6.612  -0.670  -6.354
  170   HG13  ILE  24          HG13      ILE  24   7.974  -1.367  -5.591
  171   HG21  ILE  24          HG21      ILE  24   6.515  -0.856  -8.758
  172   HG22  ILE  24          HG22      ILE  24   6.941   0.842  -8.434
  173   HG23  ILE  24          HG23      ILE  24   7.786  -0.060  -9.695
  174   HD11  ILE  24          HD11      ILE  24   7.473   0.770  -4.645
  175   HD12  ILE  24          HD12      ILE  24   9.015   0.903  -5.512
  176   HD13  ILE  24          HD13      ILE  24   7.537   1.570  -6.240
  177    H    ASP  25           H        ASP  25   8.585  -2.831 -10.489
  178    HA   ASP  25           HA       ASP  25  10.759  -1.146 -11.650
  179    HB2  ASP  25           HB2      ASP  25  11.514  -3.438 -11.390
  180    HB3  ASP  25           HB3      ASP  25  10.140  -4.037 -12.360
  181    H    GLU  26           H        GLU  26  10.094   0.126 -13.228
  182    HA   GLU  26           HA       GLU  26   7.350   0.410 -13.810
  183    HB2  GLU  26           HB2      GLU  26   9.305   2.058 -13.362
  184    HB3  GLU  26           HB3      GLU  26   9.875   1.647 -14.997
  185    HG2  GLU  26           HG2      GLU  26   7.474   2.286 -15.589
  186    HG3  GLU  26           HG3      GLU  26   7.432   3.129 -14.058
  187    H    THR  27           H        THR  27   6.168  -0.218 -15.723
  188    HA   THR  27           HA       THR  27   7.638  -0.526 -18.245
  189    HB   THR  27           HB       THR  27   7.989  -2.695 -17.142
  190    HG1  THR  27           HG1      THR  27   8.116  -2.961 -19.145
  191   HG21  THR  27          HG21      THR  27   4.962  -2.977 -17.257
  192   HG22  THR  27          HG22      THR  27   6.105  -4.335 -17.104
  193   HG23  THR  27          HG23      THR  27   6.034  -3.108 -15.840
  194    H    GLU  28           H        GLU  28   5.805  -1.582 -19.856
  195    HA   GLU  28           HA       GLU  28   3.960   0.639 -20.187
  196    HB2  GLU  28           HB2      GLU  28   4.918  -0.434 -22.119
  197    HB3  GLU  28           HB3      GLU  28   4.266  -2.013 -21.624
  198    HG2  GLU  28           HG2      GLU  28   1.969  -1.225 -22.049
  199    HG3  GLU  28           HG3      GLU  28   2.552   0.422 -22.332
  200    H    GLY  29           H        GLY  29   3.638  -2.602 -18.857
  201    HA2  GLY  29           HA2      GLY  29   0.779  -2.208 -18.239
  202    HA3  GLY  29           HA3      GLY  29   1.779  -3.616 -17.745
  203    H    GLY  30           H        GLY  30   3.135  -0.577 -17.218
  204    HA2  GLY  30           HA2      GLY  30   3.317   0.931 -15.471
  205    HA3  GLY  30           HA3      GLY  30   1.992   0.125 -14.658
  206    H    LEU  31           H        LEU  31   2.671   0.015 -12.704
  207    HA   LEU  31           HA       LEU  31   5.468  -0.515 -12.048
  208    HB2  LEU  31           HB2      LEU  31   2.997  -0.072 -10.320
  209    HB3  LEU  31           HB3      LEU  31   4.660  -0.105  -9.720
  210    HG   LEU  31           HG       LEU  31   3.456   1.939 -11.641
  211   HD11  LEU  31          HD11      LEU  31   4.444   2.231  -8.772
  212   HD12  LEU  31          HD12      LEU  31   3.776   3.530  -9.792
  213   HD13  LEU  31          HD13      LEU  31   2.745   2.182  -9.295
  214   HD21  LEU  31          HD21      LEU  31   5.796   1.669 -12.264
  215   HD22  LEU  31          HD22      LEU  31   5.614   3.172 -11.361
  216   HD23  LEU  31          HD23      LEU  31   6.288   1.742 -10.556
  217    H    LYS  32           H        LYS  32   6.172  -2.539 -12.424
  218    HA   LYS  32           HA       LYS  32   4.704  -4.931 -11.609
  219    HB2  LYS  32           HB2      LYS  32   6.363  -4.680 -13.588
  220    HB3  LYS  32           HB3      LYS  32   7.642  -4.744 -12.377
  221    HG2  LYS  32           HG2      LYS  32   6.355  -6.956 -11.581
  222    HG3  LYS  32           HG3      LYS  32   5.631  -6.840 -13.186
  223    HD2  LYS  32           HD2      LYS  32   7.406  -8.285 -13.501
  224    HD3  LYS  32           HD3      LYS  32   8.047  -6.741 -14.094
  225    HE2  LYS  32           HE2      LYS  32   9.188  -6.416 -11.875
  226    HE3  LYS  32           HE3      LYS  32   8.525  -7.989 -11.339
  227    HZ1  LYS  32           HZ1      LYS  32  10.600  -7.494 -13.377
  228    HZ2  LYS  32           HZ2      LYS  32  10.693  -8.463 -12.074
  229    HZ3  LYS  32           HZ3      LYS  32   9.780  -8.909 -13.359
  230    H    PHE  33           H        PHE  33   4.482  -5.359  -9.522
  231    HA   PHE  33           HA       PHE  33   6.440  -4.509  -7.495
  232    HB2  PHE  33           HB2      PHE  33   3.851  -3.939  -7.736
  233    HB3  PHE  33           HB3      PHE  33   3.614  -5.559  -7.068
  234    HD1  PHE  33           HD1      PHE  33   5.911  -2.711  -6.378
  235    HD2  PHE  33           HD2      PHE  33   2.875  -5.317  -4.853
  236    HE1  PHE  33           HE1      PHE  33   6.054  -1.549  -4.141
  237    HE2  PHE  33           HE2      PHE  33   3.005  -4.181  -2.637
  238    HZ   PHE  33           HZ       PHE  33   4.626  -2.343  -2.273
  239    H    THR  34           H        THR  34   7.861  -6.057  -6.702
  240    HA   THR  34           HA       THR  34   6.937  -8.930  -6.790
  241    HB   THR  34           HB       THR  34   9.776  -8.080  -7.255
  242    HG1  THR  34           HG1      THR  34   8.615  -7.185  -8.872
  243   HG21  THR  34          HG21      THR  34   8.215 -10.616  -7.853
  244   HG22  THR  34          HG22      THR  34   9.897 -10.303  -8.328
  245   HG23  THR  34          HG23      THR  34   9.468 -10.412  -6.612
  246    HA   PRO  35           HA       PRO  35   8.159  -8.204  -2.496
  247    HB2  PRO  35           HB2      PRO  35   6.635 -10.066  -1.261
  248    HB3  PRO  35           HB3      PRO  35   5.898  -8.637  -2.062
  249    HG2  PRO  35           HG2      PRO  35   6.250 -11.436  -3.170
  250    HG3  PRO  35           HG3      PRO  35   4.753 -10.450  -3.156
  251    HD2  PRO  35           HD2      PRO  35   6.421 -10.612  -5.323
  252    HD3  PRO  35           HD3      PRO  35   5.532  -9.110  -4.915
  253    H    HIS  36           H        HIS  36   9.409  -9.201  -0.856
  254    HA   HIS  36           HA       HIS  36  10.137 -12.049  -1.117
  255    HB2  HIS  36           HB2      HIS  36  12.443 -11.739  -1.459
  256    HB3  HIS  36           HB3      HIS  36  11.675 -10.657  -2.620
  257    HD1  HIS  36           HD1      HIS  36  14.142 -10.654   0.137
  258    HD2  HIS  36           HD2      HIS  36  11.629  -7.920  -1.792
  259    HE1  HIS  36           HE1      HIS  36  15.121  -8.341   0.687
  260    H    LEU  37           H        LEU  37   8.641 -10.475   0.844
  261    HA   LEU  37           HA       LEU  37  10.411 -10.297   3.224
  262    HB2  LEU  37           HB2      LEU  37   7.420  -9.832   3.219
  263    HB3  LEU  37           HB3      LEU  37   8.676  -9.294   4.346
  264    HG   LEU  37           HG       LEU  37   9.522  -8.024   2.078
  265   HD11  LEU  37          HD11      LEU  37   6.468  -8.111   1.929
  266   HD12  LEU  37          HD12      LEU  37   7.521  -7.008   1.034
  267   HD13  LEU  37          HD13      LEU  37   7.598  -8.747   0.711
  268   HD21  LEU  37          HD21      LEU  37   9.183  -7.039   4.313
  269   HD22  LEU  37          HD22      LEU  37   8.521  -6.032   3.028
  270   HD23  LEU  37          HD23      LEU  37   7.424  -7.002   4.040
  271    H    LYS  38           H        LYS  38  10.449 -11.487   4.897
  272    HA   LYS  38           HA       LYS  38   8.639 -13.852   5.089
  273    HB2  LYS  38           HB2      LYS  38  10.098 -14.635   6.884
  274    HB3  LYS  38           HB3      LYS  38  10.940 -14.455   5.364
  275    HG2  LYS  38           HG2      LYS  38  11.297 -11.955   6.766
  276    HG3  LYS  38           HG3      LYS  38  11.484 -13.250   7.965
  277    HD2  LYS  38           HD2      LYS  38  13.650 -12.761   7.033
  278    HD3  LYS  38           HD3      LYS  38  13.150 -14.356   6.449
  279    HE2  LYS  38           HE2      LYS  38  12.330 -13.221   4.311
  280    HE3  LYS  38           HE3      LYS  38  12.995 -11.706   4.929
  281    HZ1  LYS  38           HZ1      LYS  38  14.534 -14.192   4.361
  282    HZ2  LYS  38           HZ2      LYS  38  14.609 -12.809   3.484
  283    HZ3  LYS  38           HZ3      LYS  38  15.205 -12.857   5.018
  284    H    ALA  39           H        ALA  39   7.430 -14.150   6.859
  285    HA   ALA  39           HA       ALA  39   6.844 -14.052   9.064
  286    HB1  ALA  39           HB1      ALA  39   7.944 -11.227   9.304
  287    HB2  ALA  39           HB2      ALA  39   7.592 -12.376  10.594
  288    HB3  ALA  39           HB3      ALA  39   8.937 -12.693   9.480
  289    H    LEU  40           H        LEU  40   5.195 -13.158   6.747
  290    HA   LEU  40           HA       LEU  40   3.161 -11.609   8.281
  291    HB2  LEU  40           HB2      LEU  40   2.391 -11.636   5.489
  292    HB3  LEU  40           HB3      LEU  40   2.569 -10.411   6.673
  293    HG   LEU  40           HG       LEU  40   5.175 -10.484   5.989
  294   HD11  LEU  40          HD11      LEU  40   3.926 -12.038   3.685
  295   HD12  LEU  40          HD12      LEU  40   5.585 -11.405   3.739
  296   HD13  LEU  40          HD13      LEU  40   5.091 -12.683   4.853
  297   HD21  LEU  40          HD21      LEU  40   3.645  -8.655   5.292
  298   HD22  LEU  40          HD22      LEU  40   4.774  -9.082   3.996
  299   HD23  LEU  40          HD23      LEU  40   3.088  -9.641   3.921
  300    HA   PRO  41           HA       PRO  41   0.730 -14.969   8.176
  301    HB2  PRO  41           HB2      PRO  41  -1.935 -14.035   8.034
  302    HB3  PRO  41           HB3      PRO  41  -0.910 -13.991   9.492
  303    HG2  PRO  41           HG2      PRO  41  -1.304 -11.855   7.431
  304    HG3  PRO  41           HG3      PRO  41  -1.404 -11.693   9.216
  305    HD2  PRO  41           HD2      PRO  41   0.878 -11.021   7.986
  306    HD3  PRO  41           HD3      PRO  41   0.891 -12.058   9.460
  307    HA   PRO  42           HA       PRO  42   0.559 -15.822   3.942
  308    HB2  PRO  42           HB2      PRO  42   0.176 -18.445   3.802
  309    HB3  PRO  42           HB3      PRO  42   1.434 -17.766   4.894
  310    HG2  PRO  42           HG2      PRO  42  -1.442 -18.415   5.668
  311    HG3  PRO  42           HG3      PRO  42   0.022 -19.137   6.359
  312    HD2  PRO  42           HD2      PRO  42  -1.070 -16.930   7.510
  313    HD3  PRO  42           HD3      PRO  42   0.713 -17.067   7.349
  314    H    GLY  43           H        GLY  43  -1.623 -14.433   4.333
  315    HA2  GLY  43           HA2      GLY  43  -3.791 -15.879   2.906
  316    HA3  GLY  43           HA3      GLY  43  -4.056 -14.502   4.010
  317    H    GLU  44           H        GLU  44  -5.322 -13.727   2.281
  318    HA   GLU  44           HA       GLU  44  -4.064 -12.381  -0.024
  319    HB2  GLU  44           HB2      GLU  44  -6.875 -12.255   1.141
  320    HB3  GLU  44           HB3      GLU  44  -6.376 -11.520  -0.381
  321    HG2  GLU  44           HG2      GLU  44  -6.085 -13.637  -1.447
  322    HG3  GLU  44           HG3      GLU  44  -6.166 -14.525   0.092
  323    H    HIS  45           H        HIS  45  -3.600 -10.149  -0.094
  324    HA   HIS  45           HA       HIS  45  -4.301  -8.431   2.252
  325    HB2  HIS  45           HB2      HIS  45  -1.553  -8.836   1.001
  326    HB3  HIS  45           HB3      HIS  45  -1.898  -7.602   2.199
  327    HD1  HIS  45           HD1      HIS  45  -3.268  -9.112   4.504
  328    HD2  HIS  45           HD2      HIS  45  -0.605 -10.989   1.869
  329    HE1  HIS  45           HE1      HIS  45  -2.496 -11.244   5.677
  330    HE2  HIS  45           HE2      HIS  45  -0.759 -12.362   4.096
  331    H    GLY  46           H        GLY  46  -5.002  -6.423   1.548
  332    HA2  GLY  46           HA2      GLY  46  -4.876  -5.619  -1.146
  333    HA3  GLY  46           HA3      GLY  46  -5.175  -4.535   0.238
  334    H    PHE  47           H        PHE  47  -3.768  -3.577  -1.911
  335    HA   PHE  47           HA       PHE  47  -1.404  -2.609  -0.508
  336    HB2  PHE  47           HB2      PHE  47  -0.088  -4.161  -1.522
  337    HB3  PHE  47           HB3      PHE  47  -1.232  -4.447  -2.832
  338    HD1  PHE  47           HD1      PHE  47   1.076  -1.656  -1.711
  339    HD2  PHE  47           HD2      PHE  47  -0.401  -4.091  -4.927
  340    HE1  PHE  47           HE1      PHE  47   2.579  -0.462  -3.335
  341    HE2  PHE  47           HE2      PHE  47   1.092  -2.893  -6.530
  342    HZ   PHE  47           HZ       PHE  47   2.529  -1.044  -5.732
  343    H    HIS  48           H        HIS  48  -1.370  -0.442  -0.771
  344    HA   HIS  48           HA       HIS  48  -2.330   0.668  -3.426
  345    HB2  HIS  48           HB2      HIS  48  -2.510   2.183  -0.786
  346    HB3  HIS  48           HB3      HIS  48  -3.225   2.653  -2.320
  347    HD2  HIS  48           HD2      HIS  48  -4.914  -0.011  -2.947
  348    HE1  HIS  48           HE1      HIS  48  -6.528   0.367   0.947
  349    HE2  HIS  48           HE2      HIS  48  -6.793  -0.715  -1.340
  350    H    ILE  49           H        ILE  49  -1.673   2.851  -3.876
  351    HA   ILE  49           HA       ILE  49   0.855   3.878  -2.634
  352    HB   ILE  49           HB       ILE  49  -0.341   4.564  -5.312
  353   HG12  ILE  49          HG12      ILE  49   2.457   3.493  -4.816
  354   HG13  ILE  49          HG13      ILE  49   1.117   2.350  -4.953
  355   HG21  ILE  49          HG21      ILE  49   2.171   5.665  -3.929
  356   HG22  ILE  49          HG22      ILE  49   1.671   6.058  -5.579
  357   HG23  ILE  49          HG23      ILE  49   0.692   6.614  -4.240
  358   HD11  ILE  49          HD11      ILE  49   1.994   4.336  -7.064
  359   HD12  ILE  49          HD12      ILE  49   2.190   2.577  -7.078
  360   HD13  ILE  49          HD13      ILE  49   0.564   3.282  -7.189
  361    H    HIS  50           H        HIS  50   0.845   5.862  -1.742
  362    HA   HIS  50           HA       HIS  50  -1.783   7.192  -1.334
  363    HB2  HIS  50           HB2      HIS  50   0.428   6.585   0.666
  364    HB3  HIS  50           HB3      HIS  50  -0.764   7.853   0.910
  365    HD1  HIS  50           HD1      HIS  50  -2.356   7.097   2.654
  366    HD2  HIS  50           HD2      HIS  50  -1.388   4.102  -0.108
  367    HE1  HIS  50           HE1      HIS  50  -3.671   5.016   3.382
  368    H    ALA  51           H        ALA  51  -1.628   9.512  -0.969
  369    HA   ALA  51           HA       ALA  51  -0.291  10.524  -3.246
  370    HB1  ALA  51           HB1      ALA  51  -1.679  12.079  -1.012
  371    HB2  ALA  51           HB2      ALA  51  -1.410  12.639  -2.669
  372    HB3  ALA  51           HB3      ALA  51  -2.516  11.289  -2.370
  373    H    ASN  52           H        ASN  52   0.708  10.807   0.041
  374    HA   ASN  52           HA       ASN  52   3.076  12.493  -0.754
  375    HB2  ASN  52           HB2      ASN  52   1.946  12.178   2.032
  376    HB3  ASN  52           HB3      ASN  52   3.201  13.297   1.526
  377   HD21  ASN  52          HD21      ASN  52   0.229  13.378   2.617
  378   HD22  ASN  52          HD22      ASN  52  -0.484  14.665   1.647
  379    H    GLY  53           H        GLY  53   5.053  12.108   0.640
  380    HA2  GLY  53           HA2      GLY  53   5.582   9.185   0.868
  381    HA3  GLY  53           HA3      GLY  53   6.757  10.468   0.559
  382    H    SER  54           H        SER  54   4.507   9.451   3.246
  383    HA   SER  54           HA       SER  54   6.756   8.913   4.942
  384    HB2  SER  54           HB2      SER  54   6.842  11.385   5.125
  385    HB3  SER  54           HB3      SER  54   5.198  11.373   5.782
  386    HG   SER  54           HG       SER  54   7.297  11.222   7.168
  387    H    CYS  55           H        CYS  55   6.083   7.107   5.957
  388    HA   CYS  55           HA       CYS  55   3.485   6.415   6.676
  389    HB2  CYS  55           HB2      CYS  55   6.105   5.458   7.907
  390    HB3  CYS  55           HB3      CYS  55   4.592   4.575   7.770
  391    H    GLN  56           H        GLN  56   5.239   8.841   8.218
  392    HA   GLN  56           HA       GLN  56   5.174   7.984  10.924
  393    HB2  GLN  56           HB2      GLN  56   5.429  10.754   9.716
  394    HB3  GLN  56           HB3      GLN  56   5.566  10.455  11.445
  395    HG2  GLN  56           HG2      GLN  56   7.384   9.099   9.400
  396    HG3  GLN  56           HG3      GLN  56   7.741  10.641  10.162
  397   HE21  GLN  56          HE21      GLN  56   9.749   9.678  11.120
  398   HE22  GLN  56          HE22      GLN  56   9.547   8.635  12.504
  399    HA   PRO  57           HA       PRO  57   0.996   8.820  12.022
  400    HB2  PRO  57           HB2      PRO  57   1.077   8.738  14.754
  401    HB3  PRO  57           HB3      PRO  57   1.332   7.282  13.751
  402    HG2  PRO  57           HG2      PRO  57   3.425   9.059  15.019
  403    HG3  PRO  57           HG3      PRO  57   3.353   7.265  14.981
  404    HD2  PRO  57           HD2      PRO  57   4.861   8.759  13.227
  405    HD3  PRO  57           HD3      PRO  57   4.125   7.191  12.772
  406    H    ALA  58           H        ALA  58  -0.394  10.450  12.674
  407    HA   ALA  58           HA       ALA  58   0.773  12.941  13.856
  408    HB1  ALA  58           HB1      ALA  58  -1.897  12.504  12.439
  409    HB2  ALA  58           HB2      ALA  58  -1.303  14.038  13.111
  410    HB3  ALA  58           HB3      ALA  58  -0.464  13.299  11.736
  411    H    ILE  59           H        ILE  59  -0.025  13.621  15.854
  412    HA   ILE  59           HA       ILE  59  -1.718  11.706  17.396
  413    HB   ILE  59           HB       ILE  59  -0.393  14.256  18.382
  414   HG12  ILE  59          HG12      ILE  59   1.428  12.815  17.748
  415   HG13  ILE  59          HG13      ILE  59   1.284  12.823  19.494
  416   HG21  ILE  59          HG21      ILE  59  -1.723  11.921  19.824
  417   HG22  ILE  59          HG22      ILE  59  -0.802  13.210  20.625
  418   HG23  ILE  59          HG23      ILE  59  -2.284  13.601  19.749
  419   HD11  ILE  59          HD11      ILE  59   0.372  10.584  17.630
  420   HD12  ILE  59          HD12      ILE  59   1.782  10.574  18.697
  421   HD13  ILE  59          HD13      ILE  59   0.156  10.582  19.398
  422    H    LYS  60           H        LYS  60  -3.801  12.029  17.629
  423    HA   LYS  60           HA       LYS  60  -5.242  14.529  17.119
  424    HB2  LYS  60           HB2      LYS  60  -4.327  13.823  14.905
  425    HB3  LYS  60           HB3      LYS  60  -5.134  12.270  15.066
  426    HG2  LYS  60           HG2      LYS  60  -7.308  13.299  14.816
  427    HG3  LYS  60           HG3      LYS  60  -6.615  14.933  14.971
  428    HD2  LYS  60           HD2      LYS  60  -5.333  14.651  12.907
  429    HD3  LYS  60           HD3      LYS  60  -5.848  12.964  12.759
  430    HE2  LYS  60           HE2      LYS  60  -8.166  13.651  12.414
  431    HE3  LYS  60           HE3      LYS  60  -7.744  15.355  12.654
  432    HZ1  LYS  60           HZ1      LYS  60  -6.525  13.693  10.513
  433    HZ2  LYS  60           HZ2      LYS  60  -7.887  14.585  10.284
  434    HZ3  LYS  60           HZ3      LYS  60  -6.457  15.321  10.656
  435    H    ASP  61           H        ASP  61  -7.402  14.344  17.714
  436    HA   ASP  61           HA       ASP  61  -9.121  13.674  19.051
  437    HB2  ASP  61           HB2      ASP  61  -9.621  11.876  17.462
  438    HB3  ASP  61           HB3      ASP  61  -8.457  10.815  18.224
  439    H    GLY  62           H        GLY  62  -7.818  10.740  20.206
  440    HA2  GLY  62           HA2      GLY  62  -6.035  12.054  22.238
  441    HA3  GLY  62           HA3      GLY  62  -7.205  10.775  22.632
  442    H    GLN  63           H        GLN  63  -5.368  10.592  19.600
  443    HA   GLN  63           HA       GLN  63  -3.560   8.524  20.621
  444    HB2  GLN  63           HB2      GLN  63  -4.654   6.698  19.312
  445    HB3  GLN  63           HB3      GLN  63  -5.532   7.253  20.716
  446    HG2  GLN  63           HG2      GLN  63  -7.160   6.864  19.084
  447    HG3  GLN  63           HG3      GLN  63  -7.041   8.611  19.174
  448   HE21  GLN  63          HE21      GLN  63  -6.011   9.758  17.275
  449   HE22  GLN  63          HE22      GLN  63  -5.893   8.852  15.772
  450    H    ALA  64           H        ALA  64  -2.762   7.154  18.509
  451    HA   ALA  64           HA       ALA  64  -1.522   9.277  16.844
  452    HB1  ALA  64           HB1      ALA  64  -0.567   6.495  17.642
  453    HB2  ALA  64           HB2      ALA  64   0.356   7.679  16.707
  454    HB3  ALA  64           HB3      ALA  64  -0.069   8.026  18.389
  455    H    VAL  65           H        VAL  65  -2.419   9.475  14.896
  456    HA   VAL  65           HA       VAL  65  -3.677   7.207  13.489
  457    HB   VAL  65           HB       VAL  65  -3.361  10.081  12.538
  458   HG11  VAL  65          HG11      VAL  65  -5.220   7.823  11.617
  459   HG12  VAL  65          HG12      VAL  65  -5.217   9.487  10.993
  460   HG13  VAL  65          HG13      VAL  65  -3.831   8.430  10.700
  461   HG21  VAL  65          HG21      VAL  65  -4.685  10.028  14.605
  462   HG22  VAL  65          HG22      VAL  65  -5.723  10.365  13.217
  463   HG23  VAL  65          HG23      VAL  65  -5.714   8.740  13.933
  464    H    ALA  66           H        ALA  66  -2.016   5.846  13.038
  465    HA   ALA  66           HA       ALA  66   0.514   6.361  11.956
  466    HB1  ALA  66           HB1      ALA  66  -1.244   3.911  11.525
  467    HB2  ALA  66           HB2      ALA  66   0.526   3.980  11.375
  468    HB3  ALA  66           HB3      ALA  66  -0.248   4.222  12.959
  469    H    ALA  67           H        ALA  67   1.161   7.296  10.141
  470    HA   ALA  67           HA       ALA  67   1.305   8.066   8.072
  471    HB1  ALA  67           HB1      ALA  67  -0.204   5.590   7.175
  472    HB2  ALA  67           HB2      ALA  67   0.986   6.554   6.281
  473    HB3  ALA  67           HB3      ALA  67   1.500   5.602   7.673
  474    H    GLU  68           H        GLU  68  -0.837   9.159   9.582
  475    HA   GLU  68           HA       GLU  68  -2.928  10.092   7.810
  476    HB2  GLU  68           HB2      GLU  68  -2.914  10.594  10.214
  477    HB3  GLU  68           HB3      GLU  68  -1.367  11.408  10.064
  478    HG2  GLU  68           HG2      GLU  68  -2.972  13.106  10.290
  479    HG3  GLU  68           HG3      GLU  68  -2.498  13.155   8.604
  480    H    ALA  69           H        ALA  69   0.487  11.027   8.380
  481    HA   ALA  69           HA       ALA  69   0.642  13.282   6.756
  482    HB1  ALA  69           HB1      ALA  69   2.784  11.225   7.467
  483    HB2  ALA  69           HB2      ALA  69   3.085  12.870   6.868
  484    HB3  ALA  69           HB3      ALA  69   2.306  12.634   8.443
  485    H    ALA  70           H        ALA  70   1.147   9.891   5.840
  486    HA   ALA  70           HA       ALA  70   2.090  10.088   3.246
  487    HB1  ALA  70           HB1      ALA  70   0.166   8.054   4.462
  488    HB2  ALA  70           HB2      ALA  70   1.120   7.807   2.997
  489    HB3  ALA  70           HB3      ALA  70   1.944   7.992   4.550
  490    H    GLY  71           H        GLY  71  -1.141  11.046   4.184
  491    HA2  GLY  71           HA2      GLY  71  -2.697  12.035   2.631
  492    HA3  GLY  71           HA3      GLY  71  -1.900  11.236   1.301
  493    H    GLY  72           H        GLY  72  -4.529  11.066   1.247
  494    HA2  GLY  72           HA2      GLY  72  -5.470   8.424   2.122
  495    HA3  GLY  72           HA3      GLY  72  -6.218   9.471   0.896
  496    H    HIS  73           H        HIS  73  -6.350   7.075   0.031
  497    HA   HIS  73           HA       HIS  73  -3.995   5.808  -0.981
  498    HB2  HIS  73           HB2      HIS  73  -6.738   5.337  -2.123
  499    HB3  HIS  73           HB3      HIS  73  -5.390   4.228  -2.038
  500    HD2  HIS  73           HD2      HIS  73  -5.340   4.940   1.402
  501    HE1  HIS  73           HE1      HIS  73  -8.763   2.432   1.126
  502    HE2  HIS  73           HE2      HIS  73  -7.011   3.469   2.703
  503    H    LEU  74           H        LEU  74  -3.974   8.470  -1.998
  504    HA   LEU  74           HA       LEU  74  -3.371   9.630  -3.812
  505    HB2  LEU  74           HB2      LEU  74  -2.475   7.000  -4.177
  506    HB3  LEU  74           HB3      LEU  74  -3.126   7.324  -5.701
  507    HG   LEU  74           HG       LEU  74  -0.814   8.476  -4.217
  508   HD11  LEU  74          HD11      LEU  74  -1.041   7.943  -7.193
  509   HD12  LEU  74          HD12      LEU  74   0.405   8.012  -6.145
  510   HD13  LEU  74          HD13      LEU  74  -0.751   6.660  -6.017
  511   HD21  LEU  74          HD21      LEU  74  -1.829  10.609  -4.876
  512   HD22  LEU  74          HD22      LEU  74  -0.362  10.207  -5.778
  513   HD23  LEU  74          HD23      LEU  74  -1.961  10.021  -6.556
  514    H    ASP  75           H        ASP  75  -5.132  10.854  -3.994
  515    HA   ASP  75           HA       ASP  75  -7.039  10.543  -6.186
  516    HB2  ASP  75           HB2      ASP  75  -8.284   9.200  -4.773
  517    HB3  ASP  75           HB3      ASP  75  -7.788  10.050  -3.319
  518    HA   PRO  76           HA       PRO  76  -6.537  14.956  -5.130
  519    HB2  PRO  76           HB2      PRO  76  -6.114  15.966  -7.610
  520    HB3  PRO  76           HB3      PRO  76  -4.845  15.137  -6.669
  521    HG2  PRO  76           HG2      PRO  76  -6.522  14.014  -8.910
  522    HG3  PRO  76           HG3      PRO  76  -4.774  13.810  -8.618
  523    HD2  PRO  76           HD2      PRO  76  -6.734  11.968  -7.874
  524    HD3  PRO  76           HD3      PRO  76  -5.145  12.116  -7.071
  525    H    GLN  77           H        GLN  77  -8.405  13.992  -8.157
  526    HA   GLN  77           HA       GLN  77 -10.780  15.365  -6.966
  527    HB2  GLN  77           HB2      GLN  77 -10.034  15.546  -9.914
  528    HB3  GLN  77           HB3      GLN  77 -11.346  16.326  -9.069
  529    HG2  GLN  77           HG2      GLN  77  -9.974  18.084  -9.217
  530    HG3  GLN  77           HG3      GLN  77  -9.466  17.492  -7.647
  531   HE21  GLN  77          HE21      GLN  77  -7.610  18.966  -8.284
  532   HE22  GLN  77          HE22      GLN  77  -6.381  18.382  -9.394
  533    H    ASN  78           H        ASN  78  -9.982  12.350  -7.330
  534    HA   ASN  78           HA       ASN  78 -11.616  11.426  -9.537
  535    HB2  ASN  78           HB2      ASN  78 -10.703   9.675  -7.241
  536    HB3  ASN  78           HB3      ASN  78 -11.026   9.250  -8.908
  537   HD21  ASN  78          HD21      ASN  78  -9.282  11.648  -9.916
  538   HD22  ASN  78          HD22      ASN  78  -7.694  10.964  -9.707
  539    H    THR  79           H        THR  79 -11.976  11.408  -6.014
  540    HA   THR  79           HA       THR  79 -14.653  12.106  -5.820
  541    HB   THR  79           HB       THR  79 -15.553  10.195  -6.810
  542    HG1  THR  79           HG1      THR  79 -16.544  10.687  -4.853
  543   HG21  THR  79          HG21      THR  79 -13.913   8.353  -5.015
  544   HG22  THR  79          HG22      THR  79 -15.103   7.899  -6.238
  545   HG23  THR  79          HG23      THR  79 -13.579   8.642  -6.733
  546    H    GLY  80           H        GLY  80 -12.704   9.600  -4.165
  547    HA2  GLY  80           HA2      GLY  80 -11.701  10.300  -1.944
  548    HA3  GLY  80           HA3      GLY  80 -13.288  10.980  -1.560
  549    H    LYS  81           H        LYS  81 -14.544   8.445  -2.991
  550    HA   LYS  81           HA       LYS  81 -14.212   6.662  -0.664
  551    HB2  LYS  81           HB2      LYS  81 -16.023   5.476  -1.246
  552    HB3  LYS  81           HB3      LYS  81 -16.475   7.111  -1.677
  553    HG2  LYS  81           HG2      LYS  81 -16.424   6.640  -4.007
  554    HG3  LYS  81           HG3      LYS  81 -15.430   5.182  -3.808
  555    HD2  LYS  81           HD2      LYS  81 -17.227   4.011  -2.650
  556    HD3  LYS  81           HD3      LYS  81 -18.233   5.459  -2.674
  557    HE2  LYS  81           HE2      LYS  81 -18.219   5.355  -5.196
  558    HE3  LYS  81           HE3      LYS  81 -17.304   3.842  -5.086
  559    HZ1  LYS  81           HZ1      LYS  81 -20.040   4.324  -4.020
  560    HZ2  LYS  81           HZ2      LYS  81 -19.661   3.322  -5.253
  561    HZ3  LYS  81           HZ3      LYS  81 -19.212   2.960  -3.719
  562    H    HIS  82           H        HIS  82 -14.136   4.226  -1.143
  563    HA   HIS  82           HA       HIS  82 -11.527   3.759  -2.434
  564    HB2  HIS  82           HB2      HIS  82 -12.077   3.017  -0.094
  565    HB3  HIS  82           HB3      HIS  82 -13.275   1.906  -0.774
  566    HD2  HIS  82           HD2      HIS  82 -12.238  -0.452  -0.625
  567    HE1  HIS  82           HE1      HIS  82  -8.428   0.235  -2.300
  568    HE2  HIS  82           HE2      HIS  82 -10.064  -1.533  -1.472
  569    H    GLU  83           H        GLU  83 -11.127   2.185  -4.072
  570    HA   GLU  83           HA       GLU  83 -13.505   1.494  -5.729
  571    HB2  GLU  83           HB2      GLU  83 -11.446   3.063  -6.490
  572    HB3  GLU  83           HB3      GLU  83 -10.731   1.516  -6.881
  573    HG2  GLU  83           HG2      GLU  83 -12.837   0.971  -8.230
  574    HG3  GLU  83           HG3      GLU  83 -13.442   2.569  -7.850
  575    H    GLY  84           H        GLY  84 -11.937  -0.273  -7.434
  576    HA2  GLY  84           HA2      GLY  84 -10.985  -2.561  -5.948
  577    HA3  GLY  84           HA3      GLY  84 -12.601  -2.801  -6.593
  578    HA   PRO  85           HA       PRO  85  -9.920  -3.919 -10.163
  579    HB2  PRO  85           HB2      PRO  85 -11.720  -5.311 -11.665
  580    HB3  PRO  85           HB3      PRO  85 -11.007  -5.973 -10.162
  581    HG2  PRO  85           HG2      PRO  85 -13.695  -4.603 -10.503
  582    HG3  PRO  85           HG3      PRO  85 -13.340  -6.150  -9.670
  583    HD2  PRO  85           HD2      PRO  85 -13.571  -3.779  -8.327
  584    HD3  PRO  85           HD3      PRO  85 -12.415  -5.042  -7.807
  585    H    GLU  86           H        GLU  86 -13.049  -2.255 -10.384
  586    HA   GLU  86           HA       GLU  86 -12.060  -0.118 -11.853
  587    HB2  GLU  86           HB2      GLU  86 -13.334  -0.238 -13.916
  588    HB3  GLU  86           HB3      GLU  86 -12.103  -1.477 -13.869
  589    HG2  GLU  86           HG2      GLU  86 -13.810  -3.189 -13.314
  590    HG3  GLU  86           HG3      GLU  86 -15.068  -1.940 -13.327
  591    H    GLY  87           H        GLY  87 -13.825   1.439 -12.363
  592    HA2  GLY  87           HA2      GLY  87 -16.371   1.812 -11.897
  593    HA3  GLY  87           HA3      GLY  87 -15.927   1.363 -10.242
  594    H    GLN  88           H        GLN  88 -16.029   3.363  -9.154
  595    HA   GLN  88           HA       GLN  88 -13.807   5.109  -9.873
  596    HB2  GLN  88           HB2      GLN  88 -15.824   6.155 -10.970
  597    HB3  GLN  88           HB3      GLN  88 -16.528   6.373  -9.365
  598    HG2  GLN  88           HG2      GLN  88 -15.439   8.438 -10.103
  599    HG3  GLN  88           HG3      GLN  88 -14.559   7.786  -8.725
  600   HE21  GLN  88          HE21      GLN  88 -12.268   7.152  -9.058
  601   HE22  GLN  88          HE22      GLN  88 -11.578   7.266 -10.665
  602    H    GLY  89           H        GLY  89 -12.598   4.992  -8.255
  603    HA2  GLY  89           HA2      GLY  89 -13.435   6.174  -5.670
  604    HA3  GLY  89           HA3      GLY  89 -12.610   4.632  -5.626
  605    H    HIS  90           H        HIS  90 -10.621   5.278  -4.800
  606    HA   HIS  90           HA       HIS  90  -9.130   7.530  -5.850
  607    HB2  HIS  90           HB2      HIS  90  -7.833   5.282  -4.326
  608    HB3  HIS  90           HB3      HIS  90  -7.504   6.996  -4.266
  609    HD2  HIS  90           HD2      HIS  90  -9.661   8.486  -3.009
  610    HE1  HIS  90           HE1      HIS  90 -10.467   5.390  -0.227
  611    HE2  HIS  90           HE2      HIS  90 -10.802   7.855  -0.790
  612    H    LEU  91           H        LEU  91  -7.454   7.581  -7.391
  613    HA   LEU  91           HA       LEU  91  -7.187   5.322  -9.158
  614    HB2  LEU  91           HB2      LEU  91  -5.686   6.684 -10.452
  615    HB3  LEU  91           HB3      LEU  91  -7.137   7.551  -9.995
  616    HG   LEU  91           HG       LEU  91  -5.785   8.766  -8.222
  617   HD11  LEU  91          HD11      LEU  91  -3.432   7.463  -9.673
  618   HD12  LEU  91          HD12      LEU  91  -3.305   8.885  -8.615
  619   HD13  LEU  91          HD13      LEU  91  -3.811   7.347  -7.942
  620   HD21  LEU  91          HD21      LEU  91  -6.362   9.719 -10.444
  621   HD22  LEU  91          HD22      LEU  91  -4.806  10.312  -9.846
  622   HD23  LEU  91          HD23      LEU  91  -4.857   9.059 -11.109
  623    H    GLY  92           H        GLY  92  -5.466   6.001  -6.250
  624    HA2  GLY  92           HA2      GLY  92  -3.206   4.236  -6.935
  625    HA3  GLY  92           HA3      GLY  92  -3.508   5.048  -5.383
  626    H    ASP  93           H        ASP  93  -6.284   3.336  -6.409
  627    HA   ASP  93           HA       ASP  93  -5.740   1.124  -4.545
  628    HB2  ASP  93           HB2      ASP  93  -8.229   1.940  -6.075
  629    HB3  ASP  93           HB3      ASP  93  -8.127   0.548  -4.985
  630    H    LEU  94           H        LEU  94  -5.632  -1.053  -5.094
  631    HA   LEU  94           HA       LEU  94  -4.274  -1.460  -7.706
  632    HB2  LEU  94           HB2      LEU  94  -3.271  -0.227  -5.244
  633    HB3  LEU  94           HB3      LEU  94  -2.410  -1.716  -5.521
  634    HG   LEU  94           HG       LEU  94  -1.455  -0.954  -7.491
  635   HD11  LEU  94          HD11      LEU  94  -3.247   1.503  -7.456
  636   HD12  LEU  94          HD12      LEU  94  -1.856   1.276  -8.528
  637   HD13  LEU  94          HD13      LEU  94  -3.255   0.211  -8.676
  638   HD21  LEU  94          HD21      LEU  94  -0.565  -0.081  -5.333
  639   HD22  LEU  94          HD22      LEU  94  -0.134   0.870  -6.765
  640   HD23  LEU  94          HD23      LEU  94  -1.408   1.443  -5.673
  641    HA   PRO  95           HA       PRO  95  -4.812  -5.670  -7.062
  642    HB2  PRO  95           HB2      PRO  95  -2.579  -7.016  -7.838
  643    HB3  PRO  95           HB3      PRO  95  -3.481  -5.945  -8.957
  644    HG2  PRO  95           HG2      PRO  95  -1.018  -5.264  -7.316
  645    HG3  PRO  95           HG3      PRO  95  -1.278  -5.000  -9.068
  646    HD2  PRO  95           HD2      PRO  95  -1.689  -3.067  -7.206
  647    HD3  PRO  95           HD3      PRO  95  -2.725  -3.177  -8.667
  648    H    VAL  96           H        VAL  96  -4.444  -7.706  -5.894
  649    HA   VAL  96           HA       VAL  96  -3.612  -7.058  -3.181
  650    HB   VAL  96           HB       VAL  96  -4.620  -9.258  -2.539
  651   HG11  VAL  96          HG11      VAL  96  -6.424  -7.307  -4.040
  652   HG12  VAL  96          HG12      VAL  96  -6.922  -8.443  -2.770
  653   HG13  VAL  96          HG13      VAL  96  -5.833  -7.108  -2.381
  654   HG21  VAL  96          HG21      VAL  96  -4.488 -10.450  -4.708
  655   HG22  VAL  96          HG22      VAL  96  -6.131 -10.366  -4.060
  656   HG23  VAL  96          HG23      VAL  96  -5.656  -9.296  -5.399
  657    H    LEU  97           H        LEU  97  -2.000  -7.631  -2.131
  658    HA   LEU  97           HA       LEU  97   0.298  -9.058  -3.224
  659    HB2  LEU  97           HB2      LEU  97   0.213  -6.837  -2.003
  660    HB3  LEU  97           HB3      LEU  97  -0.232  -7.668  -0.560
  661    HG   LEU  97           HG       LEU  97   1.861  -7.941   0.014
  662   HD11  LEU  97          HD11      LEU  97   2.577  -9.177  -2.688
  663   HD12  LEU  97          HD12      LEU  97   3.625  -9.125  -1.258
  664   HD13  LEU  97          HD13      LEU  97   2.152 -10.076  -1.211
  665   HD21  LEU  97          HD21      LEU  97   2.127  -5.795  -1.086
  666   HD22  LEU  97          HD22      LEU  97   3.637  -6.732  -1.069
  667   HD23  LEU  97          HD23      LEU  97   2.682  -6.617  -2.567
  668    H    VAL  98           H        VAL  98  -1.107 -11.099  -3.293
  669    HA   VAL  98           HA       VAL  98  -1.761 -12.568  -0.915
  670    HB   VAL  98           HB       VAL  98  -1.064 -13.587  -3.697
  671   HG11  VAL  98          HG11      VAL  98  -2.406 -15.036  -1.359
  672   HG12  VAL  98          HG12      VAL  98  -2.368 -15.634  -3.033
  673   HG13  VAL  98          HG13      VAL  98  -0.864 -15.474  -2.132
  674   HG21  VAL  98          HG21      VAL  98  -3.018 -12.092  -3.682
  675   HG22  VAL  98          HG22      VAL  98  -3.537 -13.756  -3.947
  676   HG23  VAL  98          HG23      VAL  98  -3.742 -13.012  -2.347
  677    H    VAL  99           H        VAL  99  -0.637 -14.096   0.301
  678    HA   VAL  99           HA       VAL  99   2.180 -14.741  -0.444
  679    HB   VAL  99           HB       VAL  99   2.720 -13.276   1.229
  680   HG11  VAL  99          HG11      VAL  99   0.258 -14.037   2.765
  681   HG12  VAL  99          HG12      VAL  99   1.612 -13.115   3.482
  682   HG13  VAL  99          HG13      VAL  99   0.761 -12.485   2.080
  683   HG21  VAL  99          HG21      VAL  99   3.620 -15.581   1.696
  684   HG22  VAL  99          HG22      VAL  99   3.574 -14.494   3.100
  685   HG23  VAL  99          HG23      VAL  99   2.362 -15.769   2.919
  686    H    ASN 100           H        ASN 100   2.671 -16.825  -0.327
  687    HA   ASN 100           HA       ASN 100   0.601 -18.776   0.014
  688    HB2  ASN 100           HB2      ASN 100   2.420 -20.412  -0.454
  689    HB3  ASN 100           HB3      ASN 100   2.273 -19.128  -1.646
  690   HD21  ASN 100          HD21      ASN 100   3.909 -18.069   1.269
  691   HD22  ASN 100          HD22      ASN 100   5.484 -18.036   0.504
  692    H    ASN 101           H        ASN 101   0.501 -20.523   1.376
  693    HA   ASN 101           HA       ASN 101   0.172 -20.480   3.984
  694    HB2  ASN 101           HB2      ASN 101   0.563 -22.939   4.006
  695    HB3  ASN 101           HB3      ASN 101  -0.455 -22.334   2.698
  696   HD21  ASN 101          HD21      ASN 101   0.344 -22.297   0.526
  697   HD22  ASN 101          HD22      ASN 101   1.875 -23.003   0.117
  698    H    ASP 102           H        ASP 102   3.482 -20.556   2.854
  699    HA   ASP 102           HA       ASP 102   4.650 -21.556   5.327
  700    HB2  ASP 102           HB2      ASP 102   5.486 -21.787   2.883
  701    HB3  ASP 102           HB3      ASP 102   6.091 -20.140   3.060
  702    H    GLY 103           H        GLY 103   3.671 -18.397   4.211
  703    HA2  GLY 103           HA2      GLY 103   3.500 -16.476   5.555
  704    HA3  GLY 103           HA3      GLY 103   4.679 -17.139   6.707
  705    H    ILE 104           H        ILE 104   5.543 -17.131   3.349
  706    HA   ILE 104           HA       ILE 104   7.162 -14.630   3.656
  707    HB   ILE 104           HB       ILE 104   8.029 -17.175   2.200
  708   HG12  ILE 104          HG12      ILE 104   8.965 -16.130   4.910
  709   HG13  ILE 104          HG13      ILE 104   8.040 -17.599   4.624
  710   HG21  ILE 104          HG21      ILE 104   9.657 -14.681   2.872
  711   HG22  ILE 104          HG22      ILE 104  10.172 -16.067   1.891
  712   HG23  ILE 104          HG23      ILE 104   8.923 -14.994   1.287
  713   HD11  ILE 104          HD11      ILE 104  10.917 -17.117   3.797
  714   HD12  ILE 104          HD12      ILE 104  10.295 -18.241   5.014
  715   HD13  ILE 104          HD13      ILE 104   9.946 -18.528   3.299
  716    H    ALA 105           H        ALA 105   6.624 -13.138   2.215
  717    HA   ALA 105           HA       ALA 105   4.686 -13.738   0.117
  718    HB1  ALA 105           HB1      ALA 105   6.076 -11.149   0.936
  719    HB2  ALA 105           HB2      ALA 105   4.741 -11.281  -0.234
  720    HB3  ALA 105           HB3      ALA 105   4.467 -11.694   1.460
  721    H    THR 106           H        THR 106   5.118 -14.272  -1.844
  722    HA   THR 106           HA       THR 106   7.634 -13.496  -3.252
  723    HB   THR 106           HB       THR 106   7.907 -15.629  -2.079
  724    HG1  THR 106           HG1      THR 106   9.138 -15.913  -3.698
  725   HG21  THR 106          HG21      THR 106   5.629 -16.644  -3.843
  726   HG22  THR 106          HG22      THR 106   6.737 -17.663  -2.906
  727   HG23  THR 106          HG23      THR 106   5.649 -16.556  -2.066
  728    H    GLU 107           H        GLU 107   4.256 -13.540  -3.448
  729    HA   GLU 107           HA       GLU 107   3.940 -14.378  -6.191
  730    HB2  GLU 107           HB2      GLU 107   2.086 -12.863  -4.331
  731    HB3  GLU 107           HB3      GLU 107   1.615 -13.547  -5.878
  732    HG2  GLU 107           HG2      GLU 107   2.720 -15.304  -3.637
  733    HG3  GLU 107           HG3      GLU 107   1.033 -14.828  -3.717
  734    HA   PRO 108           HA       PRO 108   4.964 -10.156  -7.673
  735    HB2  PRO 108           HB2      PRO 108   5.200 -10.669 -10.336
  736    HB3  PRO 108           HB3      PRO 108   6.443 -11.173  -9.156
  737    HG2  PRO 108           HG2      PRO 108   4.202 -12.853 -10.326
  738    HG3  PRO 108           HG3      PRO 108   5.937 -13.270 -10.173
  739    HD2  PRO 108           HD2      PRO 108   4.056 -14.074  -8.339
  740    HD3  PRO 108           HD3      PRO 108   5.736 -13.688  -7.880
  741    H    VAL 109           H        VAL 109   3.610  -8.525  -8.261
  742    HA   VAL 109           HA       VAL 109   1.206  -9.053  -9.934
  743    HB   VAL 109           HB       VAL 109  -0.237  -7.700  -8.476
  744   HG11  VAL 109          HG11      VAL 109   0.799 -10.148  -6.995
  745   HG12  VAL 109          HG12      VAL 109  -0.813  -9.408  -6.880
  746   HG13  VAL 109          HG13      VAL 109  -0.310 -10.183  -8.389
  747   HG21  VAL 109          HG21      VAL 109   1.388  -6.423  -7.163
  748   HG22  VAL 109          HG22      VAL 109   0.305  -7.322  -6.096
  749   HG23  VAL 109          HG23      VAL 109   1.959  -7.910  -6.366
  750    H    THR 110           H        THR 110   0.310  -7.061 -10.904
  751    HA   THR 110           HA       THR 110   2.359  -4.880 -11.084
  752    HB   THR 110           HB       THR 110   1.046  -6.341 -13.404
  753    HG1  THR 110           HG1      THR 110   3.051  -7.232 -13.668
  754   HG21  THR 110          HG21      THR 110   3.296  -4.263 -13.367
  755   HG22  THR 110          HG22      THR 110   2.662  -5.105 -14.800
  756   HG23  THR 110          HG23      THR 110   1.634  -3.988 -13.904
  757    H    ALA 111           H        ALA 111   1.621  -2.855 -11.392
  758    HA   ALA 111           HA       ALA 111  -1.349  -2.478 -11.404
  759    HB1  ALA 111           HB1      ALA 111   0.831  -0.903 -10.002
  760    HB2  ALA 111           HB2      ALA 111  -0.905  -0.546  -9.957
  761    HB3  ALA 111           HB3      ALA 111  -0.285  -2.061  -9.258
  762    HA   PRO 112           HA       PRO 112  -0.081  -0.172 -15.188
  763    HB2  PRO 112           HB2      PRO 112  -2.393  -0.436 -16.624
  764    HB3  PRO 112           HB3      PRO 112  -1.218  -1.763 -16.436
  765    HG2  PRO 112           HG2      PRO 112  -3.730  -1.270 -14.812
  766    HG3  PRO 112           HG3      PRO 112  -3.214  -2.790 -15.615
  767    HD2  PRO 112           HD2      PRO 112  -2.749  -2.346 -12.985
  768    HD3  PRO 112           HD3      PRO 112  -1.534  -3.180 -13.997
  769    H    ARG 113           H        ARG 113  -2.074   0.795 -12.696
  770    HA   ARG 113           HA       ARG 113  -3.454   3.026 -13.995
  771    HB2  ARG 113           HB2      ARG 113  -2.932   2.585 -11.022
  772    HB3  ARG 113           HB3      ARG 113  -4.057   3.743 -11.740
  773    HG2  ARG 113           HG2      ARG 113  -5.305   1.771 -12.773
  774    HG3  ARG 113           HG3      ARG 113  -4.237   0.711 -11.844
  775    HD2  ARG 113           HD2      ARG 113  -6.050   0.805 -10.466
  776    HD3  ARG 113           HD3      ARG 113  -5.044   2.065  -9.755
  777    HE   ARG 113           HE       ARG 113  -6.518   3.583 -11.386
  778   HH11  ARG 113          HH11      ARG 113  -7.644   1.008  -9.209
  779   HH12  ARG 113          HH12      ARG 113  -9.328   1.476  -9.471
  780   HH21  ARG 113          HH21      ARG 113  -8.766   4.188 -11.424
  781   HH22  ARG 113          HH22      ARG 113  -9.866   3.307 -10.392
  782    H    LEU 114           H        LEU 114  -0.328   2.478 -12.713
  783    HA   LEU 114           HA       LEU 114   0.553   5.328 -12.955
  784    HB2  LEU 114           HB2      LEU 114   1.382   3.090 -11.044
  785    HB3  LEU 114           HB3      LEU 114   2.373   4.504 -11.356
  786    HG   LEU 114           HG       LEU 114   1.288   4.698  -9.257
  787   HD11  LEU 114          HD11      LEU 114   0.051   6.689 -11.183
  788   HD12  LEU 114          HD12      LEU 114   0.405   6.926  -9.453
  789   HD13  LEU 114          HD13      LEU 114   1.734   6.689 -10.603
  790   HD21  LEU 114          HD21      LEU 114  -0.779   3.350  -9.711
  791   HD22  LEU 114          HD22      LEU 114  -1.046   4.863  -8.826
  792   HD23  LEU 114          HD23      LEU 114  -1.455   4.775 -10.541
  793    H    LYS 115           H        LYS 115   2.207   5.545 -14.404
  794    HA   LYS 115           HA       LYS 115   3.421   3.102 -15.614
  795    HB2  LYS 115           HB2      LYS 115   2.640   3.766 -17.849
  796    HB3  LYS 115           HB3      LYS 115   1.350   3.252 -16.780
  797    HG2  LYS 115           HG2      LYS 115   1.992   6.188 -17.019
  798    HG3  LYS 115           HG3      LYS 115   1.110   5.391 -18.323
  799    HD2  LYS 115           HD2      LYS 115  -0.721   4.783 -16.919
  800    HD3  LYS 115           HD3      LYS 115   0.112   5.258 -15.455
  801    HE2  LYS 115           HE2      LYS 115  -0.778   7.156 -17.650
  802    HE3  LYS 115           HE3      LYS 115  -1.571   6.902 -16.084
  803    HZ1  LYS 115           HZ1      LYS 115   1.068   8.132 -16.571
  804    HZ2  LYS 115           HZ2      LYS 115  -0.249   8.792 -15.829
  805    HZ3  LYS 115           HZ3      LYS 115   0.667   7.623 -15.090
  806    H    SER 116           H        SER 116   4.218   5.743 -14.243
  807    HA   SER 116           HA       SER 116   6.805   5.188 -15.377
  808    HB2  SER 116           HB2      SER 116   7.757   7.369 -15.277
  809    HB3  SER 116           HB3      SER 116   6.354   7.458 -16.348
  810    HG   SER 116           HG       SER 116   5.196   8.495 -14.763
  811    H    LEU 117           H        LEU 117   8.538   5.473 -13.661
  812    HA   LEU 117           HA       LEU 117   7.360   5.342 -10.951
  813    HB2  LEU 117           HB2      LEU 117   9.571   4.084 -12.237
  814    HB3  LEU 117           HB3      LEU 117  10.259   5.126 -11.006
  815    HG   LEU 117           HG       LEU 117   7.869   3.447 -10.248
  816   HD11  LEU 117          HD11      LEU 117  10.523   2.235 -10.874
  817   HD12  LEU 117          HD12      LEU 117   9.489   1.555  -9.606
  818   HD13  LEU 117          HD13      LEU 117   8.891   1.648 -11.268
  819   HD21  LEU 117          HD21      LEU 117   9.198   4.969  -8.633
  820   HD22  LEU 117          HD22      LEU 117   9.132   3.265  -8.119
  821   HD23  LEU 117          HD23      LEU 117  10.595   3.885  -8.912
  822    H    ASP 118           H        ASP 118   9.147   7.584 -12.991
  823    HA   ASP 118           HA       ASP 118   9.831   9.636 -11.261
  824    HB2  ASP 118           HB2      ASP 118   8.461   9.748 -13.982
  825    HB3  ASP 118           HB3      ASP 118   9.135  11.144 -13.152
  826    H    GLU 119           H        GLU 119   6.506   9.021 -12.569
  827    HA   GLU 119           HA       GLU 119   5.386  11.232 -11.132
  828    HB2  GLU 119           HB2      GLU 119   3.251  10.549 -11.930
  829    HB3  GLU 119           HB3      GLU 119   4.464  10.386 -13.180
  830    HG2  GLU 119           HG2      GLU 119   4.497   7.847 -12.328
  831    HG3  GLU 119           HG3      GLU 119   2.905   8.262 -11.715
  832    H    VAL 120           H        VAL 120   6.567   8.467  -9.733
  833    HA   VAL 120           HA       VAL 120   4.878   8.919  -7.326
  834    HB   VAL 120           HB       VAL 120   4.973   6.516  -6.747
  835   HG11  VAL 120          HG11      VAL 120   3.628   7.089  -9.406
  836   HG12  VAL 120          HG12      VAL 120   3.221   5.795  -8.271
  837   HG13  VAL 120          HG13      VAL 120   2.974   7.485  -7.801
  838   HG21  VAL 120          HG21      VAL 120   6.942   5.886  -8.218
  839   HG22  VAL 120          HG22      VAL 120   5.539   4.813  -8.352
  840   HG23  VAL 120          HG23      VAL 120   5.845   6.021  -9.613
  841    H    LYS 121           H        LYS 121   7.693   9.757  -8.244
  842    HA   LYS 121           HA       LYS 121   9.616   8.382  -6.779
  843    HB2  LYS 121           HB2      LYS 121  11.102  10.185  -7.401
  844    HB3  LYS 121           HB3      LYS 121  10.034   9.709  -8.719
  845    HG2  LYS 121           HG2      LYS 121   8.547  11.711  -8.090
  846    HG3  LYS 121           HG3      LYS 121   9.832  12.223  -6.991
  847    HD2  LYS 121           HD2      LYS 121  11.389  12.518  -8.782
  848    HD3  LYS 121           HD3      LYS 121  10.378  11.628  -9.933
  849    HE2  LYS 121           HE2      LYS 121   8.646  13.352  -9.856
  850    HE3  LYS 121           HE3      LYS 121   9.577  14.277  -8.667
  851    HZ1  LYS 121           HZ1      LYS 121  10.514  13.653 -11.417
  852    HZ2  LYS 121           HZ2      LYS 121   9.880  15.081 -10.946
  853    HZ3  LYS 121           HZ3      LYS 121  11.321  14.546 -10.302
  854    H    ASP 122           H        ASP 122   7.360  10.204  -5.181
  855    HA   ASP 122           HA       ASP 122   8.775   9.826  -2.686
  856    HB2  ASP 122           HB2      ASP 122   9.622  12.071  -3.219
  857    HB3  ASP 122           HB3      ASP 122   7.970  12.670  -3.384
  858    H    LYS 123           H        LYS 123   6.896   8.327  -3.356
  859    HA   LYS 123           HA       LYS 123   4.402   9.212  -1.933
  860    HB2  LYS 123           HB2      LYS 123   4.707   6.919  -3.904
  861    HB3  LYS 123           HB3      LYS 123   3.223   7.485  -3.148
  862    HG2  LYS 123           HG2      LYS 123   4.846   9.096  -5.144
  863    HG3  LYS 123           HG3      LYS 123   3.484   8.040  -5.538
  864    HD2  LYS 123           HD2      LYS 123   2.083   9.486  -3.968
  865    HD3  LYS 123           HD3      LYS 123   3.424  10.644  -3.981
  866    HE2  LYS 123           HE2      LYS 123   2.011   9.500  -6.443
  867    HE3  LYS 123           HE3      LYS 123   1.586  11.054  -5.692
  868    HZ1  LYS 123           HZ1      LYS 123   4.296  10.513  -6.709
  869    HZ2  LYS 123           HZ2      LYS 123   3.158  11.164  -7.645
  870    HZ3  LYS 123           HZ3      LYS 123   3.620  11.964  -6.259
  871    H    ALA 124           H        ALA 124   3.619   7.873  -0.318
  872    HA   ALA 124           HA       ALA 124   5.274   5.612   0.652
  873    HB1  ALA 124           HB1      ALA 124   2.692   6.842   1.688
  874    HB2  ALA 124           HB2      ALA 124   3.647   5.579   2.498
  875    HB3  ALA 124           HB3      ALA 124   4.328   7.200   2.289
  876    H    LEU 125           H        LEU 125   4.712   3.540   0.504
  877    HA   LEU 125           HA       LEU 125   2.212   2.681  -0.905
  878    HB2  LEU 125           HB2      LEU 125   5.051   1.576  -0.906
  879    HB3  LEU 125           HB3      LEU 125   3.653   0.555  -1.231
  880    HG   LEU 125           HG       LEU 125   3.024   1.890  -3.170
  881   HD11  LEU 125          HD11      LEU 125   5.581   3.455  -2.611
  882   HD12  LEU 125          HD12      LEU 125   4.711   3.449  -4.163
  883   HD13  LEU 125          HD13      LEU 125   3.927   4.122  -2.739
  884   HD21  LEU 125          HD21      LEU 125   4.615  -0.049  -3.270
  885   HD22  LEU 125          HD22      LEU 125   4.846   1.110  -4.590
  886   HD23  LEU 125          HD23      LEU 125   5.954   1.084  -3.179
  887    H    MET 126           H        MET 126   1.133   0.941   0.129
  888    HA   MET 126           HA       MET 126   2.216   0.114   2.805
  889    HB2  MET 126           HB2      MET 126  -0.625   1.000   2.212
  890    HB3  MET 126           HB3      MET 126  -0.076   0.256   3.729
  891    HG2  MET 126           HG2      MET 126   1.497   2.145   4.082
  892    HG3  MET 126           HG3      MET 126   0.960   2.870   2.576
  893    HE1  MET 126           HE1      MET 126   0.306   5.076   3.234
  894    HE2  MET 126           HE2      MET 126  -0.508   5.501   4.754
  895    HE3  MET 126           HE3      MET 126   1.089   4.700   4.777
  896    H    ILE 127           H        ILE 127   1.946  -1.921   3.369
  897    HA   ILE 127           HA       ILE 127   0.457  -3.812   1.567
  898    HB   ILE 127           HB       ILE 127   2.385  -4.448   3.842
  899   HG12  ILE 127          HG12      ILE 127   2.721  -4.681   0.815
  900   HG13  ILE 127          HG13      ILE 127   3.541  -3.534   1.858
  901   HG21  ILE 127          HG21      ILE 127   0.955  -6.292   1.864
  902   HG22  ILE 127          HG22      ILE 127   2.118  -6.802   3.108
  903   HG23  ILE 127          HG23      ILE 127   0.571  -6.137   3.591
  904   HD11  ILE 127          HD11      ILE 127   3.964  -6.538   1.809
  905   HD12  ILE 127          HD12      ILE 127   5.098  -5.261   1.355
  906   HD13  ILE 127          HD13      ILE 127   4.641  -5.457   3.056
  907    H    HIS 128           H        HIS 128  -1.492  -4.401   2.174
  908    HA   HIS 128           HA       HIS 128  -2.494  -3.267   4.721
  909    HB2  HIS 128           HB2      HIS 128  -3.354  -3.243   1.845
  910    HB3  HIS 128           HB3      HIS 128  -4.600  -3.108   3.020
  911    HD1  HIS 128           HD1      HIS 128  -3.086  -1.224   5.114
  912    HD2  HIS 128           HD2      HIS 128  -3.522  -0.789   0.984
  913    HE1  HIS 128           HE1      HIS 128  -2.980   1.325   4.661
  914    H    VAL 129           H        VAL 129  -4.028  -4.284   5.952
  915    HA   VAL 129           HA       VAL 129  -3.080  -6.874   6.346
  916    HB   VAL 129           HB       VAL 129  -4.719  -7.179   8.175
  917   HG11  VAL 129          HG11      VAL 129  -3.328  -4.479   8.118
  918   HG12  VAL 129          HG12      VAL 129  -3.894  -5.330   9.564
  919   HG13  VAL 129          HG13      VAL 129  -2.609  -6.032   8.570
  920   HG21  VAL 129          HG21      VAL 129  -6.700  -6.052   7.253
  921   HG22  VAL 129          HG22      VAL 129  -6.242  -5.340   8.796
  922   HG23  VAL 129          HG23      VAL 129  -5.855  -4.494   7.279
  923    H    GLY 130           H        GLY 130  -6.123  -6.063   4.746
  924    HA2  GLY 130           HA2      GLY 130  -6.513  -8.959   4.063
  925    HA3  GLY 130           HA3      GLY 130  -7.863  -7.903   4.495
  926    H    GLY 131           H        GLY 131  -7.264  -9.328   1.985
  927    HA2  GLY 131           HA2      GLY 131  -6.605  -7.815  -0.208
  928    HA3  GLY 131           HA3      GLY 131  -7.867  -9.036  -0.211
  929    H    ASP 132           H        ASP 132  -7.504  -6.443  -1.565
  930    HA   ASP 132           HA       ASP 132  -8.744  -4.400  -0.077
  931    HB2  ASP 132           HB2      ASP 132  -6.721  -4.443  -1.656
  932    HB3  ASP 132           HB3      ASP 132  -7.855  -4.369  -2.987
  933    H    ASN 133           H        ASN 133 -10.420  -6.623  -1.779
  934    HA   ASN 133           HA       ASN 133 -12.066  -5.068  -3.546
  935    HB2  ASN 133           HB2      ASN 133 -11.318  -7.492  -3.750
  936    HB3  ASN 133           HB3      ASN 133 -12.484  -7.903  -2.495
  937   HD21  ASN 133          HD21      ASN 133 -12.092  -6.795  -5.855
  938   HD22  ASN 133          HD22      ASN 133 -13.729  -7.239  -6.329
  939    H    MET 134           H        MET 134 -12.418  -5.621  -0.171
  940    HA   MET 134           HA       MET 134 -15.320  -5.786  -0.079
  941    HB2  MET 134           HB2      MET 134 -15.010  -5.929   2.343
  942    HB3  MET 134           HB3      MET 134 -13.985  -7.050   1.463
  943    HG2  MET 134           HG2      MET 134 -12.020  -5.575   1.801
  944    HG3  MET 134           HG3      MET 134 -13.041  -4.386   2.600
  945    HE1  MET 134           HE1      MET 134 -11.093  -7.663   2.777
  946    HE2  MET 134           HE2      MET 134 -11.592  -8.417   4.301
  947    HE3  MET 134           HE3      MET 134 -12.710  -8.388   2.921
  948    H    SER 135           H        SER 135 -14.879  -3.553  -1.442
  949    HA   SER 135           HA       SER 135 -13.918  -1.441   0.054
  950    HB2  SER 135           HB2      SER 135 -15.241  -1.377  -2.694
  951    HB3  SER 135           HB3      SER 135 -14.064  -0.209  -2.068
  952    HG   SER 135           HG       SER 135 -12.848  -1.645  -3.208
  953    H    ASP 136           H        ASP 136 -17.323  -1.900  -0.788
  954    HA   ASP 136           HA       ASP 136 -17.871   0.957  -0.538
  955    HB2  ASP 136           HB2      ASP 136 -18.638  -0.708  -2.359
  956    HB3  ASP 136           HB3      ASP 136 -19.844  -1.251  -1.198
  957    H    GLN 137           H        GLN 137 -17.298  -0.595   1.946
  958    HA   GLN 137           HA       GLN 137 -19.795  -1.036   3.354
  959    HB2  GLN 137           HB2      GLN 137 -16.869  -1.077   4.189
  960    HB3  GLN 137           HB3      GLN 137 -18.175  -1.331   5.347
  961    HG2  GLN 137           HG2      GLN 137 -18.979  -3.286   4.083
  962    HG3  GLN 137           HG3      GLN 137 -17.706  -3.051   2.880
  963   HE21  GLN 137          HE21      GLN 137 -15.569  -3.778   3.370
  964   HE22  GLN 137          HE22      GLN 137 -15.196  -4.581   4.899
  965    HA   PRO 138           HA       PRO 138 -20.265   3.037   5.216
  966    HB2  PRO 138           HB2      PRO 138 -21.802   2.453   7.405
  967    HB3  PRO 138           HB3      PRO 138 -22.426   2.408   5.729
  968    HG2  PRO 138           HG2      PRO 138 -21.405   0.083   7.393
  969    HG3  PRO 138           HG3      PRO 138 -22.937   0.191   6.464
  970    HD2  PRO 138           HD2      PRO 138 -20.729  -1.015   5.438
  971    HD3  PRO 138           HD3      PRO 138 -21.811  -0.039   4.400
  972    H    LYS 139           H        LYS 139 -18.645   0.382   6.774
  973    HA   LYS 139           HA       LYS 139 -17.053   2.281   8.423
  974    HB2  LYS 139           HB2      LYS 139 -16.799  -0.719   7.957
  975    HB3  LYS 139           HB3      LYS 139 -15.604   0.275   8.797
  976    HG2  LYS 139           HG2      LYS 139 -17.421   0.975  10.420
  977    HG3  LYS 139           HG3      LYS 139 -18.481  -0.234   9.666
  978    HD2  LYS 139           HD2      LYS 139 -16.846  -2.022  10.243
  979    HD3  LYS 139           HD3      LYS 139 -15.761  -0.798  10.932
  980    HE2  LYS 139           HE2      LYS 139 -17.662  -0.157  12.514
  981    HE3  LYS 139           HE3      LYS 139 -18.530  -1.585  11.938
  982    HZ1  LYS 139           HZ1      LYS 139 -15.887  -1.551  13.282
  983    HZ2  LYS 139           HZ2      LYS 139 -17.308  -2.096  13.933
  984    HZ3  LYS 139           HZ3      LYS 139 -16.575  -2.908  12.695
  985    HA   PRO 140           HA       PRO 140 -15.312   2.873   4.235
  986    HB2  PRO 140           HB2      PRO 140 -13.720   5.065   4.736
  987    HB3  PRO 140           HB3      PRO 140 -15.491   5.157   4.496
  988    HG2  PRO 140           HG2      PRO 140 -13.975   5.028   7.122
  989    HG3  PRO 140           HG3      PRO 140 -15.271   6.176   6.648
  990    HD2  PRO 140           HD2      PRO 140 -15.820   3.983   8.124
  991    HD3  PRO 140           HD3      PRO 140 -16.937   4.507   6.824
  992    H    LEU 141           H        LEU 141 -13.404   2.283   3.306
  993    HA   LEU 141           HA       LEU 141 -11.438   1.195   2.976
  994    HB2  LEU 141           HB2      LEU 141 -10.662   2.050   5.807
  995    HB3  LEU 141           HB3      LEU 141  -9.653   1.156   4.708
  996    HG   LEU 141           HG       LEU 141  -9.720   3.032   3.080
  997   HD11  LEU 141          HD11      LEU 141 -11.098   4.539   5.339
  998   HD12  LEU 141          HD12      LEU 141 -10.253   5.324   3.986
  999   HD13  LEU 141          HD13      LEU 141 -11.667   4.331   3.662
 1000   HD21  LEU 141          HD21      LEU 141  -7.839   2.663   4.630
 1001   HD22  LEU 141          HD22      LEU 141  -8.101   4.393   4.362
 1002   HD23  LEU 141          HD23      LEU 141  -8.654   3.642   5.871
 1003    H    GLY 142           H        GLY 142 -13.778   0.164   5.093
 1004    HA2  GLY 142           HA2      GLY 142 -14.598  -1.921   5.457
 1005    HA3  GLY 142           HA3      GLY 142 -13.405  -2.515   4.279
 1006    H    GLY 143           H        GLY 143 -11.825  -1.056   6.868
 1007    HA2  GLY 143           HA2      GLY 143 -10.690  -1.946   8.754
 1008    HA3  GLY 143           HA3      GLY 143 -11.404  -3.547   8.434
 1009    H    GLY 144           H        GLY 144 -10.700  -3.781   5.683
 1010    HA2  GLY 144           HA2      GLY 144  -8.161  -4.959   5.814
 1011    HA3  GLY 144           HA3      GLY 144  -9.012  -4.550   4.314
 1012    H    GLY 145           H        GLY 145  -8.920  -1.618   4.952
 1013    HA2  GLY 145           HA2      GLY 145  -6.324  -0.890   3.929
 1014    HA3  GLY 145           HA3      GLY 145  -7.563   0.222   4.553
 1015    H    THR 146           H        THR 146  -6.894  -1.948   7.023
 1016    HA   THR 146           HA       THR 146  -5.019  -0.265   8.491
 1017    HB   THR 146           HB       THR 146  -5.820  -3.146   9.022
 1018    HG1  THR 146           HG1      THR 146  -7.631  -2.072   9.180
 1019   HG21  THR 146          HG21      THR 146  -4.610  -0.997  10.813
 1020   HG22  THR 146          HG22      THR 146  -5.302  -2.528  11.381
 1021   HG23  THR 146          HG23      THR 146  -3.864  -2.556  10.361
 1022    H    ARG 147           H        ARG 147  -2.797  -0.987   9.045
 1023    HA   ARG 147           HA       ARG 147  -1.460  -1.867   6.524
 1024    HB2  ARG 147           HB2      ARG 147  -0.347  -0.320   8.904
 1025    HB3  ARG 147           HB3      ARG 147   0.492  -0.697   7.411
 1026    HG2  ARG 147           HG2      ARG 147  -0.100   1.579   7.329
 1027    HG3  ARG 147           HG3      ARG 147  -1.112   0.752   6.148
 1028    HD2  ARG 147           HD2      ARG 147  -3.076   1.078   7.435
 1029    HD3  ARG 147           HD3      ARG 147  -2.166   1.294   8.935
 1030    HE   ARG 147           HE       ARG 147  -1.495   3.503   8.218
 1031   HH11  ARG 147          HH11      ARG 147  -4.297   2.280   6.320
 1032   HH12  ARG 147          HH12      ARG 147  -4.685   3.918   5.848
 1033   HH21  ARG 147          HH21      ARG 147  -2.278   5.452   7.778
 1034   HH22  ARG 147          HH22      ARG 147  -3.495   5.677   6.553
 1035    H    TYR 148           H        TYR 148  -0.280  -3.728   6.477
 1036    HA   TYR 148           HA       TYR 148   0.844  -4.773   9.055
 1037    HB2  TYR 148           HB2      TYR 148  -0.457  -6.388   7.412
 1038    HB3  TYR 148           HB3      TYR 148   1.009  -6.381   6.441
 1039    HD1  TYR 148           HD1      TYR 148  -0.515  -7.491   9.598
 1040    HD2  TYR 148           HD2      TYR 148   3.109  -7.352   7.270
 1041    HE1  TYR 148           HE1      TYR 148   0.450  -9.319  10.986
 1042    HE2  TYR 148           HE2      TYR 148   4.071  -9.184   8.646
 1043    HH   TYR 148           HH       TYR 148   3.722 -10.667  10.387
 1044    H    ALA 149           H        ALA 149   1.586  -3.032   6.117
 1045    HA   ALA 149           HA       ALA 149   3.999  -2.259   7.446
 1046    HB1  ALA 149           HB1      ALA 149   4.383  -3.620   4.745
 1047    HB2  ALA 149           HB2      ALA 149   5.628  -2.812   5.711
 1048    HB3  ALA 149           HB3      ALA 149   4.889  -4.297   6.313
 1049    H    CYS 150           H        CYS 150   5.135  -0.495   6.415
 1050    HA   CYS 150           HA       CYS 150   3.838   0.870   4.155
 1051    HB2  CYS 150           HB2      CYS 150   2.960   1.953   6.178
 1052    HB3  CYS 150           HB3      CYS 150   4.610   2.236   6.748
 1053    H    GLY 151           H        GLY 151   5.298   2.132   2.971
 1054    HA2  GLY 151           HA2      GLY 151   8.169   2.197   3.566
 1055    HA3  GLY 151           HA3      GLY 151   7.734   1.077   2.292
 1056    H    VAL 152           H        VAL 152   9.090   3.882   2.443
 1057    HA   VAL 152           HA       VAL 152   7.396   5.344   0.475
 1058    HB   VAL 152           HB       VAL 152   9.720   6.472   2.060
 1059   HG11  VAL 152          HG11      VAL 152   7.368   7.815   0.649
 1060   HG12  VAL 152          HG12      VAL 152   8.677   8.639   1.529
 1061   HG13  VAL 152          HG13      VAL 152   9.024   7.777   0.036
 1062   HG21  VAL 152          HG21      VAL 152   8.052   5.771   3.706
 1063   HG22  VAL 152          HG22      VAL 152   7.972   7.521   3.523
 1064   HG23  VAL 152          HG23      VAL 152   6.745   6.503   2.748
 1065    H    ILE 153           H        ILE 153   8.092   5.932  -1.497
 1066    HA   ILE 153           HA       ILE 153  10.409   4.638  -2.717
 1067    HB   ILE 153           HB       ILE 153   8.324   6.618  -3.695
 1068   HG12  ILE 153          HG12      ILE 153   8.885   3.726  -4.495
 1069   HG13  ILE 153          HG13      ILE 153   7.743   4.172  -3.233
 1070   HG21  ILE 153          HG21      ILE 153  10.576   5.404  -5.368
 1071   HG22  ILE 153          HG22      ILE 153   9.193   6.287  -6.008
 1072   HG23  ILE 153          HG23      ILE 153  10.352   7.118  -4.988
 1073   HD11  ILE 153          HD11      ILE 153   7.475   4.960  -6.157
 1074   HD12  ILE 153          HD12      ILE 153   6.602   3.679  -5.333
 1075   HD13  ILE 153          HD13      ILE 153   6.332   5.362  -4.847
 1076    H    LYS 154           H        LYS 154  12.247   5.591  -3.693
 1077    HA   LYS 154           HA       LYS 154  13.117   8.228  -2.618
 1078    HB2  LYS 154           HB2      LYS 154  14.672   5.590  -2.543
 1079    HB3  LYS 154           HB3      LYS 154  15.326   7.160  -2.085
 1080    HG2  LYS 154           HG2      LYS 154  13.041   5.730  -0.654
 1081    HG3  LYS 154           HG3      LYS 154  14.723   5.738  -0.135
 1082    HD2  LYS 154           HD2      LYS 154  14.693   8.103   0.313
 1083    HD3  LYS 154           HD3      LYS 154  13.122   8.301  -0.473
 1084    HE2  LYS 154           HE2      LYS 154  12.088   6.801   1.222
 1085    HE3  LYS 154           HE3      LYS 154  13.645   6.731   2.080
 1086    HZ1  LYS 154           HZ1      LYS 154  12.122   9.208   1.500
 1087    HZ2  LYS 154           HZ2      LYS 154  12.106   8.450   2.956
 1088    HZ3  LYS 154           HZ3      LYS 154  13.516   9.113   2.397