*HEADER    RNA BINDING PROTEIN/RNA                 05-FEB-15   2MZ1              
*TITLE     SOLUTION STRUCTURE OF HNRNP C RRM IN COMPLEX WITH 5'-UUUUC-3' RNA     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEINS C1/C2;            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RRM (UNP RESIDUES 2-106);                                  
*COMPND   5 SYNONYM: HNRNP C1/C2, HNRNP C;                                       
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: 5'-R(*UP*UP*UP*UP*C)-3';                                   
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: HNRNPC, HNRPC;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: CODON+;                                    
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PTYB11;                                   
*SOURCE  11 MOL_ID: 2;                                                           
*SOURCE  12 SYNTHETIC: YES;                                                      
*SOURCE  13 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE  14 ORGANISM_TAXID: 32630                                                
*KEYWDS    HNRNP C, RRM, COMPLEX, RNA BINDING PROTEIN-RNA COMPLEX                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Z.CIENIKOVA, F.F.DAMBERGER, J.HALL, F.H.-T.ALLAIN, C.MARIS            
*REVDAT   1   08-APR-15 2MZ1    0                                                


#
# 1 ALA HA 42 ILE QG2 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,

      rk2=20, rk3=20, ir6=1, ialtd=0,
 igr2= 656, 657, 658,
 &end
#
# 1 ALA HA 43 VAL HA 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=   6, 671, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 1 ALA HA 45 CYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 696, 697,
 &end
#
# 1 ALA QB 2 SER HA 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=   8,   9,  10,
 &end
#
# 1 ALA QB 2 SER QB 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=   8,   9,  10,
 igr2=  18,  19,
 &end
#
# 1 ALA QB 42 ILE H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1=   8,   9,  10,
 &end
#
# 1 ALA QB 42 ILE HA 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=   8,   9,  10,
 &end
#
# 1 ALA QB 42 ILE HB 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=   8,   9,  10,
 &end
#
# 1 ALA QB 42 ILE QD1 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=   8,   9,  10,
 igr2= 663, 664, 665,
 &end
#
# 1 ALA QB 42 ILE QG2 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=   8,   9,  10,
 igr2= 656, 657, 658,
 &end
#
# 1 ALA QB 43 VAL HA 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=   8,   9,  10,
 &end
#
# 1 ALA QB 43 VAL QQG 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1=   8,   9,  10,
 igr2= 675, 676, 677, 679, 680, 681,
 &end
#
# 1 ALA QB 44 GLY H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=   8,   9,  10,
 &end
#
# 1 ALA QB 44 GLY QA 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   8,   9,  10,
 igr2= 687, 688,
 &end
#
# 1 ALA QB 45 CYS H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=   8,   9,  10,
 &end
#
# 1 ALA QB 45 CYS HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=   8,   9,  10,
 &end
#
# 1 ALA QB 45 CYS QB 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=   8,   9,  10,
 igr2= 696, 697,
 &end
#
# 1 ALA QB 54 VAL QQG 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
 igr1=   8,   9,  10,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 2 SER HA 2 SER QB 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2=  18,  19,
 &end
#
# 2 SER HA 44 GLY QA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 687, 688,
 &end
#
# 2 SER HA 3 ASN H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  25, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 2 SER HA 3 ASN HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  27, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 2 SER HA 3 ASN QB 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=  29,  30,
 &end
#
# 2 SER HA 4 VAL H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  39, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 2 SER HA 4 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  43, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 2 SER HA 4 VAL QQG 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 2 SER QB 44 GLY QA 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=  18,  19,
 igr2= 687, 688,
 &end
#
# 2 SER QB 3 ASN H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  25, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=  18,  19,
 &end
#
# 2 SER QB 4 VAL H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  18,  19,
 &end
#
# 2 SER QB 4 VAL HB 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=  18,  19,
 &end
#
# 2 SER QB 4 VAL QQG 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  18,  19,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 2 SER QB 5 THR QG2 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  18,  19,
 igr2=  61,  62,  63,
 &end
#
# 3 ASN H 3 ASN QB 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=  29,  30,
 &end
#
# 3 ASN H 4 VAL H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  39, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 3 ASN H 4 VAL HB 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  43, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 3 ASN H 4 VAL QQG 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 3 ASN HA 46 SER HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  27, 705, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 3 ASN HA 46 SER QB 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 707, 708,
 &end
#
# 3 ASN HA 4 VAL QQG 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 3 ASN HA 5 THR QG2 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=  61,  62,  63,
 &end
#
# 3 ASN QB 46 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  29,  30,
 &end
#
# 3 ASN QB 3 ASN QD2 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  29,  30,
 igr2=  34,  35,
 &end
#
# 3 ASN QB 4 VAL QQG 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr1=  29,  30,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 3 ASN QD2 4 VAL QQG 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1=  34,  35,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 VAL H 4 VAL HB 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  43, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 4 VAL H 4 VAL QQG 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 VAL H 5 THR QG2 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=  61,  62,  63,
 &end
#
# 4 VAL HA 4 VAL QQG 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 VAL HA 5 THR QG2 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=  61,  62,  63,
 &end
#
# 4 VAL HA 6 ASN H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  69, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 4 VAL HB 5 THR QG2 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=  61,  62,  63,
 &end
#
# 4 VAL QQG 5 THR H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  55, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 VAL QQG 5 THR HA 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 VAL QQG 5 THR HB 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 VAL QQG 6 ASN H 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 VAL QQG 6 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 VAL QQG 6 ASN QB 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1=  45,  46,  47,  49,  50,  51,
 igr2=  73,  74,
 &end
#
# 4 VAL QQG 7 LYS QD 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=  45,  46,  47,  49,  50,  51,
 igr2=  93,  94,
 &end
#
# 4 VAL QQG 7 LYS QE 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=  45,  46,  47,  49,  50,  51,
 igr2=  96,  97,
 &end
#
# 4 VAL QQG 7 LYS QG 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=  45,  46,  47,  49,  50,  51,
 igr2=  90,  91,
 &end
#
# 5 THR H 6 ASN H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  69, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 5 THR HA 16 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 232, 233,
 &end
#
# 5 THR HA 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 675, 676, 677, 679, 680, 681,
 &end
#
# 5 THR HA 53 PHE QB 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 810, 811,
 &end
#
# 5 THR HA 55 GLN HB2 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 846, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 5 THR HA 55 GLN HB3 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 847, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 5 THR HA 55 GLN QG 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 849, 850,
 &end
#
# 5 THR HA 5 THR QG2 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=  61,  62,  63,
 &end
#
# 5 THR HB 16 ARG HA 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 224, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 5 THR HB 16 ARG QD 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 232, 233,
 &end
#
# 5 THR HB 16 ARG QG 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 229, 230,
 &end
#
# 5 THR HB 53 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 THR HB 53 PHE QB 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 810, 811,
 &end
#
# 5 THR HB 54 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 THR HB 55 GLN HB2 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 846, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 5 THR HB 55 GLN HB3 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 847, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 5 THR QG2 16 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 16 ARG QD 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  61,  62,  63,
 igr2= 232, 233,
 &end
#
# 5 THR QG2 44 GLY QA 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=  61,  62,  63,
 igr2= 687, 688,
 &end
#
# 5 THR QG2 45 CYS HA 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 46 SER HA 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 46 SER QB 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=  61,  62,  63,
 igr2= 707, 708,
 &end
#
# 5 THR QG2 47 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 53 PHE H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 53 PHE HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 53 PHE QB 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=  61,  62,  63,
 igr2= 810, 811,
 &end
#
# 5 THR QG2 54 VAL H 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 54 VAL HA 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 55 GLN H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 55 GLN HB2 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 55 GLN HB3 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=  61,  62,  63,
 &end
#
# 5 THR QG2 55 GLN QG 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1=  61,  62,  63,
 igr2= 849, 850,
 &end
#
# 6 ASN H 7 LYS H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  83, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 6 ASN HA 7 LYS HA 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  85, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 6 ASN HA 7 LYS QB 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=  87,  88,
 &end
#
# 6 ASN HA 7 LYS QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  90,  91,
 &end
#
# 6 ASN HA 8 THR QG2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 111, 112, 113,
 &end
#
# 6 ASN QB 8 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  73,  74,
 igr2= 111, 112, 113,
 &end
#
# 7 LYS H 7 LYS QG 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=  90,  91,
 &end
#
# 7 LYS H 8 THR H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 105, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 7 LYS HA 9 ASP H 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 119, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 7 LYS HA 12 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 173, 174,
 &end
#
# 7 LYS HA 7 LYS QD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=  93,  94,
 &end
#
# 7 LYS HA 7 LYS QE 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=  96,  97,
 &end
#
# 7 LYS HA 7 LYS QG 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=  90,  91,
 &end
#
# 7 LYS HA 8 THR H 2.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 105, r1= 1.30, r2= 1.80, r3= 2.48, r4= 2.98,  &end
#
# 7 LYS HA 8 THR QG2 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 111, 112, 113,
 &end
#
# 7 LYS QB 9 ASP H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=  87,  88,
 &end
#
# 7 LYS QB 12 SER QB 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=  87,  88,
 igr2= 173, 174,
 &end
#
# 7 LYS QB 7 LYS QD 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1=  87,  88,
 igr2=  93,  94,
 &end
#
# 7 LYS QB 7 LYS QE 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  87,  88,
 igr2=  96,  97,
 &end
#
# 7 LYS QB 8 THR H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=  87,  88,
 &end
#
# 7 LYS QD 12 SER QB 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=  93,  94,
 igr2= 173, 174,
 &end
#
# 7 LYS QD 7 LYS QE 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=  93,  94,
 igr2=  96,  97,
 &end
#
# 7 LYS QD 8 THR H 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=  93,  94,
 &end
#
# 7 LYS QE 12 SER HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=  96,  97,
 &end
#
# 7 LYS QE 12 SER QB 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=  96,  97,
 igr2= 173, 174,
 &end
#
# 7 LYS QG 12 SER QB 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=  90,  91,
 igr2= 173, 174,
 &end
#
# 7 LYS QG 7 LYS QD 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=  90,  91,
 igr2=  93,  94,
 &end
#
# 7 LYS QG 7 LYS QE 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=  90,  91,
 igr2=  96,  97,
 &end
#
# 7 LYS QG 8 THR H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=  90,  91,
 &end
#
# 8 THR H 9 ASP H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 119, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 8 THR H 9 ASP HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 121, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 8 THR H 8 THR QG2 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 111, 112, 113,
 &end
#
# 8 THR HA 13 MET H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 180, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 8 THR HA 13 MET HB2 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 184, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 8 THR HA 13 MET HB3 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 185, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 8 THR HA 8 THR QG2 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 111, 112, 113,
 &end
#
# 8 THR HB 9 ASP H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 119, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 8 THR HB 13 MET HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 THR HB 13 MET HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 THR HB 13 MET QE 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 191, 192, 193,
 &end
#
# 8 THR QG2 9 ASP H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 111, 112, 113,
 &end
#
# 8 THR QG2 13 MET HB2 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 111, 112, 113,
 &end
#
# 8 THR QG2 13 MET HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 111, 112, 113,
 &end
#
# 8 THR QG2 13 MET QE 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 111, 112, 113,
 igr2= 191, 192, 193,
 &end
#
# 9 ASP H 9 ASP QB 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 123, 124,
 &end
#
# 9 ASP H 12 SER QB 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 173, 174,
 &end
#
# 9 ASP HA 10 PRO HB3 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 139, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 9 ASP HA 10 PRO HG2 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 135, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 9 ASP HA 10 PRO HG3 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 136, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 9 ASP HA 10 PRO QD 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 132, 133,
 &end
#
# 9 ASP HA 12 SER H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 169, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 9 ASP HA 13 MET H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 180, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 9 ASP QB 10 PRO HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 123, 124,
 &end
#
# 9 ASP QB 10 PRO HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 123, 124,
 &end
#
# 9 ASP QB 10 PRO HB3 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 123, 124,
 &end
#
# 9 ASP QB 10 PRO HG2 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 123, 124,
 &end
#
# 9 ASP QB 10 PRO QD 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 123, 124,
 igr2= 132, 133,
 &end
#
# 9 ASP QB 13 MET H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 123, 124,
 &end
#
# 9 ASP QB 13 MET HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 123, 124,
 &end
#
# 10 PRO HB2 11 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 PRO HB2 11 ARG HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 PRO QD 11 ARG H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 132, 133,
 &end
#
# 11 ARG H 11 ARG HG2 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 11 ARG H 11 ARG HG3 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 153, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 11 ARG H 11 ARG QB 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 149, 150,
 &end
#
# 11 ARG H 11 ARG QD 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 155, 156,
 &end
#
# 11 ARG H 12 SER H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 169, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 11 ARG H 13 MET H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 180, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 11 ARG H 13 MET HB3 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 185, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 11 ARG HA 11 ARG HG2 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 11 ARG HA 11 ARG HG3 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 153, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 11 ARG HA 11 ARG QB 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2= 149, 150,
 &end
#
# 11 ARG HA 11 ARG QD 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 155, 156,
 &end
#
# 11 ARG HA 14 ASN H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 197, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 11 ARG HA 14 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 ARG HA 14 ASN QB 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 201, 202,
 &end
#
# 11 ARG HA 14 ASN QD2 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 206, 207,
 &end
#
# 11 ARG HG2 11 ARG QD 2.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
 igr2= 155, 156,
 &end
#
# 11 ARG HG2 12 SER H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 169, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 11 ARG HG2 14 ASN QB 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 201, 202,
 &end
#
# 11 ARG HG3 11 ARG QD 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 155, 156,
 &end
#
# 11 ARG HG3 12 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 ARG QB 11 ARG HG3 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr1= 149, 150,
 &end
#
# 11 ARG QB 11 ARG QD 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 149, 150,
 igr2= 155, 156,
 &end
#
# 11 ARG QB 12 SER H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 149, 150,
 &end
#
# 11 ARG QB 58 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 149, 150,
 &end
#
# 11 ARG QD 12 SER H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 155, 156,
 &end
#
# 11 ARG QD 15 SER QB 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 155, 156,
 igr2= 215, 216,
 &end
#
# 11 ARG QD 57 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 155, 156,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 11 ARG QD 58 ASN HA 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 155, 156,
 &end
#
# 11 ARG QD 58 ASN HB2 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 155, 156,
 &end
#
# 12 SER H 12 SER QB 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 173, 174,
 &end
#
# 12 SER H 13 MET H 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 180, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 12 SER H 13 MET HB3 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 185, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 12 SER H 14 ASN H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 197, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 12 SER HA 15 SER H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 211, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 12 SER QB 13 MET H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 173, 174,
 &end
#
# 13 MET H 13 MET HB2 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 13 MET H 13 MET HB3 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 13 MET H 13 MET QG 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 187, 188,
 &end
#
# 13 MET H 14 ASN H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 197, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 13 MET H 14 ASN HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 199, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 13 MET H 14 ASN QB 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 201, 202,
 &end
#
# 13 MET H 15 SER H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 211, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 13 MET HA 13 MET QE 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 191, 192, 193,
 &end
#
# 13 MET HA 13 MET QG 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 187, 188,
 &end
#
# 13 MET HA 14 ASN HA 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 199, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 13 MET HA 16 ARG H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 222, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 13 MET HA 16 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 MET HA 16 ARG HB2 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 226, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 13 MET HA 84 ALA QB 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1281,1282,1283,
 &end
#
# 13 MET HA 85 ALA QB 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2=1291,1292,1293,
 &end
#
# 13 MET HB2 13 MET QE 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 191, 192, 193,
 &end
#
# 13 MET HB2 14 ASN QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 206, 207,
 &end
#
# 13 MET HB2 85 ALA QB 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1291,1292,1293,
 &end
#
# 13 MET HB3 13 MET QE 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 191, 192, 193,
 &end
#
# 13 MET HB3 14 ASN QD2 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 206, 207,
 &end
#
# 13 MET HB3 85 ALA QB 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1291,1292,1293,
 &end
#
# 13 MET QE 14 ASN QD2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 191, 192, 193,
 igr2= 206, 207,
 &end
#
# 13 MET QE 84 ALA QB 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 191, 192, 193,
 igr2=1281,1282,1283,
 &end
#
# 13 MET QE 85 ALA HA 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 191, 192, 193,
 &end
#
# 13 MET QE 85 ALA QB 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 191, 192, 193,
 igr2=1291,1292,1293,
 &end
#
# 13 MET QG 14 ASN H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 187, 188,
 &end
#
# 13 MET QG 14 ASN HA 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 187, 188,
 &end
#
# 13 MET QG 14 ASN QD2 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 187, 188,
 igr2= 206, 207,
 &end
#
# 14 ASN H 14 ASN QB 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 201, 202,
 &end
#
# 14 ASN H 14 ASN QD2 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 206, 207,
 &end
#
# 14 ASN H 15 SER H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 211, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 14 ASN H 15 SER HA 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 213, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 14 ASN H 16 ARG H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 222, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 14 ASN HA 14 ASN QD2 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 206, 207,
 &end
#
# 14 ASN HA 16 ARG H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 222, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 14 ASN HA 83 LEU QQD 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 14 ASN HA 85 ALA QB 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1291,1292,1293,
 &end
#
# 14 ASN QB 14 ASN QD2 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 201, 202,
 igr2= 206, 207,
 &end
#
# 14 ASN QB 15 SER H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 201, 202,
 &end
#
# 14 ASN QB 15 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 201, 202,
 igr2= 215, 216,
 &end
#
# 14 ASN QB 16 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 201, 202,
 &end
#
# 14 ASN QB 59 GLU H 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 201, 202,
 &end
#
# 14 ASN QB 59 GLU HB2 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 201, 202,
 &end
#
# 14 ASN QB 59 GLU HB3 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 201, 202,
 &end
#
# 14 ASN QB 62 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 201, 202,
 igr2= 967, 968, 969,
 &end
#
# 14 ASN QB 83 LEU QQD 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 201, 202,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 14 ASN QB 85 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 201, 202,
 igr2=1291,1292,1293,
 &end
#
# 14 ASN QD2 15 SER H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 206, 207,
 &end
#
# 14 ASN QD2 83 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 206, 207,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 14 ASN QD2 85 ALA QB 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 206, 207,
 igr2=1291,1292,1293,
 &end
#
# 15 SER H 15 SER QB 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 215, 216,
 &end
#
# 15 SER H 16 ARG H 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 222, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 15 SER H 16 ARG HB2 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 226, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 15 SER H 16 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 SER H 59 GLU H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 910, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 15 SER H 59 GLU HB2 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 914, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 15 SER H 59 GLU HB3 5.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 915, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 15 SER H 62 ALA QB 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 967, 968, 969,
 &end
#
# 15 SER HA 17 VAL QQG 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 15 SER HA 55 GLN QE2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 854, 855,
 &end
#
# 15 SER HA 56 TYR QD 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 867, 876,
 &end
#
# 15 SER HA 58 ASN H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 896, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 15 SER HA 58 ASN HA 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 898, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 15 SER HA 59 GLU H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 910, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 15 SER HA 59 GLU HA 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 912, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 15 SER HA 59 GLU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 SER HA 59 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 917, 918,
 &end
#
# 15 SER HA 60 ARG H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 925, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 15 SER HA 62 ALA H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 963, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 15 SER HA 62 ALA QB 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 967, 968, 969,
 &end
#
# 15 SER HA 63 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 SER QB 16 ARG H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 215, 216,
 &end
#
# 15 SER QB 16 ARG HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 215, 216,
 &end
#
# 15 SER QB 17 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 215, 216,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 15 SER QB 55 GLN QE2 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 215, 216,
 igr2= 854, 855,
 &end
#
# 15 SER QB 55 GLN QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 215, 216,
 igr2= 849, 850,
 &end
#
# 15 SER QB 56 TYR HA 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 215, 216,
 &end
#
# 15 SER QB 56 TYR QD 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 215, 216,
 igr2= 867, 876,
 &end
#
# 15 SER QB 57 VAL HA 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 215, 216,
 &end
#
# 15 SER QB 57 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 215, 216,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 15 SER QB 58 ASN H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 215, 216,
 &end
#
# 15 SER QB 58 ASN HA 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 215, 216,
 &end
#
# 15 SER QB 58 ASN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 215, 216,
 &end
#
# 15 SER QB 59 GLU H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 215, 216,
 &end
#
# 15 SER QB 59 GLU HA 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 912, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 215, 216,
 &end
#
# 15 SER QB 59 GLU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 215, 216,
 &end
#
# 15 SER QB 61 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 215, 216,
 &end
#
# 15 SER QB 62 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 215, 216,
 &end
#
# 15 SER QB 62 ALA QB 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 215, 216,
 igr2= 967, 968, 969,
 &end
#
# 16 ARG H 16 ARG HB2 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 16 ARG H 16 ARG HB3 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 227, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 16 ARG H 16 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 232, 233,
 &end
#
# 16 ARG H 17 VAL H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 246, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 16 ARG H 17 VAL QQG 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 16 ARG H 55 GLN QE2 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 854, 855,
 &end
#
# 16 ARG H 62 ALA QB 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 967, 968, 969,
 &end
#
# 16 ARG H 83 LEU QQD 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 16 ARG H 84 ALA H 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,1277, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 16 ARG H 84 ALA QB 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1281,1282,1283,
 &end
#
# 16 ARG HA 16 ARG QD 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 232, 233,
 &end
#
# 16 ARG HA 16 ARG QG 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 229, 230,
 &end
#
# 16 ARG HA 17 VAL HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 248, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 16 ARG HA 17 VAL QQG 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 16 ARG HA 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 675, 676, 677, 679, 680, 681,
 &end
#
# 16 ARG HA 54 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 ARG HA 54 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 16 ARG HA 55 GLN HA 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 844, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 16 ARG HA 55 GLN HB2 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 846, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 16 ARG HA 55 GLN QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 849, 850,
 &end
#
# 16 ARG HA 56 TYR H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 859, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 16 ARG HA 56 TYR QD 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 867, 876,
 &end
#
# 16 ARG HA 84 ALA QB 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1281,1282,1283,
 &end
#
# 16 ARG HB2 16 ARG HE 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 235, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 16 ARG HB2 55 GLN HA 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 844, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 16 ARG HB2 56 TYR H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 859, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 16 ARG HB3 18 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 ARG HB3 55 GLN QE2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 854, 855,
 &end
#
# 16 ARG HB3 84 ALA H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 227,1277, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 16 ARG HB3 84 ALA QB 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1281,1282,1283,
 &end
#
# 16 ARG HE 84 ALA QB 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1281,1282,1283,
 &end
#
# 16 ARG QD 53 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 232, 233,
 &end
#
# 16 ARG QD 55 GLN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 232, 233,
 &end
#
# 16 ARG QD 84 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 232, 233,
 igr2=1281,1282,1283,
 &end
#
# 16 ARG QG 17 VAL H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 229, 230,
 &end
#
# 16 ARG QG 17 VAL HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 229, 230,
 &end
#
# 16 ARG QG 53 PHE QB 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 229, 230,
 igr2= 810, 811,
 &end
#
# 16 ARG QG 54 VAL H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 229, 230,
 &end
#
# 16 ARG QG 55 GLN QE2 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 229, 230,
 igr2= 854, 855,
 &end
#
# 17 VAL H 17 VAL QQG 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL H 54 VAL H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 826, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 17 VAL H 56 TYR H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 859, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 17 VAL HA 17 VAL QQG 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL HA 18 PHE H 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 262, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 17 VAL HA 18 PHE QB 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 266, 267,
 &end
#
# 17 VAL HA 54 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 17 VAL HA 56 TYR QD 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 867, 876,
 &end
#
# 17 VAL HA 56 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 869, 874,
 &end
#
# 17 VAL HA 62 ALA QB 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 967, 968, 969,
 &end
#
# 17 VAL HA 81 ILE QG2 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1231,1232,1233,
 &end
#
# 17 VAL HA 84 ALA QB 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1281,1282,1283,
 &end
#
# 17 VAL HB 18 PHE H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 262, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 17 VAL HB 19 ILE HG13 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 293, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 17 VAL HB 19 ILE QD1 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 295, 296, 297,
 &end
#
# 17 VAL HB 36 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 VAL HB 54 VAL H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 826, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 17 VAL HB 54 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 VAL HB 54 VAL HB 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 830, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 17 VAL HB 54 VAL QQG 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 17 VAL HB 56 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 867, 876,
 &end
#
# 17 VAL HB 56 TYR QE 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 869, 874,
 &end
#
# 17 VAL HB 62 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 VAL HB 81 ILE QG2 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1231,1232,1233,
 &end
#
# 17 VAL QQG 18 PHE H 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 18 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 18 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 270, 278,
 &end
#
# 17 VAL QQG 19 ILE HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 19 ILE HG12 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 19 ILE HG13 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 19 ILE QD1 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 295, 296, 297,
 &end
#
# 17 VAL QQG 36 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= 252, 253, 254, 256, 257, 258,
 igr2= 555, 563,
 &end
#
# 17 VAL QQG 36 PHE QE 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 557, 561,
 &end
#
# 17 VAL QQG 54 VAL H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 54 VAL HB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 54 VAL QQG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 17 VAL QQG 55 GLN HA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 55 GLN QE2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 854, 855,
 &end
#
# 17 VAL QQG 56 TYR QD 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 867, 876,
 &end
#
# 17 VAL QQG 56 TYR QE 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 869, 874,
 &end
#
# 17 VAL QQG 62 ALA H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 62 ALA HA 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 62 ALA QB 2.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 967, 968, 969,
 &end
#
# 17 VAL QQG 65 ALA H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 65 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 65 ALA QB 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2=1011,1012,1013,
 &end
#
# 17 VAL QQG 66 VAL H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 66 VAL QQG 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 17 VAL QQG 81 ILE HA 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 VAL QQG 82 ASN H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 PHE H 18 PHE QB 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 266, 267,
 &end
#
# 18 PHE H 18 PHE QD 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 270, 278,
 &end
#
# 18 PHE H 19 ILE H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 282, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 18 PHE H 81 ILE HA 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1227, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 18 PHE H 81 ILE QG2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1231,1232,1233,
 &end
#
# 18 PHE H 82 ASN H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1244, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 18 PHE H 82 ASN HA 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1246, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 18 PHE H 82 ASN QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1253,1254,
 &end
#
# 18 PHE H 83 LEU H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1258, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 18 PHE H 84 ALA H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1277, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 18 PHE H 84 ALA HA 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1279, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 18 PHE H 84 ALA QB 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1281,1282,1283,
 &end
#
# 18 PHE HA 18 PHE QD 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 270, 278,
 &end
#
# 18 PHE HA 18 PHE QE 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 272, 276,
 &end
#
# 18 PHE HA 19 ILE QD1 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 295, 296, 297,
 &end
#
# 18 PHE HA 52 ALA H 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 796, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 18 PHE HA 53 PHE HA 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 808, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 18 PHE HA 53 PHE QD 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 814, 822,
 &end
#
# 18 PHE HA 54 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 PHE HA 84 ALA HA 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,1279, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 18 PHE HA 84 ALA QB 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1281,1282,1283,
 &end
#
# 18 PHE HZ 20 GLY HA2 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 303, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 18 PHE HZ 20 GLY HA3 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 304, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 18 PHE HZ 51 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 PHE HZ 51 PHE HB2 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 780, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 18 PHE HZ 51 PHE HB3 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 781, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 18 PHE HZ 91 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 PHE HZ 91 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1388,1389,
 &end
#
# 18 PHE QB 19 ILE H 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 266, 267,
 &end
#
# 18 PHE QB 53 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 266, 267,
 &end
#
# 18 PHE QB 53 PHE HZ 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 266, 267,
 &end
#
# 18 PHE QB 53 PHE QD 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 266, 267,
 igr2= 814, 822,
 &end
#
# 18 PHE QB 82 ASN QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 266, 267,
 igr2=1248,1249,
 &end
#
# 18 PHE QB 84 ALA H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 266, 267,
 &end
#
# 18 PHE QB 84 ALA HA 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 266, 267,
 &end
#
# 18 PHE QB 84 ALA QB 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 266, 267,
 igr2=1281,1282,1283,
 &end
#
# 18 PHE QD 19 ILE H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 270, 278,
 &end
#
# 18 PHE QD 20 GLY H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 270, 278,
 &end
#
# 18 PHE QD 20 GLY HA2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 270, 278,
 &end
#
# 18 PHE QD 20 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 270, 278,
 &end
#
# 18 PHE QD 52 ALA H 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 270, 278,
 &end
#
# 18 PHE QD 53 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 270, 278,
 &end
#
# 18 PHE QD 53 PHE QD 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 270, 278,
 igr2= 814, 822,
 &end
#
# 18 PHE QD 81 ILE HA 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 270, 278,
 &end
#
# 18 PHE QD 82 ASN H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 270, 278,
 &end
#
# 18 PHE QD 82 ASN QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 270, 278,
 igr2=1248,1249,
 &end
#
# 18 PHE QD 82 ASN QD2 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 270, 278,
 igr2=1253,1254,
 &end
#
# 18 PHE QD 84 ALA HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 270, 278,
 &end
#
# 18 PHE QD 91 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 270, 278,
 &end
#
# 18 PHE QE 20 GLY HA2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 272, 276,
 &end
#
# 18 PHE QE 20 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 272, 276,
 &end
#
# 18 PHE QE 51 PHE HB2 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 272, 276,
 &end
#
# 18 PHE QE 51 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 272, 276,
 &end
#
# 19 ILE H 19 ILE HB 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 19 ILE H 19 ILE HG12 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 292, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 19 ILE H 19 ILE HG13 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 293, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 19 ILE H 19 ILE QD1 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 295, 296, 297,
 &end
#
# 19 ILE H 19 ILE QG2 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 288, 289, 290,
 &end
#
# 19 ILE H 20 GLY H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 301, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 19 ILE H 51 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ILE H 52 ALA H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 796, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 19 ILE H 53 PHE HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 808, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 19 ILE HA 19 ILE HG12 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 292, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 19 ILE HA 19 ILE HG13 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 293, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 19 ILE HA 19 ILE QD1 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 295, 296, 297,
 &end
#
# 19 ILE HA 19 ILE QG2 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 288, 289, 290,
 &end
#
# 19 ILE HA 20 GLY H 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 301, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 19 ILE HA 36 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 557, 561,
 &end
#
# 19 ILE HA 79 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ILE HA 80 ASP H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1213, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 19 ILE HA 81 ILE HA 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1227, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 19 ILE HA 81 ILE HB 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1229, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 19 ILE HA 81 ILE HG12 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1235, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 19 ILE HA 81 ILE HG13 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1236, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 19 ILE HA 81 ILE QD1 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1238,1239,1240,
 &end
#
# 19 ILE HA 81 ILE QG2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1231,1232,1233,
 &end
#
# 19 ILE HA 82 ASN H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1244, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 19 ILE HB 19 ILE QD1 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 295, 296, 297,
 &end
#
# 19 ILE HB 20 GLY H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 301, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 19 ILE HB 20 GLY HA2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ILE HB 22 LEU QQD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 19 ILE HB 36 PHE HZ 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 559, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 19 ILE HB 36 PHE QE 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 557, 561,
 &end
#
# 19 ILE HB 52 ALA H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 796, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 19 ILE HB 53 PHE HA 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 808, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 19 ILE HB 81 ILE HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 286,1227, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 19 ILE HB 81 ILE HG12 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 286,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ILE HG12 32 VAL QQG 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 19 ILE HG12 36 PHE HZ 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 559, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 19 ILE HG12 36 PHE QD 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 555, 563,
 &end
#
# 19 ILE HG12 36 PHE QE 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 557, 561,
 &end
#
# 19 ILE HG12 81 ILE HA 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1227, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 19 ILE HG12 81 ILE HG12 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1235, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 ILE HG13 20 GLY H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 301, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 19 ILE HG13 36 PHE HZ 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 ILE HG13 36 PHE QD 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 555, 563,
 &end
#
# 19 ILE HG13 36 PHE QE 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 557, 561,
 &end
#
# 19 ILE HG13 81 ILE HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,1227, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 19 ILE HG13 81 ILE HG12 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,1235, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 19 ILE HG13 81 ILE HG13 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,1236, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 19 ILE HG13 81 ILE QD1 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1238,1239,1240,
 &end
#
# 19 ILE HG13 81 ILE QG2 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1231,1232,1233,
 &end
#
# 19 ILE QD1 22 LEU QQD 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr1= 295, 296, 297,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 19 ILE QD1 32 VAL HA 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 32 VAL HB 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 32 VAL QQG 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 295, 296, 297,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 19 ILE QD1 35 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 295, 296, 297,
 igr2= 534, 535, 536,
 &end
#
# 19 ILE QD1 36 PHE HB2 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 36 PHE HB3 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 36 PHE HZ 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 36 PHE QD 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 295, 296, 297,
 igr2= 555, 563,
 &end
#
# 19 ILE QD1 36 PHE QE 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 295, 296, 297,
 igr2= 557, 561,
 &end
#
# 19 ILE QD1 47 VAL HA 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 47 VAL QQG 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
 igr1= 295, 296, 297,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 19 ILE QD1 52 ALA H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 52 ALA HA 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 52 ALA QB 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 295, 296, 297,
 igr2= 800, 801, 802,
 &end
#
# 19 ILE QD1 53 PHE H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 53 PHE HA 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 54 VAL H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 54 VAL HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 54 VAL HB 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 54 VAL QQG 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 295, 296, 297,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 19 ILE QD1 56 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 295, 296, 297,
 igr2= 869, 874,
 &end
#
# 19 ILE QD1 65 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= 295, 296, 297,
 igr2=1011,1012,1013,
 &end
#
# 19 ILE QD1 79 LEU QQD 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1= 295, 296, 297,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 19 ILE QD1 81 ILE HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 81 ILE HG12 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 81 ILE HG13 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1236, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 295, 296, 297,
 &end
#
# 19 ILE QD1 81 ILE QD1 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 295, 296, 297,
 igr2=1238,1239,1240,
 &end
#
# 19 ILE QD1 81 ILE QG2 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 295, 296, 297,
 igr2=1231,1232,1233,
 &end
#
# 19 ILE QG2 19 ILE HG12 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 19 ILE HG13 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 19 ILE QD1 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 288, 289, 290,
 igr2= 295, 296, 297,
 &end
#
# 19 ILE QG2 20 GLY H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 20 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 22 LEU H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 22 LEU HA 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 22 LEU HB2 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 22 LEU HG 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 22 LEU QQD 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 288, 289, 290,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 19 ILE QG2 36 PHE HZ 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 36 PHE QE 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 288, 289, 290,
 igr2= 557, 561,
 &end
#
# 19 ILE QG2 51 PHE HA 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 52 ALA H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 72 ARG HD2 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 74 ILE QD1 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 288, 289, 290,
 igr2=1138,1139,1140,
 &end
#
# 19 ILE QG2 79 LEU HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 79 LEU HB2 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 79 LEU HB3 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 79 LEU HG 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 79 LEU QQD 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 288, 289, 290,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 19 ILE QG2 80 ASP H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 81 ILE HA 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 81 ILE HG12 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 81 ILE HG13 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1236, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 288, 289, 290,
 &end
#
# 19 ILE QG2 81 ILE QD1 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 288, 289, 290,
 igr2=1238,1239,1240,
 &end
#
# 19 ILE QG2 81 ILE QG2 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 288, 289, 290,
 igr2=1231,1232,1233,
 &end
#
# 20 GLY H 21 ASN H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 20 GLY H 51 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 GLY H 52 ALA H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 20 GLY H 80 ASP H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1213, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 20 GLY H 80 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 GLY H 80 ASP QB 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1217,1218,
 &end
#
# 20 GLY H 81 ILE HA 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1227, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 20 GLY H 81 ILE HG13 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1236, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 20 GLY H 81 ILE QG2 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1231,1232,1233,
 &end
#
# 20 GLY HA2 22 LEU H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 322, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 20 GLY HA2 22 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 GLY HA2 51 PHE HA 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 778, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 20 GLY HA2 51 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 784, 792,
 &end
#
# 20 GLY HA2 52 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 800, 801, 802,
 &end
#
# 20 GLY HA3 21 ASN HA 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 310, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 20 GLY HA3 22 LEU H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 322, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 20 GLY HA3 51 PHE HA 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 778, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 20 GLY HA3 51 PHE HB2 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 780, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 20 GLY HA3 51 PHE HB3 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 781, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 20 GLY HA3 52 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 ASN H 80 ASP H 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 308,1213, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 21 ASN HA 22 LEU H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 322, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 21 ASN HA 22 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 ASN HA 22 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 ASN HA 50 GLY QA 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 771, 772,
 &end
#
# 21 ASN HA 77 GLN HE22 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 21 ASN HA 79 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 21 ASN HA 80 ASP QB 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=1217,1218,
 &end
#
# 21 ASN HB2 21 ASN HD22 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 317, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 21 ASN HB2 22 LEU H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 322, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 21 ASN HB2 80 ASP H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 312,1213, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 21 ASN HB2 80 ASP HA 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 312,1215, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 21 ASN HB2 80 ASP QB 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1217,1218,
 &end
#
# 21 ASN HB3 21 ASN HD21 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 ASN HB3 79 LEU HA 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,1196, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 21 ASN HB3 79 LEU QQD 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 21 ASN HB3 80 ASP H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,1213, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 21 ASN HB3 80 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1218,
 &end
#
# 21 ASN HD21 77 GLN HG2 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,1168, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 21 ASN HD21 78 VAL HB 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,1182, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 21 ASN HD21 78 VAL QQG 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 21 ASN HD21 79 LEU HA 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,1196, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 21 ASN HD21 80 ASP H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,1213, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 21 ASN HD22 77 GLN HA 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,1163, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 21 ASN HD22 77 GLN HE21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,1174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 ASN HD22 77 GLN HG3 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,1169, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 21 ASN HD22 78 VAL H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,1178, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 21 ASN HD22 78 VAL HB 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,1182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 21 ASN HD22 78 VAL QQG 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 21 ASN HD22 79 LEU HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,1196, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 21 ASN HD22 79 LEU QQD 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 22 LEU H 22 LEU HB2 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 22 LEU H 22 LEU HB3 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 22 LEU H 22 LEU HG 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 329, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 22 LEU H 23 ASN H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 341, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 22 LEU H 50 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 LEU H 50 GLY QA 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 771, 772,
 &end
#
# 22 LEU H 51 PHE HA 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 778, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 22 LEU H 51 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 LEU H 51 PHE HB3 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 781, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 22 LEU H 52 ALA H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 796, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 22 LEU H 80 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 LEU HA 22 LEU HG 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 329, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 22 LEU HA 22 LEU QQD 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU HA 23 ASN H 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 22 LEU HA 23 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 LEU HA 24 THR H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 355, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 22 LEU HA 24 THR QG2 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 361, 362, 363,
 &end
#
# 22 LEU HA 51 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 LEU HA 74 ILE QG2 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1131,1132,1133,
 &end
#
# 22 LEU HA 77 GLN HE22 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,1173, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 22 LEU HA 79 LEU HA 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,1196, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 22 LEU HA 79 LEU HB3 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,1199, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 22 LEU HA 79 LEU QQD 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 22 LEU HB2 22 LEU QQD 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU HB2 50 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 771, 772,
 &end
#
# 22 LEU HB2 51 PHE HA 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 778, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 22 LEU HB2 51 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 LEU HB2 52 ALA H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 796, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 22 LEU HB3 22 LEU QQD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU HB3 23 ASN H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 341, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 22 LEU HB3 24 THR H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 355, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 22 LEU HB3 51 PHE H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 776, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 22 LEU HB3 51 PHE HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 778, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 22 LEU HB3 51 PHE HB3 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 781, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 22 LEU HG 23 ASN H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 341, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 22 LEU HG 23 ASN HB3 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 346, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 22 LEU HG 24 THR H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 355, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 22 LEU HG 24 THR HA 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 357, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 22 LEU HG 24 THR QG2 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr2= 361, 362, 363,
 &end
#
# 22 LEU HG 27 VAL HB 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 408, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 22 LEU HG 77 GLN HE22 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 329,1173, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 22 LEU QQD 23 ASN H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 23 ASN HB3 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 24 THR H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 24 THR HA 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 24 THR HB 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 24 THR QG2 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 361, 362, 363,
 &end
#
# 22 LEU QQD 26 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 27 VAL H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 27 VAL HB 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 27 VAL QQG 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
# 22 LEU QQD 32 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 32 VAL QQG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 22 LEU QQD 36 PHE QE 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 557, 561,
 &end
#
# 22 LEU QQD 47 VAL HA 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 47 VAL HB 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 47 VAL QQG 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 22 LEU QQD 48 HIS H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 49 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 50 GLY H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 50 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 771, 772,
 &end
#
# 22 LEU QQD 51 PHE H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 51 PHE HA 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 51 PHE HB2 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 51 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 52 ALA H 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 52 ALA HA 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 52 ALA QB 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 800, 801, 802,
 &end
#
# 22 LEU QQD 74 ILE HB 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 74 ILE QD1 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2=1138,1139,1140,
 &end
#
# 22 LEU QQD 74 ILE QG2 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2=1131,1132,1133,
 &end
#
# 22 LEU QQD 75 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2=1148,1149,1150,
 &end
#
# 22 LEU QQD 79 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 22 LEU QQD 79 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 ASN H 23 ASN HB2 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 345, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 23 ASN H 23 ASN HB3 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 346, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 23 ASN H 23 ASN HD21 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 351, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 23 ASN H 24 THR H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 355, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 23 ASN H 24 THR QG2 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 361, 362, 363,
 &end
#
# 23 ASN H 25 LEU H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 369, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 23 ASN H 27 VAL HB 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 23 ASN H 74 ILE QG2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1131,1132,1133,
 &end
#
# 23 ASN H 75 ALA QB 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1148,1149,1150,
 &end
#
# 23 ASN H 77 GLN H 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,1161, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 23 ASN H 77 GLN HE21 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,1174, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 23 ASN H 77 GLN HE22 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,1173, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 23 ASN H 77 GLN QB 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1165,1166,
 &end
#
# 23 ASN H 79 LEU QQD 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 23 ASN HA 23 ASN HD21 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 351, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 23 ASN HA 23 ASN HD22 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 350, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 23 ASN HA 24 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 ASN HA 24 THR QG2 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 361, 362, 363,
 &end
#
# 23 ASN HA 25 LEU H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 369, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 23 ASN HA 25 LEU QQD 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 23 ASN HA 74 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1131,1132,1133,
 &end
#
# 23 ASN HA 75 ALA QB 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1148,1149,1150,
 &end
#
# 23 ASN HA 77 GLN HE22 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,1173, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 23 ASN HA 77 GLN QB 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1165,1166,
 &end
#
# 23 ASN HB2 23 ASN HD21 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 351, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 23 ASN HB2 23 ASN HD22 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 350, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 23 ASN HB2 24 THR H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 355, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 23 ASN HB2 25 LEU H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 369, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 23 ASN HB2 26 VAL H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 388, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 23 ASN HB2 26 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 ASN HB2 27 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 ASN HB2 27 VAL QQG 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
# 23 ASN HB2 74 ILE QG2 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1131,1132,1133,
 &end
#
# 23 ASN HB2 75 ALA HA 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1146, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 23 ASN HB2 75 ALA QB 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1148,1149,1150,
 &end
#
# 23 ASN HB2 77 GLN H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1161, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 23 ASN HB2 77 GLN HE21 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1174, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 23 ASN HB2 77 GLN HE22 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1173, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 23 ASN HB2 77 GLN QB 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1165,1166,
 &end
#
# 23 ASN HB2 79 LEU QQD 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 23 ASN HB3 23 ASN HD21 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 351, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 23 ASN HB3 23 ASN HD22 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 23 ASN HB3 24 THR H 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 355, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 23 ASN HB3 25 LEU H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 369, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 23 ASN HB3 25 LEU HB2 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 373, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 23 ASN HB3 26 VAL H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 388, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 23 ASN HB3 26 VAL HB 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 392, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 23 ASN HB3 26 VAL QQG 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 23 ASN HB3 27 VAL H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 404, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 23 ASN HB3 27 VAL QQG 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
# 23 ASN HB3 74 ILE QG2 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1131,1132,1133,
 &end
#
# 23 ASN HB3 75 ALA HA 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1146, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 23 ASN HB3 75 ALA QB 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1148,1149,1150,
 &end
#
# 23 ASN HB3 77 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 ASN HB3 77 GLN HE22 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1173, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 23 ASN HB3 77 GLN QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1165,1166,
 &end
#
# 23 ASN HD21 24 THR H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 355, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 23 ASN HD21 24 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 ASN HD21 25 LEU QQD 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 23 ASN HD21 26 VAL HB 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 392, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 23 ASN HD21 26 VAL QQG 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 23 ASN HD21 27 VAL H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 404, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 23 ASN HD21 75 ALA QB 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1148,1149,1150,
 &end
#
# 23 ASN HD22 25 LEU H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 369, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 23 ASN HD22 25 LEU HB2 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 373, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 23 ASN HD22 25 LEU HB3 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 374, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 23 ASN HD22 25 LEU QQD 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 23 ASN HD22 26 VAL H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 388, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 23 ASN HD22 26 VAL HB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 392, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 23 ASN HD22 26 VAL QQG 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 23 ASN HD22 27 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 ASN HD22 75 ALA HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 350,1146, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 23 ASN HD22 75 ALA QB 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1148,1149,1150,
 &end
#
# 23 ASN HD22 77 GLN QB 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1165,1166,
 &end
#
# 24 THR H 24 THR QG2 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 361, 362, 363,
 &end
#
# 24 THR H 25 LEU H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 369, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 24 THR H 25 LEU HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 24 THR H 26 VAL H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 388, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 24 THR H 27 VAL HB 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 408, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 24 THR H 27 VAL QQG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
# 24 THR H 74 ILE QG2 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1131,1132,1133,
 &end
#
# 24 THR H 75 ALA QB 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1148,1149,1150,
 &end
#
# 24 THR H 77 GLN HE22 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,1173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 24 THR HA 24 THR HB 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 24 THR HA 24 THR QG2 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 361, 362, 363,
 &end
#
# 24 THR HA 26 VAL H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 388, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 24 THR HA 27 VAL H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 404, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 24 THR HA 27 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 THR HA 27 VAL HB 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 408, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 24 THR HA 27 VAL QQG 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
# 24 THR HA 28 LYS HA 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 422, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 24 THR HA 47 VAL QQG 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 24 THR HB 25 LEU H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 369, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 24 THR HB 25 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 THR HB 26 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 THR HB 27 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 THR HB 47 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 THR HB 47 VAL QQG 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 24 THR HB 49 LYS HA 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 749, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 24 THR QG2 25 LEU H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 361, 362, 363,
 &end
#
# 24 THR QG2 26 VAL H 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 361, 362, 363,
 &end
#
# 24 THR QG2 27 VAL HB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 361, 362, 363,
 &end
#
# 24 THR QG2 28 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 361, 362, 363,
 &end
#
# 24 THR QG2 48 HIS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 361, 362, 363,
 &end
#
# 24 THR QG2 49 LYS HA 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 361, 362, 363,
 &end
#
# 24 THR QG2 50 GLY H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 361, 362, 363,
 &end
#
# 24 THR QG2 50 GLY QA 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 361, 362, 363,
 igr2= 771, 772,
 &end
#
# 24 THR QG2 51 PHE H 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 361, 362, 363,
 &end
#
# 24 THR QG2 51 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 361, 362, 363,
 &end
#
# 24 THR QG2 77 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 361, 362, 363,
 &end
#
# 25 LEU H 25 LEU HA 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 371, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 25 LEU H 25 LEU HB2 2.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11,  &end
#
# 25 LEU H 25 LEU QQD 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 25 LEU H 26 VAL H 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 388, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 25 LEU H 27 VAL H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 404, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 25 LEU H 75 ALA QB 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1148,1149,1150,
 &end
#
# 25 LEU HA 25 LEU HB3 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 374, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 25 LEU HA 25 LEU HG 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 376, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 25 LEU HA 25 LEU QQD 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 25 LEU HA 26 VAL H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 388, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 25 LEU HB2 25 LEU QQD 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 25 LEU HB2 26 VAL H 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 388, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 25 LEU HB2 26 VAL HA 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 390, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 25 LEU HB2 26 VAL HB 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 392, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 25 LEU HB2 27 VAL H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 404, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 25 LEU HB3 25 LEU QQD 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 25 LEU HB3 26 VAL H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 388, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 25 LEU HB3 26 VAL HA 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 390, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 25 LEU QQD 26 VAL H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 378, 379, 380, 382, 383, 384,
 &end
#
# 26 VAL H 26 VAL HB 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 26 VAL H 26 VAL QQG 2.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 26 VAL H 27 VAL H 2.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 404, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11,  &end
#
# 26 VAL H 27 VAL HA 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 406, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 26 VAL H 75 ALA QB 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1148,1149,1150,
 &end
#
# 26 VAL HA 26 VAL QQG 2.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 26 VAL HA 28 LYS QE 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 433, 434,
 &end
#
# 26 VAL HA 75 ALA QB 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1148,1149,1150,
 &end
#
# 26 VAL HB 27 VAL H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 26 VAL HB 27 VAL HA 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 406, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 26 VAL HB 75 ALA HA 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 392,1146, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 26 VAL QQG 75 ALA HA 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 394, 395, 396, 398, 399, 400,
 &end
#
# 26 VAL QQG 75 ALA QB 2.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 394, 395, 396, 398, 399, 400,
 igr2=1148,1149,1150,
 &end
#
# 27 VAL H 27 VAL HB 2.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
# 27 VAL H 27 VAL QQG 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL H 28 LYS H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 27 VAL H 75 ALA QB 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1148,1149,1150,
 &end
#
# 27 VAL HA 27 VAL QQG 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL HA 28 LYS H 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 27 VAL HA 28 LYS HA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 422, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 27 VAL HA 28 LYS QB 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 424, 425,
 &end
#
# 27 VAL HA 28 LYS QD 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 430, 431,
 &end
#
# 27 VAL HA 28 LYS QG 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 427, 428,
 &end
#
# 27 VAL HA 31 ASP HB2 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 479, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 27 VAL HA 31 ASP HB3 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 480, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 27 VAL HB 31 ASP HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 VAL HB 32 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 27 VAL HB 74 ILE QG2 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1131,1132,1133,
 &end
#
# 27 VAL QQG 28 LYS H 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL QQG 28 LYS QB 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 410, 411, 412, 414, 415, 416,
 igr2= 424, 425,
 &end
#
# 27 VAL QQG 28 LYS QG 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 410, 411, 412, 414, 415, 416,
 igr2= 427, 428,
 &end
#
# 27 VAL QQG 29 LYS H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL QQG 29 LYS HA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL QQG 30 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL QQG 31 ASP HA 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL QQG 31 ASP HB2 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL QQG 31 ASP HB3 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL QQG 32 VAL H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL QQG 32 VAL HA 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL QQG 32 VAL HB 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
# 27 VAL QQG 32 VAL QQG 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 410, 411, 412, 414, 415, 416,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 27 VAL QQG 35 ILE QG2 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 410, 411, 412, 414, 415, 416,
 igr2= 534, 535, 536,
 &end
#
# 27 VAL QQG 47 VAL QQG 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 410, 411, 412, 414, 415, 416,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 27 VAL QQG 52 ALA QB 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 410, 411, 412, 414, 415, 416,
 igr2= 800, 801, 802,
 &end
#
# 28 LYS H 28 LYS QB 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 424, 425,
 &end
#
# 28 LYS H 28 LYS QD 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 430, 431,
 &end
#
# 28 LYS H 28 LYS QE 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 433, 434,
 &end
#
# 28 LYS H 28 LYS QG 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 427, 428,
 &end
#
# 28 LYS H 29 LYS HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 444, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 28 LYS H 30 SER H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 464, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 28 LYS H 31 ASP H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 475, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 28 LYS H 31 ASP HB2 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 479, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 28 LYS H 31 ASP HB3 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 480, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 28 LYS H 32 VAL H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 487, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 28 LYS H 32 VAL QQG 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 28 LYS H 47 VAL QQG 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 28 LYS HA 28 LYS QD 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 430, 431,
 &end
#
# 28 LYS HA 28 LYS QE 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 433, 434,
 &end
#
# 28 LYS HA 28 LYS QG 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 427, 428,
 &end
#
# 28 LYS HA 29 LYS H 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 442, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 28 LYS HA 29 LYS HA 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 444, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 28 LYS HA 29 LYS HD2 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 452, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 28 LYS HA 30 SER H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 464, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 28 LYS HA 31 ASP H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 475, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 28 LYS HA 47 VAL QQG 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 28 LYS HA 52 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 800, 801, 802,
 &end
#
# 28 LYS QB 28 LYS QD 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 424, 425,
 igr2= 430, 431,
 &end
#
# 28 LYS QB 28 LYS QE 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 424, 425,
 igr2= 433, 434,
 &end
#
# 28 LYS QB 28 LYS QG 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 424, 425,
 igr2= 427, 428,
 &end
#
# 28 LYS QB 29 LYS H 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr1= 424, 425,
 &end
#
# 28 LYS QB 29 LYS HG2 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 424, 425,
 &end
#
# 28 LYS QB 30 SER H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 424, 425,
 &end
#
# 28 LYS QB 30 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 424, 425,
 igr2= 468, 469,
 &end
#
# 28 LYS QB 31 ASP H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 424, 425,
 &end
#
# 28 LYS QB 31 ASP HB3 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 424, 425,
 &end
#
# 28 LYS QB 32 VAL H 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 424, 425,
 &end
#
# 28 LYS QD 28 LYS QE 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 430, 431,
 igr2= 433, 434,
 &end
#
# 28 LYS QD 31 ASP HB2 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 430, 431,
 &end
#
# 28 LYS QG 28 LYS QD 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1= 427, 428,
 igr2= 430, 431,
 &end
#
# 28 LYS QG 28 LYS QE 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 427, 428,
 igr2= 433, 434,
 &end
#
# 28 LYS QG 29 LYS H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 427, 428,
 &end
#
# 28 LYS QG 30 SER H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 427, 428,
 &end
#
# 28 LYS QG 30 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 427, 428,
 igr2= 468, 469,
 &end
#
# 29 LYS H 29 LYS HB2 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 446, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 29 LYS H 29 LYS HB3 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 447, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 29 LYS H 29 LYS HD2 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 452, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 29 LYS H 29 LYS HG2 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 449, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 29 LYS H 29 LYS HG3 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 450, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 29 LYS H 30 SER H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 29 LYS H 30 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LYS H 30 SER QB 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 468, 469,
 &end
#
# 29 LYS H 31 ASP H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 475, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 29 LYS H 32 VAL H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 487, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 29 LYS H 47 VAL HB 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 718, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 29 LYS H 47 VAL QQG 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 29 LYS HA 29 LYS HD2 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 29 LYS HA 29 LYS HD3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LYS HA 29 LYS HG2 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 29 LYS HA 29 LYS HG3 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 450, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 29 LYS HA 29 LYS QE 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 455, 456,
 &end
#
# 29 LYS HA 30 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LYS HA 31 ASP H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 475, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 29 LYS HA 32 VAL H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 487, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 29 LYS HA 32 VAL HB 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 491, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 29 LYS HA 32 VAL QQG 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 29 LYS HA 33 GLU H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 503, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 29 LYS HA 45 CYS QB 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 696, 697,
 &end
#
# 29 LYS HA 47 VAL H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 714, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 29 LYS HA 47 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 716, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LYS HA 47 VAL HB 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 718, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 29 LYS HA 47 VAL QQG 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 29 LYS HA 54 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 29 LYS HB2 29 LYS QE 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 455, 456,
 &end
#
# 29 LYS HB2 30 SER H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 464, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 29 LYS HB2 46 SER HA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 705, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 29 LYS HB2 47 VAL QQG 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 29 LYS HB3 45 CYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 696, 697,
 &end
#
# 29 LYS HB3 46 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LYS HB3 47 VAL H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 714, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 29 LYS HB3 47 VAL QQG 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 29 LYS HD2 30 SER H 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 29 LYS HD2 47 VAL H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 714, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 29 LYS HD2 47 VAL QQG 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 29 LYS HD3 46 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LYS HD3 47 VAL QQG 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 29 LYS HG2 29 LYS QE 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 455, 456,
 &end
#
# 29 LYS HG2 30 SER H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 464, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 29 LYS HG2 47 VAL QQG 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 29 LYS HG3 29 LYS QE 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 455, 456,
 &end
#
# 29 LYS HG3 30 SER H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 29 LYS HG3 30 SER HA 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 466, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 29 LYS QE 46 SER HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 455, 456,
 &end
#
# 29 LYS QE 46 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 455, 456,
 igr2= 707, 708,
 &end
#
# 29 LYS QE 47 VAL H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 455, 456,
 &end
#
# 29 LYS QE 47 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 455, 456,
 &end
#
# 29 LYS QE 47 VAL QQG 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 455, 456,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 30 SER H 30 SER QB 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 468, 469,
 &end
#
# 30 SER H 31 ASP H 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 30 SER H 31 ASP HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 477, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 30 SER H 31 ASP HB2 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 479, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 30 SER H 31 ASP HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 SER H 32 VAL H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 487, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 30 SER H 32 VAL QQG 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 30 SER H 47 VAL QQG 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 30 SER HA 30 SER QB 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 468, 469,
 &end
#
# 30 SER HA 31 ASP H 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 475, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 30 SER HA 31 ASP HA 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 477, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 30 SER HA 32 VAL H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 487, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 30 SER HA 33 GLU QB 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 507, 508,
 &end
#
# 30 SER HA 33 GLU QG 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 510, 511,
 &end
#
# 30 SER HA 34 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 522, 523, 524,
 &end
#
# 30 SER QB 31 ASP H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 468, 469,
 &end
#
# 31 ASP H 31 ASP HB2 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 479, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 31 ASP H 31 ASP HB3 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 31 ASP H 32 VAL H 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 487, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 31 ASP H 32 VAL HA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 489, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 31 ASP H 32 VAL QQG 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 31 ASP H 33 GLU H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 503, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 31 ASP H 34 ALA H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 518, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 31 ASP H 34 ALA QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 522, 523, 524,
 &end
#
# 31 ASP H 35 ILE QD1 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 541, 542, 543,
 &end
#
# 31 ASP HA 32 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ASP HA 32 VAL QQG 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 31 ASP HA 33 GLU H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 503, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 31 ASP HA 34 ALA H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 518, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 31 ASP HA 34 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ASP HA 34 ALA QB 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 522, 523, 524,
 &end
#
# 31 ASP HA 35 ILE H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 528, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 31 ASP HA 35 ILE QD1 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 541, 542, 543,
 &end
#
# 31 ASP HB2 32 VAL H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 31 ASP HB2 32 VAL QQG 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 31 ASP HB2 34 ALA QB 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 522, 523, 524,
 &end
#
# 31 ASP HB2 35 ILE QD1 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 541, 542, 543,
 &end
#
# 31 ASP HB3 32 VAL H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 31 ASP HB3 32 VAL QQG 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 31 ASP HB3 33 GLU H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 503, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 31 ASP HB3 34 ALA H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 518, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 31 ASP HB3 34 ALA QB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 522, 523, 524,
 &end
#
# 31 ASP HB3 35 ILE QD1 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 541, 542, 543,
 &end
#
# 31 ASP HB3 35 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 534, 535, 536,
 &end
#
# 32 VAL H 32 VAL HB 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 32 VAL H 32 VAL QQG 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL H 33 GLU H 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 503, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 32 VAL H 33 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
# 32 VAL H 34 ALA H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 518, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 32 VAL H 35 ILE QD1 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 541, 542, 543,
 &end
#
# 32 VAL H 45 CYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 696, 697,
 &end
#
# 32 VAL H 54 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 32 VAL HA 32 VAL QQG 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL HA 33 GLU H 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 503, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 32 VAL HA 33 GLU HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 505, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 32 VAL HA 33 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
# 32 VAL HA 34 ALA H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 518, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 32 VAL HA 35 ILE H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 528, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 32 VAL HA 35 ILE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 530, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 VAL HA 35 ILE HB 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 532, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 32 VAL HA 35 ILE HG13 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 539, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 32 VAL HA 35 ILE QD1 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 541, 542, 543,
 &end
#
# 32 VAL HA 35 ILE QG2 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 534, 535, 536,
 &end
#
# 32 VAL HA 36 PHE H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 547, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 32 VAL HA 36 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 VAL HA 36 PHE HZ 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 559, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 32 VAL HA 36 PHE QD 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 555, 563,
 &end
#
# 32 VAL HA 36 PHE QE 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 557, 561,
 &end
#
# 32 VAL HA 52 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 800, 801, 802,
 &end
#
# 32 VAL HA 54 VAL QQG 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 32 VAL HB 33 GLU H 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 503, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 32 VAL HB 36 PHE QD 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 555, 563,
 &end
#
# 32 VAL HB 36 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 557, 561,
 &end
#
# 32 VAL HB 42 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 663, 664, 665,
 &end
#
# 32 VAL HB 47 VAL QQG 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 32 VAL HB 52 ALA QB 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 800, 801, 802,
 &end
#
# 32 VAL QQG 33 GLU H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 33 GLU HA 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 34 ALA H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 35 ILE H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 35 ILE HB 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 35 ILE QD1 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 541, 542, 543,
 &end
#
# 32 VAL QQG 35 ILE QG2 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 534, 535, 536,
 &end
#
# 32 VAL QQG 36 PHE H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 36 PHE HA 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 36 PHE HB2 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 36 PHE HB3 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 36 PHE HZ 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 36 PHE QD 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 555, 563,
 &end
#
# 32 VAL QQG 36 PHE QE 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 557, 561,
 &end
#
# 32 VAL QQG 42 ILE QD1 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 663, 664, 665,
 &end
#
# 32 VAL QQG 45 CYS QB 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 696, 697,
 &end
#
# 32 VAL QQG 46 SER H 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 47 VAL HA 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 47 VAL QQG 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 32 VAL QQG 52 ALA QB 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 800, 801, 802,
 &end
#
# 32 VAL QQG 53 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 VAL QQG 54 VAL QQG 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 32 VAL QQG 56 TYR QE 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 869, 874,
 &end
#
# 33 GLU H 33 GLU QB 2.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
 igr2= 507, 508,
 &end
#
# 33 GLU H 33 GLU QG 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 510, 511,
 &end
#
# 33 GLU H 34 ALA H 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 518, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 33 GLU H 34 ALA QB 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 522, 523, 524,
 &end
#
# 33 GLU H 35 ILE H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 528, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 33 GLU H 42 ILE QD1 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 663, 664, 665,
 &end
#
# 33 GLU H 42 ILE QG2 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 656, 657, 658,
 &end
#
# 33 GLU H 54 VAL QQG 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 33 GLU HA 33 GLU QG 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 510, 511,
 &end
#
# 33 GLU HA 34 ALA H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 518, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 33 GLU HA 34 ALA HA 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 520, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 33 GLU HA 34 ALA QB 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 522, 523, 524,
 &end
#
# 33 GLU HA 35 ILE H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 528, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 33 GLU HA 36 PHE H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 547, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 33 GLU HA 36 PHE HB2 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 551, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 33 GLU HA 36 PHE QD 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 555, 563,
 &end
#
# 33 GLU HA 37 SER H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 567, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 33 GLU HA 37 SER HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 569, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 33 GLU HA 37 SER QB 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 571, 572,
 &end
#
# 33 GLU HA 42 ILE H 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 650, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 33 GLU HA 42 ILE HB 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 654, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 33 GLU HA 42 ILE QD1 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 663, 664, 665,
 &end
#
# 33 GLU HA 42 ILE QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 660, 661,
 &end
#
# 33 GLU HA 42 ILE QG2 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 656, 657, 658,
 &end
#
# 33 GLU HA 45 CYS QB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 696, 697,
 &end
#
# 33 GLU HA 54 VAL QQG 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 33 GLU QB 34 ALA HA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 507, 508,
 &end
#
# 33 GLU QB 34 ALA QB 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 507, 508,
 igr2= 522, 523, 524,
 &end
#
# 33 GLU QB 36 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 507, 508,
 &end
#
# 33 GLU QB 42 ILE QD1 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 507, 508,
 igr2= 663, 664, 665,
 &end
#
# 33 GLU QB 45 CYS QB 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 507, 508,
 igr2= 696, 697,
 &end
#
# 33 GLU QB 54 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 507, 508,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 33 GLU QG 34 ALA H 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 510, 511,
 &end
#
# 33 GLU QG 34 ALA QB 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 510, 511,
 igr2= 522, 523, 524,
 &end
#
# 33 GLU QG 42 ILE QD1 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 510, 511,
 igr2= 663, 664, 665,
 &end
#
# 33 GLU QG 42 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 510, 511,
 igr2= 656, 657, 658,
 &end
#
# 33 GLU QG 45 CYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 510, 511,
 igr2= 696, 697,
 &end
#
# 34 ALA H 34 ALA QB 2.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr2= 522, 523, 524,
 &end
#
# 34 ALA H 35 ILE HA 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 530, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 34 ALA H 35 ILE HB 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 532, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 34 ALA H 35 ILE QD1 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 541, 542, 543,
 &end
#
# 34 ALA H 35 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 534, 535, 536,
 &end
#
# 34 ALA H 36 PHE H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 547, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 34 ALA H 37 SER H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 567, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 34 ALA H 42 ILE QD1 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 663, 664, 665,
 &end
#
# 34 ALA HA 42 ILE QD1 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 663, 664, 665,
 &end
#
# 34 ALA QB 35 ILE H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 522, 523, 524,
 &end
#
# 34 ALA QB 35 ILE HA 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 522, 523, 524,
 &end
#
# 34 ALA QB 35 ILE HG12 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 522, 523, 524,
 &end
#
# 34 ALA QB 35 ILE QD1 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 522, 523, 524,
 igr2= 541, 542, 543,
 &end
#
# 34 ALA QB 35 ILE QG2 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 522, 523, 524,
 igr2= 534, 535, 536,
 &end
#
# 34 ALA QB 36 PHE H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 522, 523, 524,
 &end
#
# 34 ALA QB 37 SER H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 522, 523, 524,
 &end
#
# 35 ILE H 35 ILE HB 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 35 ILE H 35 ILE HG13 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 539, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 35 ILE H 35 ILE QD1 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 541, 542, 543,
 &end
#
# 35 ILE H 35 ILE QG2 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 534, 535, 536,
 &end
#
# 35 ILE H 36 PHE H 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 547, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 35 ILE H 36 PHE HA 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 549, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 35 ILE H 36 PHE HB2 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 551, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 35 ILE H 36 PHE QD 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 555, 563,
 &end
#
# 35 ILE H 36 PHE QE 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 557, 561,
 &end
#
# 35 ILE H 37 SER H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 567, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 35 ILE H 38 LYS H 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 578, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 35 ILE HA 35 ILE HG12 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 538, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 35 ILE HA 35 ILE HG13 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 539, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 35 ILE HA 35 ILE QD1 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 541, 542, 543,
 &end
#
# 35 ILE HA 35 ILE QG2 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 534, 535, 536,
 &end
#
# 35 ILE HA 36 PHE QD 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 555, 563,
 &end
#
# 35 ILE HA 37 SER H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 567, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 35 ILE HA 38 LYS H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 578, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 35 ILE HA 38 LYS QD 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 588, 589,
 &end
#
# 35 ILE HA 38 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 591, 592,
 &end
#
# 35 ILE HB 35 ILE QD1 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 541, 542, 543,
 &end
#
# 35 ILE HB 36 PHE H 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 35 ILE HB 36 PHE HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 35 ILE HB 36 PHE HB2 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 551, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 35 ILE HB 36 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 ILE HB 36 PHE QD 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 555, 563,
 &end
#
# 35 ILE HB 36 PHE QE 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 557, 561,
 &end
#
# 35 ILE HB 37 SER H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 567, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 35 ILE HB 74 ILE QD1 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1138,1139,1140,
 &end
#
# 35 ILE HG13 36 PHE H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 547, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 35 ILE HG13 36 PHE QD 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 555, 563,
 &end
#
# 35 ILE HG13 37 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 ILE QD1 36 PHE QD 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 541, 542, 543,
 igr2= 555, 563,
 &end
#
# 35 ILE QD1 36 PHE QE 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 541, 542, 543,
 igr2= 557, 561,
 &end
#
# 35 ILE QD1 72 ARG HD2 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 541, 542, 543,
 &end
#
# 35 ILE QD1 74 ILE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 541, 542, 543,
 &end
#
# 35 ILE QG2 35 ILE HG12 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 35 ILE HG13 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 35 ILE QD1 2.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 534, 535, 536,
 igr2= 541, 542, 543,
 &end
#
# 35 ILE QG2 36 PHE H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 36 PHE HA 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 36 PHE HB2 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 36 PHE HB3 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 36 PHE HZ 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 36 PHE QD 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 534, 535, 536,
 igr2= 555, 563,
 &end
#
# 35 ILE QG2 36 PHE QE 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 534, 535, 536,
 igr2= 557, 561,
 &end
#
# 35 ILE QG2 37 SER H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 38 LYS H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 38 LYS QD 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 534, 535, 536,
 igr2= 588, 589,
 &end
#
# 35 ILE QG2 38 LYS QE 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 534, 535, 536,
 igr2= 591, 592,
 &end
#
# 35 ILE QG2 39 TYR QE 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 534, 535, 536,
 igr2= 610, 615,
 &end
#
# 35 ILE QG2 69 GLU HA 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 69 GLU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 69 GLU HB3 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 69 GLU QG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 534, 535, 536,
 igr2=1057,1058,
 &end
#
# 35 ILE QG2 72 ARG HD2 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 72 ARG HD3 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1095, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 72 ARG HE 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 72 ARG HG2 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 74 ILE HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 74 ILE HG12 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 74 ILE HG13 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 534, 535, 536,
 &end
#
# 35 ILE QG2 74 ILE QD1 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 534, 535, 536,
 igr2=1138,1139,1140,
 &end
#
# 36 PHE H 36 PHE HB2 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 36 PHE H 36 PHE QD 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
 igr2= 555, 563,
 &end
#
# 36 PHE H 37 SER H 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 567, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 36 PHE H 37 SER HA 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 569, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 36 PHE H 37 SER QB 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 571, 572,
 &end
#
# 36 PHE H 38 LYS H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 578, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 36 PHE H 39 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 600, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 PHE H 39 TYR QE 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 610, 615,
 &end
#
# 36 PHE H 42 ILE QD1 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 663, 664, 665,
 &end
#
# 36 PHE H 54 VAL QQG 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 36 PHE HA 36 PHE QD 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 555, 563,
 &end
#
# 36 PHE HA 36 PHE QE 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 557, 561,
 &end
#
# 36 PHE HA 37 SER H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 567, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 36 PHE HA 38 LYS H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 578, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 36 PHE HA 38 LYS HG3 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 586, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 36 PHE HA 39 TYR H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 600, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 36 PHE HA 39 TYR HB2 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 604, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 36 PHE HA 39 TYR HB3 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 605, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 36 PHE HA 39 TYR QD 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 608, 617,
 &end
#
# 36 PHE HA 39 TYR QE 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 610, 615,
 &end
#
# 36 PHE HA 42 ILE QD1 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 663, 664, 665,
 &end
#
# 36 PHE HA 54 VAL QQG 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 36 PHE HA 65 ALA QB 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1011,1012,1013,
 &end
#
# 36 PHE HB2 37 SER H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 567, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 36 PHE HB2 42 ILE QD1 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 663, 664, 665,
 &end
#
# 36 PHE HB2 54 VAL QQG 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 36 PHE HB2 56 TYR QE 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 869, 874,
 &end
#
# 36 PHE HB3 37 SER H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 567, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 36 PHE HB3 37 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 569, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 PHE HB3 38 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 PHE HB3 39 TYR H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 600, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 36 PHE HB3 42 ILE QD1 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 663, 664, 665,
 &end
#
# 36 PHE HB3 42 ILE QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 660, 661,
 &end
#
# 36 PHE HB3 54 VAL QQG 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 36 PHE HB3 65 ALA QB 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1011,1012,1013,
 &end
#
# 36 PHE HZ 52 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 800, 801, 802,
 &end
#
# 36 PHE HZ 69 GLU HA 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,1052, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 36 PHE HZ 69 GLU HB2 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,1054, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 36 PHE HZ 69 GLU HB3 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,1055, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 36 PHE HZ 69 GLU QG 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1057,1058,
 &end
#
# 36 PHE HZ 74 ILE QD1 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1138,1139,1140,
 &end
#
# 36 PHE HZ 79 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 PHE HZ 79 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 PHE HZ 79 LEU QQD 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 36 PHE HZ 81 ILE HG12 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,1235, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 36 PHE HZ 81 ILE HG13 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,1236, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 36 PHE HZ 81 ILE QD1 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1238,1239,1240,
 &end
#
# 36 PHE HZ 81 ILE QG2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1231,1232,1233,
 &end
#
# 36 PHE QD 36 PHE HZ 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 555, 563,
 &end
#
# 36 PHE QD 37 SER H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 555, 563,
 &end
#
# 36 PHE QD 39 TYR HB2 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 555, 563,
 &end
#
# 36 PHE QD 42 ILE QD1 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 555, 563,
 igr2= 663, 664, 665,
 &end
#
# 36 PHE QD 42 ILE QG2 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1= 555, 563,
 igr2= 656, 657, 658,
 &end
#
# 36 PHE QD 52 ALA QB 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 555, 563,
 igr2= 800, 801, 802,
 &end
#
# 36 PHE QD 54 VAL HB 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 555, 563,
 &end
#
# 36 PHE QD 54 VAL QQG 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 555, 563,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 36 PHE QD 56 TYR QE 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 555, 563,
 igr2= 869, 874,
 &end
#
# 36 PHE QD 65 ALA HA 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 555, 563,
 &end
#
# 36 PHE QD 65 ALA QB 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 555, 563,
 igr2=1011,1012,1013,
 &end
#
# 36 PHE QD 66 VAL H 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 555, 563,
 &end
#
# 36 PHE QD 69 GLU HB2 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 555, 563,
 &end
#
# 36 PHE QD 69 GLU HB3 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 555, 563,
 &end
#
# 36 PHE QD 69 GLU QG 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 555, 563,
 igr2=1057,1058,
 &end
#
# 36 PHE QD 79 LEU QQD 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 555, 563,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 36 PHE QD 81 ILE QD1 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 555, 563,
 igr2=1238,1239,1240,
 &end
#
# 36 PHE QD 81 ILE QG2 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 555, 563,
 igr2=1231,1232,1233,
 &end
#
# 36 PHE QE 52 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 557, 561,
 igr2= 800, 801, 802,
 &end
#
# 36 PHE QE 54 VAL QQG 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
 igr1= 557, 561,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 36 PHE QE 65 ALA HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 557, 561,
 &end
#
# 36 PHE QE 65 ALA QB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 557, 561,
 igr2=1011,1012,1013,
 &end
#
# 36 PHE QE 66 VAL HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 557, 561,
 &end
#
# 36 PHE QE 69 GLU HA 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 557, 561,
 &end
#
# 36 PHE QE 69 GLU HB2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 557, 561,
 &end
#
# 36 PHE QE 69 GLU HB3 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 557, 561,
 &end
#
# 36 PHE QE 69 GLU QG 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 557, 561,
 igr2=1057,1058,
 &end
#
# 36 PHE QE 70 ASP H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 557, 561,
 &end
#
# 36 PHE QE 72 ARG HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 557, 561,
 &end
#
# 36 PHE QE 74 ILE QD1 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 557, 561,
 igr2=1138,1139,1140,
 &end
#
# 36 PHE QE 79 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 557, 561,
 &end
#
# 36 PHE QE 79 LEU QQD 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 557, 561,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 36 PHE QE 81 ILE HA 5.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 557, 561,
 &end
#
# 36 PHE QE 81 ILE HG12 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 557, 561,
 &end
#
# 36 PHE QE 81 ILE QD1 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 557, 561,
 igr2=1238,1239,1240,
 &end
#
# 36 PHE QE 81 ILE QG2 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 557, 561,
 igr2=1231,1232,1233,
 &end
#
# 37 SER H 37 SER QB 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 571, 572,
 &end
#
# 37 SER H 38 LYS H 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 578, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 37 SER H 38 LYS HA 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 580, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 37 SER H 38 LYS HB3 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 583, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 37 SER H 38 LYS HG2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 585, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 37 SER H 38 LYS QD 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 588, 589,
 &end
#
# 37 SER H 39 TYR H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 600, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 37 SER H 40 GLY H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 621, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 37 SER H 42 ILE QD1 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 663, 664, 665,
 &end
#
# 37 SER H 54 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 37 SER H 56 TYR QE 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 869, 874,
 &end
#
# 37 SER HA 38 LYS H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 578, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 37 SER HA 38 LYS HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 580, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 37 SER HA 39 TYR H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 600, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 37 SER HA 40 GLY H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 621, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 37 SER HA 41 LYS HA 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 630, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 37 SER HA 42 ILE H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 650, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 37 SER HA 42 ILE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 SER HA 42 ILE HB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 654, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 37 SER HA 42 ILE QD1 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 663, 664, 665,
 &end
#
# 37 SER HA 42 ILE QG1 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 660, 661,
 &end
#
# 37 SER HA 42 ILE QG2 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 656, 657, 658,
 &end
#
# 37 SER HA 56 TYR QD 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 867, 876,
 &end
#
# 37 SER HA 56 TYR QE 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 869, 874,
 &end
#
# 37 SER QB 38 LYS H 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 571, 572,
 &end
#
# 37 SER QB 39 TYR H 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 571, 572,
 &end
#
# 37 SER QB 42 ILE QD1 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 571, 572,
 igr2= 663, 664, 665,
 &end
#
# 37 SER QB 42 ILE QG1 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 571, 572,
 igr2= 660, 661,
 &end
#
# 38 LYS H 38 LYS HB3 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 38 LYS H 38 LYS HG2 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 585, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 38 LYS H 38 LYS HG3 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 586, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 38 LYS H 38 LYS QD 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 588, 589,
 &end
#
# 38 LYS H 39 TYR H 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 600, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 38 LYS H 39 TYR HB2 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 604, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 38 LYS H 39 TYR QD 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 608, 617,
 &end
#
# 38 LYS H 39 TYR QE 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 610, 615,
 &end
#
# 38 LYS H 40 GLY H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 621, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 38 LYS HA 38 LYS HB2 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 582, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 38 LYS HA 38 LYS HB3 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 583, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 38 LYS HA 38 LYS HG2 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 38 LYS HA 38 LYS HG3 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 586, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 38 LYS HA 38 LYS QD 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 588, 589,
 &end
#
# 38 LYS HA 38 LYS QE 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 591, 592,
 &end
#
# 38 LYS HA 39 TYR HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 602, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 38 LYS HA 40 GLY H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 621, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 38 LYS HB2 38 LYS QE 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 591, 592,
 &end
#
# 38 LYS HB2 39 TYR H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 600, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 38 LYS HB2 39 TYR QE 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 610, 615,
 &end
#
# 38 LYS HB3 38 LYS QD 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 588, 589,
 &end
#
# 38 LYS HB3 38 LYS QE 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 591, 592,
 &end
#
# 38 LYS HB3 39 TYR H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 600, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 38 LYS HB3 39 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 615,
 &end
#
# 38 LYS HG2 38 LYS QD 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 588, 589,
 &end
#
# 38 LYS HG2 39 TYR H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 600, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 38 LYS HG2 39 TYR QD 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 608, 617,
 &end
#
# 38 LYS HG2 39 TYR QE 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 610, 615,
 &end
#
# 38 LYS HG2 40 GLY H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 621, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 38 LYS HG3 38 LYS QE 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 591, 592,
 &end
#
# 38 LYS HG3 39 TYR H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 600, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 38 LYS HG3 39 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 LYS HG3 39 TYR QE 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 610, 615,
 &end
#
# 38 LYS QD 38 LYS QE 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
 igr1= 588, 589,
 igr2= 591, 592,
 &end
#
# 38 LYS QD 39 TYR H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 588, 589,
 &end
#
# 38 LYS QD 39 TYR QE 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 588, 589,
 igr2= 610, 615,
 &end
#
# 38 LYS QE 39 TYR QE 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 591, 592,
 igr2= 610, 615,
 &end
#
# 39 TYR H 39 TYR HB2 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 39 TYR H 39 TYR HB3 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 605, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 39 TYR H 39 TYR QE 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 610, 615,
 &end
#
# 39 TYR H 40 GLY H 2.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 621, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09,  &end
#
# 39 TYR H 40 GLY QA 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 623, 624,
 &end
#
# 39 TYR H 65 ALA QB 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1011,1012,1013,
 &end
#
# 39 TYR HA 39 TYR QD 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 608, 617,
 &end
#
# 39 TYR HA 39 TYR QE 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 610, 615,
 &end
#
# 39 TYR HA 64 ALA QB 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1001,1002,1003,
 &end
#
# 39 TYR HA 65 ALA QB 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2=1011,1012,1013,
 &end
#
# 39 TYR HB2 40 GLY H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 621, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 39 TYR HB2 56 TYR QE 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 869, 874,
 &end
#
# 39 TYR HB2 64 ALA QB 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1001,1002,1003,
 &end
#
# 39 TYR HB2 65 ALA H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,1007, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 39 TYR HB2 65 ALA HA 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,1009, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 39 TYR HB2 65 ALA QB 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1011,1012,1013,
 &end
#
# 39 TYR HB2 69 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1057,1058,
 &end
#
# 39 TYR HB3 40 GLY H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 621, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 39 TYR HB3 40 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 623, 624,
 &end
#
# 39 TYR HB3 56 TYR QE 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 869, 874,
 &end
#
# 39 TYR HB3 61 ASN HA 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 951, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 39 TYR HB3 64 ALA H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 997, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 39 TYR HB3 64 ALA QB 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=1001,1002,1003,
 &end
#
# 39 TYR HB3 65 ALA H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1007, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 39 TYR HB3 65 ALA HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1009, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 39 TYR HB3 65 ALA QB 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1011,1012,1013,
 &end
#
# 39 TYR QD 64 ALA HA 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 608, 617,
 &end
#
# 39 TYR QD 64 ALA QB 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 608, 617,
 igr2=1001,1002,1003,
 &end
#
# 39 TYR QD 65 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 608, 617,
 &end
#
# 39 TYR QE 64 ALA QB 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 610, 615,
 igr2=1001,1002,1003,
 &end
#
# 39 TYR QE 65 ALA HA 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 610, 615,
 &end
#
# 39 TYR QE 68 GLY H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 610, 615,
 &end
#
# 39 TYR QE 68 GLY QA 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 610, 615,
 igr2=1045,1046,
 &end
#
# 39 TYR QE 69 GLU QG 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 610, 615,
 igr2=1057,1058,
 &end
#
# 40 GLY H 40 GLY QA 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 623, 624,
 &end
#
# 40 GLY H 41 LYS H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 628, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 40 GLY H 42 ILE H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 650, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 40 GLY H 54 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 40 GLY H 56 TYR QE 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 869, 874,
 &end
#
# 40 GLY H 61 ASN HB3 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 954, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 40 GLY H 61 ASN HD21 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 959, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 40 GLY H 64 ALA QB 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1001,1002,1003,
 &end
#
# 40 GLY H 65 ALA QB 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1011,1012,1013,
 &end
#
# 40 GLY QA 41 LYS H 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 623, 624,
 &end
#
# 40 GLY QA 42 ILE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 623, 624,
 &end
#
# 40 GLY QA 56 TYR QD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 623, 624,
 igr2= 867, 876,
 &end
#
# 40 GLY QA 56 TYR QE 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 623, 624,
 igr2= 869, 874,
 &end
#
# 40 GLY QA 61 ASN HB2 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 623, 624,
 &end
#
# 40 GLY QA 61 ASN HB3 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 623, 624,
 &end
#
# 40 GLY QA 61 ASN HD21 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 623, 624,
 &end
#
# 40 GLY QA 61 ASN HD22 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 623, 624,
 &end
#
# 41 LYS H 41 LYS HA 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 630, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 41 LYS H 41 LYS HG3 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 636, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 41 LYS H 41 LYS QB 2.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
 igr2= 632, 633,
 &end
#
# 41 LYS H 41 LYS QE 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 641, 642,
 &end
#
# 41 LYS H 42 ILE H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 650, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 41 LYS H 56 TYR HB3 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 864, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 41 LYS H 56 TYR QD 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 867, 876,
 &end
#
# 41 LYS H 56 TYR QE 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 869, 874,
 &end
#
# 41 LYS H 57 VAL QQG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 41 LYS H 61 ASN HB2 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 953, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 41 LYS H 61 ASN HB3 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 954, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 41 LYS H 61 ASN HD22 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 958, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 41 LYS HA 41 LYS HG2 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 41 LYS HA 41 LYS HG3 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 636, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 41 LYS HA 41 LYS QD 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 638, 639,
 &end
#
# 41 LYS HA 41 LYS QE 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 641, 642,
 &end
#
# 41 LYS HA 42 ILE H 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 650, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 41 LYS HA 42 ILE QG1 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 660, 661,
 &end
#
# 41 LYS HA 56 TYR QD 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 867, 876,
 &end
#
# 41 LYS HA 56 TYR QE 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 869, 874,
 &end
#
# 41 LYS HA 57 VAL QQG 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 41 LYS HG2 41 LYS QE 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 641, 642,
 &end
#
# 41 LYS HG2 43 VAL HA 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 671, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 41 LYS HG2 43 VAL QQG 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 675, 676, 677, 679, 680, 681,
 &end
#
# 41 LYS HG2 56 TYR HA 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 861, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 41 LYS HG2 57 VAL H 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 880, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 41 LYS HG2 57 VAL QQG 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 41 LYS HG3 41 LYS QE 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 641, 642,
 &end
#
# 41 LYS HG3 42 ILE H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 650, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 41 LYS HG3 42 ILE HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 652, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 41 LYS HG3 43 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 LYS HG3 43 VAL QQG 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 675, 676, 677, 679, 680, 681,
 &end
#
# 41 LYS QB 57 VAL QQG 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 632, 633,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 41 LYS QD 41 LYS QE 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
 igr1= 638, 639,
 igr2= 641, 642,
 &end
#
# 41 LYS QD 43 VAL QQG 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 638, 639,
 igr2= 675, 676, 677, 679, 680, 681,
 &end
#
# 41 LYS QD 57 VAL QQG 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 638, 639,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 41 LYS QE 42 ILE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 641, 642,
 &end
#
# 41 LYS QE 43 VAL HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 641, 642,
 &end
#
# 41 LYS QE 43 VAL QQG 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 641, 642,
 igr2= 675, 676, 677, 679, 680, 681,
 &end
#
# 41 LYS QE 57 VAL HB 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 641, 642,
 &end
#
# 41 LYS QE 57 VAL QQG 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 641, 642,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 42 ILE H 42 ILE HB 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 42 ILE H 42 ILE QD1 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 663, 664, 665,
 &end
#
# 42 ILE H 42 ILE QG1 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 660, 661,
 &end
#
# 42 ILE H 42 ILE QG2 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 656, 657, 658,
 &end
#
# 42 ILE H 43 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42 ILE H 56 TYR HA 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 861, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 42 ILE H 56 TYR QD 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 867, 876,
 &end
#
# 42 ILE H 56 TYR QE 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 869, 874,
 &end
#
# 42 ILE H 57 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 42 ILE HA 42 ILE QD1 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 663, 664, 665,
 &end
#
# 42 ILE HA 42 ILE QG1 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 660, 661,
 &end
#
# 42 ILE HA 42 ILE QG2 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 656, 657, 658,
 &end
#
# 42 ILE HA 43 VAL H 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 669, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 42 ILE HA 43 VAL HA 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 671, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 42 ILE HA 43 VAL QQG 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 675, 676, 677, 679, 680, 681,
 &end
#
# 42 ILE HA 44 GLY H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 685, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 42 ILE HA 54 VAL QQG 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 42 ILE HA 56 TYR HA 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 861, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 42 ILE HA 56 TYR QD 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 867, 876,
 &end
#
# 42 ILE HA 56 TYR QE 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 869, 874,
 &end
#
# 42 ILE HA 57 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42 ILE HB 42 ILE QD1 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 663, 664, 665,
 &end
#
# 42 ILE HB 43 VAL H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 669, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 42 ILE HB 45 CYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 696, 697,
 &end
#
# 42 ILE HB 54 VAL QQG 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 42 ILE HB 56 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 867, 876,
 &end
#
# 42 ILE HB 56 TYR QE 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 869, 874,
 &end
#
# 42 ILE QD1 43 VAL H 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 663, 664, 665,
 &end
#
# 42 ILE QD1 45 CYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 663, 664, 665,
 &end
#
# 42 ILE QD1 45 CYS QB 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 663, 664, 665,
 igr2= 696, 697,
 &end
#
# 42 ILE QD1 54 VAL HB 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 663, 664, 665,
 &end
#
# 42 ILE QD1 54 VAL QQG 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 663, 664, 665,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 42 ILE QD1 56 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 663, 664, 665,
 &end
#
# 42 ILE QD1 56 TYR QD 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 663, 664, 665,
 igr2= 867, 876,
 &end
#
# 42 ILE QD1 56 TYR QE 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 663, 664, 665,
 igr2= 869, 874,
 &end
#
# 42 ILE QG1 43 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 660, 661,
 &end
#
# 42 ILE QG1 54 VAL QQG 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 660, 661,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 42 ILE QG1 56 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 660, 661,
 &end
#
# 42 ILE QG1 56 TYR QD 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 660, 661,
 igr2= 867, 876,
 &end
#
# 42 ILE QG1 56 TYR QE 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 660, 661,
 igr2= 869, 874,
 &end
#
# 42 ILE QG2 42 ILE QD1 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 656, 657, 658,
 igr2= 663, 664, 665,
 &end
#
# 42 ILE QG2 42 ILE QG1 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 656, 657, 658,
 igr2= 660, 661,
 &end
#
# 42 ILE QG2 43 VAL H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 656, 657, 658,
 &end
#
# 42 ILE QG2 43 VAL HA 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 656, 657, 658,
 &end
#
# 42 ILE QG2 44 GLY H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 656, 657, 658,
 &end
#
# 42 ILE QG2 44 GLY QA 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 656, 657, 658,
 igr2= 687, 688,
 &end
#
# 42 ILE QG2 45 CYS HA 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 656, 657, 658,
 &end
#
# 42 ILE QG2 45 CYS QB 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 656, 657, 658,
 igr2= 696, 697,
 &end
#
# 42 ILE QG2 54 VAL HA 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 656, 657, 658,
 &end
#
# 42 ILE QG2 54 VAL HB 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 656, 657, 658,
 &end
#
# 42 ILE QG2 54 VAL QQG 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 656, 657, 658,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 42 ILE QG2 55 GLN H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 656, 657, 658,
 &end
#
# 42 ILE QG2 56 TYR HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 656, 657, 658,
 &end
#
# 42 ILE QG2 56 TYR QD 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 656, 657, 658,
 igr2= 867, 876,
 &end
#
# 42 ILE QG2 56 TYR QE 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 656, 657, 658,
 igr2= 869, 874,
 &end
#
# 43 VAL H 43 VAL HB 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 43 VAL H 43 VAL QQG 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL H 44 GLY H 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 685, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 43 VAL H 44 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 687, 688,
 &end
#
# 43 VAL H 54 VAL QQG 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 43 VAL H 55 GLN HB3 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 847, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 43 VAL H 56 TYR HA 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 861, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 43 VAL H 56 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 VAL H 57 VAL H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 880, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 43 VAL H 57 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 VAL H 57 VAL QQG 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 43 VAL HA 43 VAL QQG 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr2= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL HA 57 VAL QQG 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 43 VAL HB 44 GLY H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 43 VAL QQG 44 GLY H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL QQG 44 GLY QA 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 675, 676, 677, 679, 680, 681,
 igr2= 687, 688,
 &end
#
# 43 VAL QQG 55 GLN HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL QQG 55 GLN HB2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL QQG 55 GLN QE2 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1= 675, 676, 677, 679, 680, 681,
 igr2= 854, 855,
 &end
#
# 43 VAL QQG 55 GLN QG 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 675, 676, 677, 679, 680, 681,
 igr2= 849, 850,
 &end
#
# 43 VAL QQG 56 TYR H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL QQG 56 TYR HA 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL QQG 56 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL QQG 57 VAL H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL QQG 57 VAL HA 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL QQG 57 VAL HB 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 675, 676, 677, 679, 680, 681,
 &end
#
# 43 VAL QQG 57 VAL QQG 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 675, 676, 677, 679, 680, 681,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 43 VAL QQG 58 ASN H 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 675, 676, 677, 679, 680, 681,
 &end
#
# 44 GLY H 54 VAL HA 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 828, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 44 GLY H 54 VAL QQG 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 44 GLY H 55 GLN H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 842, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 44 GLY H 55 GLN HB2 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 846, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 44 GLY H 55 GLN HB3 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 847, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 44 GLY H 55 GLN QG 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 849, 850,
 &end
#
# 44 GLY QA 45 CYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 687, 688,
 &end
#
# 44 GLY QA 45 CYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 687, 688,
 igr2= 696, 697,
 &end
#
# 44 GLY QA 55 GLN H 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 687, 688,
 &end
#
# 44 GLY QA 55 GLN HB2 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 687, 688,
 &end
#
# 44 GLY QA 55 GLN HB3 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 687, 688,
 &end
#
# 45 CYS HA 46 SER H 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 703, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 45 CYS HA 46 SER HA 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 705, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 45 CYS HA 53 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 CYS HA 54 VAL HA 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 828, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 45 CYS HA 54 VAL QQG 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 694,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 45 CYS HA 55 GLN H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 842, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 45 CYS HA 55 GLN HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 CYS QB 46 SER H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 696, 697,
 &end
#
# 45 CYS QB 47 VAL QQG 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 696, 697,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 45 CYS QB 54 VAL HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 696, 697,
 &end
#
# 45 CYS QB 54 VAL QQG 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 696, 697,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 46 SER H 47 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 46 SER H 52 ALA QB 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 800, 801, 802,
 &end
#
# 46 SER H 53 PHE H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 806, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 46 SER H 53 PHE QB 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 810, 811,
 &end
#
# 46 SER H 54 VAL HA 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 828, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 46 SER H 54 VAL QQG 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 46 SER HA 47 VAL H 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 714, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 46 SER HA 47 VAL QQG 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 46 SER HA 48 HIS HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 SER HA 52 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 800, 801, 802,
 &end
#
# 46 SER QB 47 VAL H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 707, 708,
 &end
#
# 47 VAL H 47 VAL HB 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 47 VAL H 47 VAL QQG 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL H 48 HIS HD2 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 743, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 47 VAL H 52 ALA QB 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 800, 801, 802,
 &end
#
# 47 VAL H 53 PHE H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 806, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 47 VAL HA 47 VAL QQG 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL HA 48 HIS H 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 730, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 47 VAL HA 48 HIS HA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 732, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 47 VAL HA 48 HIS HB2 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 734, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 47 VAL HA 48 HIS HD2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 743, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 47 VAL HA 52 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 VAL HA 52 ALA HA 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 798, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 47 VAL HA 52 ALA QB 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 800, 801, 802,
 &end
#
# 47 VAL HA 53 PHE H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 806, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 47 VAL HB 48 HIS H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 730, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 47 VAL HB 48 HIS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 VAL HB 48 HIS HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 VAL HB 52 ALA HA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 798, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 47 VAL HB 52 ALA QB 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 800, 801, 802,
 &end
#
# 47 VAL QQG 48 HIS H 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL QQG 48 HIS HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL QQG 48 HIS HD2 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL QQG 49 LYS H 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL QQG 49 LYS HA 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL QQG 50 GLY H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL QQG 51 PHE H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL QQG 51 PHE HA 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL QQG 52 ALA HA 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 VAL QQG 52 ALA QB 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 720, 721, 722, 724, 725, 726,
 igr2= 800, 801, 802,
 &end
#
# 47 VAL QQG 53 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 48 HIS H 48 HIS HB2 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 734, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 48 HIS H 48 HIS HD2 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 743, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 48 HIS H 49 LYS H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 747, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 48 HIS H 51 PHE H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 776, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 48 HIS H 52 ALA HA 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 798, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 48 HIS H 52 ALA QB 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 800, 801, 802,
 &end
#
# 48 HIS H 53 PHE H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 806, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 48 HIS HA 48 HIS HD2 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 743, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 48 HIS HA 49 LYS H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 747, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 48 HIS HA 49 LYS QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 754, 755,
 &end
#
# 48 HIS HA 52 ALA QB 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 800, 801, 802,
 &end
#
# 48 HIS HB2 49 LYS H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 747, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 48 HIS HB2 51 PHE H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 776, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 48 HIS HB2 51 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 784, 792,
 &end
#
# 48 HIS HB3 49 LYS H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 747, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 48 HIS HB3 49 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 HIS HB3 51 PHE H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 776, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 48 HIS HD2 49 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 HIS HD2 51 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 HIS HD2 51 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 HIS HD2 52 ALA H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 48 HIS HD2 52 ALA HA 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 798, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 48 HIS HD2 52 ALA QB 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 800, 801, 802,
 &end
#
# 48 HIS HD2 53 PHE H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 806, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 48 HIS HD2 53 PHE QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 810, 811,
 &end
#
# 48 HIS HD2 53 PHE QD 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 814, 822,
 &end
#
# 49 LYS H 49 LYS QB 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 751, 752,
 &end
#
# 49 LYS H 49 LYS QD 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 757, 758,
 &end
#
# 49 LYS H 49 LYS QG 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 754, 755,
 &end
#
# 49 LYS H 50 GLY H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 769, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 49 LYS H 51 PHE H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 776, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 49 LYS HA 49 LYS QD 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 757, 758,
 &end
#
# 49 LYS HA 49 LYS QE 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 760, 761,
 &end
#
# 49 LYS HA 49 LYS QG 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 754, 755,
 &end
#
# 49 LYS HA 50 GLY H 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 769, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 49 LYS HA 50 GLY QA 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 771, 772,
 &end
#
# 49 LYS HA 51 PHE H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 776, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 49 LYS QB 49 LYS QE 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 751, 752,
 igr2= 760, 761,
 &end
#
# 49 LYS QB 50 GLY H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 751, 752,
 &end
#
# 49 LYS QB 51 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 751, 752,
 &end
#
# 49 LYS QD 49 LYS QE 2.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr1= 757, 758,
 igr2= 760, 761,
 &end
#
# 49 LYS QD 50 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 757, 758,
 &end
#
# 49 LYS QG 49 LYS QD 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 754, 755,
 igr2= 757, 758,
 &end
#
# 49 LYS QG 49 LYS QE 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 754, 755,
 igr2= 760, 761,
 &end
#
# 49 LYS QG 50 GLY H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 754, 755,
 &end
#
# 50 GLY H 51 PHE H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 50 GLY QA 51 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 771, 772,
 &end
#
# 50 GLY QA 51 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 771, 772,
 igr2= 784, 792,
 &end
#
# 51 PHE H 52 ALA H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 796, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 51 PHE H 52 ALA HA 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 798, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 51 PHE HA 51 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 784, 792,
 &end
#
# 51 PHE HA 52 ALA H 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 778, 796, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 51 PHE HA 52 ALA QB 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 800, 801, 802,
 &end
#
# 51 PHE HB2 52 ALA H 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 796, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 51 PHE HB3 52 ALA H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 796, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 51 PHE HB3 52 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 800, 801, 802,
 &end
#
# 51 PHE QD 52 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 784, 792,
 &end
#
# 51 PHE QD 52 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 784, 792,
 igr2= 800, 801, 802,
 &end
#
# 51 PHE QD 53 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 784, 792,
 &end
#
# 52 ALA H 52 ALA QB 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 800, 801, 802,
 &end
#
# 52 ALA QB 53 PHE H 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 800, 801, 802,
 &end
#
# 52 ALA QB 53 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 800, 801, 802,
 &end
#
# 53 PHE H 53 PHE QB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 810, 811,
 &end
#
# 53 PHE H 54 VAL H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 826, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 53 PHE H 54 VAL QQG 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 53 PHE HA 53 PHE QD 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 814, 822,
 &end
#
# 53 PHE HA 54 VAL H 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 826, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 53 PHE HA 54 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53 PHE HA 54 VAL QQG 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 53 PHE QB 54 VAL H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 810, 811,
 &end
#
# 53 PHE QD 54 VAL H 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 814, 822,
 &end
#
# 54 VAL H 54 VAL HB 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 830, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 54 VAL H 54 VAL QQG 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 54 VAL HA 54 VAL QQG 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 54 VAL HA 55 GLN HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 54 VAL HB 56 TYR QE 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 869, 874,
 &end
#
# 54 VAL QQG 55 GLN H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 832, 833, 834, 836, 837, 838,
 &end
#
# 54 VAL QQG 55 GLN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 832, 833, 834, 836, 837, 838,
 &end
#
# 54 VAL QQG 56 TYR HA 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 832, 833, 834, 836, 837, 838,
 &end
#
# 54 VAL QQG 56 TYR QD 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 832, 833, 834, 836, 837, 838,
 igr2= 867, 876,
 &end
#
# 54 VAL QQG 56 TYR QE 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 832, 833, 834, 836, 837, 838,
 igr2= 869, 874,
 &end
#
# 54 VAL QQG 65 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 832, 833, 834, 836, 837, 838,
 igr2=1011,1012,1013,
 &end
#
# 55 GLN H 56 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 GLN HA 55 GLN QE2 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 854, 855,
 &end
#
# 55 GLN HA 55 GLN QG 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 849, 850,
 &end
#
# 55 GLN HA 56 TYR H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 859, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 55 GLN HA 56 TYR QD 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 867, 876,
 &end
#
# 55 GLN HB2 56 TYR H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 859, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 55 GLN HB3 56 TYR H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 859, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 55 GLN QE2 56 TYR H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 854, 855,
 &end
#
# 55 GLN QE2 56 TYR HB2 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 854, 855,
 &end
#
# 55 GLN QE2 62 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 854, 855,
 igr2= 967, 968, 969,
 &end
#
# 55 GLN QG 56 TYR H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 849, 850,
 &end
#
# 55 GLN QG 57 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 849, 850,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 56 TYR H 56 TYR HB2 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 863, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 56 TYR H 56 TYR HB3 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 864, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 56 TYR H 56 TYR QD 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 867, 876,
 &end
#
# 56 TYR H 57 VAL H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 880, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 56 TYR H 62 ALA QB 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 967, 968, 969,
 &end
#
# 56 TYR HA 56 TYR QD 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 867, 876,
 &end
#
# 56 TYR HA 56 TYR QE 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 869, 874,
 &end
#
# 56 TYR HA 57 VAL H 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 880, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 56 TYR HA 57 VAL HA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 882, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 56 TYR HA 57 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 TYR HA 57 VAL QQG 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 56 TYR HA 58 ASN H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 896, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 56 TYR HA 61 ASN HB2 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 953, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 56 TYR HA 61 ASN HB3 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 954, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 56 TYR HB2 57 VAL H 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 880, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 56 TYR HB2 57 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 TYR HB2 58 ASN H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 896, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 56 TYR HB2 61 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 TYR HB2 61 ASN HB2 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 953, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 56 TYR HB2 61 ASN HB3 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 954, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 56 TYR HB2 62 ALA H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 963, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 56 TYR HB2 62 ALA HA 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 965, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 56 TYR HB2 62 ALA QB 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 967, 968, 969,
 &end
#
# 56 TYR HB3 57 VAL H 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 880, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 56 TYR HB3 57 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 TYR HB3 58 ASN H 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 896, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 56 TYR HB3 58 ASN HD22 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 905, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 56 TYR HB3 61 ASN H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 949, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 56 TYR HB3 61 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 TYR HB3 61 ASN HB2 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 953, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 56 TYR HB3 61 ASN HB3 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 954, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 56 TYR HB3 61 ASN HD21 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 959, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 56 TYR HB3 62 ALA QB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 967, 968, 969,
 &end
#
# 56 TYR QD 57 VAL H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 58 ASN H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 61 ASN HA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 61 ASN HB2 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 61 ASN HB3 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 61 ASN HD21 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 62 ALA H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 62 ALA HA 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 62 ALA QB 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 867, 876,
 igr2= 967, 968, 969,
 &end
#
# 56 TYR QD 63 ARG H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 64 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 65 ALA H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 867, 876,
 &end
#
# 56 TYR QD 65 ALA QB 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 867, 876,
 igr2=1011,1012,1013,
 &end
#
# 56 TYR QD 83 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 867, 876,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 56 TYR QE 61 ASN HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 869, 874,
 &end
#
# 56 TYR QE 61 ASN HB2 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 869, 874,
 &end
#
# 56 TYR QE 61 ASN HB3 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 869, 874,
 &end
#
# 56 TYR QE 62 ALA HA 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 869, 874,
 &end
#
# 56 TYR QE 62 ALA QB 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 869, 874,
 igr2= 967, 968, 969,
 &end
#
# 56 TYR QE 63 ARG H 5.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 869, 874,
 &end
#
# 56 TYR QE 64 ALA H 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 869, 874,
 &end
#
# 56 TYR QE 64 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 869, 874,
 igr2=1001,1002,1003,
 &end
#
# 56 TYR QE 65 ALA H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 869, 874,
 &end
#
# 56 TYR QE 65 ALA HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 869, 874,
 &end
#
# 56 TYR QE 65 ALA QB 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 869, 874,
 igr2=1011,1012,1013,
 &end
#
# 56 TYR QE 66 VAL H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 869, 874,
 &end
#
# 57 VAL H 57 VAL HB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 884, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 57 VAL H 57 VAL QQG 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 VAL H 58 ASN H 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 896, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 57 VAL H 58 ASN HA 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 898, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 57 VAL H 58 ASN HB3 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 901, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 57 VAL H 61 ASN HB2 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 953, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 57 VAL H 61 ASN HB3 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 954, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 57 VAL HA 57 VAL QQG 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 VAL HA 58 ASN H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 896, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 57 VAL HA 58 ASN HA 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 898, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 57 VAL HB 58 ASN HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 898, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 57 VAL HB 58 ASN HD21 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 57 VAL HB 58 ASN HD22 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 905, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 57 VAL HB 61 ASN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 VAL QQG 58 ASN H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 VAL QQG 58 ASN HA 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 VAL QQG 58 ASN HB2 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 VAL QQG 58 ASN HB3 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 VAL QG1 58 ASN HD21 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 886, 887, 888,
 &end
#
# 57 VAL QG1 58 ASN HD22 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 886, 887, 888,
 &end
#
# 57 VAL QQG 61 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 ASN H 58 ASN HB2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 900, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 58 ASN H 58 ASN HB3 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 901, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 58 ASN H 58 ASN HD21 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 58 ASN H 59 GLU H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 910, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 58 ASN H 60 ARG H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 925, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 58 ASN H 60 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 ASN H 61 ASN H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 949, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 58 ASN H 61 ASN HB2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 953, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 58 ASN H 61 ASN HB3 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 954, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 58 ASN H 62 ALA H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 963, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 58 ASN H 62 ALA QB 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 967, 968, 969,
 &end
#
# 58 ASN HA 58 ASN HD21 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 906, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 58 ASN HA 58 ASN HD22 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 58 ASN HA 59 GLU H 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 910, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 58 ASN HA 59 GLU HA 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 912, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 58 ASN HA 59 GLU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 ASN HA 59 GLU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 ASN HA 60 ARG H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 925, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 58 ASN HA 60 ARG HB3 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 930, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 58 ASN HA 61 ASN H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 949, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 58 ASN HA 62 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 967, 968, 969,
 &end
#
# 58 ASN HB2 58 ASN HD21 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 906, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 58 ASN HB2 59 GLU H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 910, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 58 ASN HB2 59 GLU HB3 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 915, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 58 ASN HB2 60 ARG H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 925, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 58 ASN HB2 61 ASN H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 949, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 58 ASN HB2 61 ASN HB2 5.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 953, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 58 ASN HB3 58 ASN HD21 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 906, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 58 ASN HB3 58 ASN HD22 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 905, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 58 ASN HB3 59 GLU H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 910, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 58 ASN HB3 61 ASN HB2 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 953, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 58 ASN HD21 59 GLU H 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 910, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 58 ASN HD21 60 ARG H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 925, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 58 ASN HD21 60 ARG HB3 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 930, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 58 ASN HD21 60 ARG QD 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 935, 936,
 &end
#
# 58 ASN HD21 60 ARG QG 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 932, 933,
 &end
#
# 58 ASN HD21 61 ASN HD21 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 959, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 58 ASN HD21 61 ASN HD22 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 958, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 58 ASN HD22 59 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 910, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 ASN HD22 60 ARG H 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 925, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 58 ASN HD22 60 ARG HB2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 929, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 58 ASN HD22 60 ARG HB3 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 930, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 58 ASN HD22 60 ARG QD 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 935, 936,
 &end
#
# 58 ASN HD22 60 ARG QG 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 932, 933,
 &end
#
# 58 ASN HD22 61 ASN HA 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 951, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 58 ASN HD22 61 ASN HD21 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 959, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 58 ASN HD22 61 ASN HD22 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 958, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 59 GLU H 59 GLU HB2 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 914, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 59 GLU H 59 GLU HB3 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 915, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 59 GLU H 59 GLU QG 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 910,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 917, 918,
 &end
#
# 59 GLU H 60 ARG H 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 925, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 59 GLU H 61 ASN H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 949, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 59 GLU H 62 ALA H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 963, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 59 GLU H 62 ALA QB 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 910,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 967, 968, 969,
 &end
#
# 59 GLU HA 59 GLU QG 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 912,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 917, 918,
 &end
#
# 59 GLU HA 60 ARG HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 927, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 59 GLU HA 62 ALA H 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 963, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 59 GLU HA 62 ALA QB 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 912,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 967, 968, 969,
 &end
#
# 59 GLU HA 63 ARG H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 973, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 59 GLU HA 83 LEU QQD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 912,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 59 GLU HB2 62 ALA QB 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 967, 968, 969,
 &end
#
# 59 GLU HB2 83 LEU QQD 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 59 GLU HB3 60 ARG H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 925, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 59 GLU HB3 60 ARG HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 927, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 59 GLU HB3 60 ARG HB3 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 930, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 59 GLU HB3 61 ASN H 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 949, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 59 GLU QG 60 ARG H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 917, 918,
 &end
#
# 59 GLU QG 60 ARG HA 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 917, 918,
 &end
#
# 59 GLU QG 60 ARG HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 917, 918,
 &end
#
# 59 GLU QG 62 ALA QB 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 917, 918,
 igr2= 967, 968, 969,
 &end
#
# 59 GLU QG 63 ARG H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 917, 918,
 &end
#
# 59 GLU QG 63 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 917, 918,
 &end
#
# 59 GLU QG 63 ARG HE 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 917, 918,
 &end
#
# 59 GLU QG 63 ARG QD 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 917, 918,
 igr2= 983, 984,
 &end
#
# 59 GLU QG 63 ARG QG 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 917, 918,
 igr2= 980, 981,
 &end
#
# 59 GLU QG 83 LEU QQD 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 917, 918,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 60 ARG H 60 ARG HA 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 927, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 60 ARG H 60 ARG HB2 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 929, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 60 ARG H 60 ARG HB3 2.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 930, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,  &end
#
# 60 ARG H 60 ARG QD 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 935, 936,
 &end
#
# 60 ARG H 60 ARG QG 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 932, 933,
 &end
#
# 60 ARG H 61 ASN H 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 949, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 60 ARG H 61 ASN HB2 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 953, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 60 ARG H 62 ALA H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 963, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 60 ARG H 62 ALA QB 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 967, 968, 969,
 &end
#
# 60 ARG HA 60 ARG HB3 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 930, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 60 ARG HA 60 ARG QD 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 935, 936,
 &end
#
# 60 ARG HA 60 ARG QG 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 932, 933,
 &end
#
# 60 ARG HA 61 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 ARG HA 62 ALA H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 963, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 60 ARG HA 62 ALA QB 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 967, 968, 969,
 &end
#
# 60 ARG HA 63 ARG H 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 973, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 60 ARG HA 63 ARG QD 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 983, 984,
 &end
#
# 60 ARG HA 63 ARG QG 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 980, 981,
 &end
#
# 60 ARG HB2 60 ARG QD 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 935, 936,
 &end
#
# 60 ARG HB3 60 ARG QD 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 935, 936,
 &end
#
# 60 ARG HB3 61 ASN H 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 949, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 60 ARG QD 61 ASN H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 935, 936,
 &end
#
# 60 ARG QD 61 ASN HA 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 935, 936,
 &end
#
# 60 ARG QD 61 ASN HD21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 935, 936,
 &end
#
# 60 ARG QD 62 ALA H 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 935, 936,
 &end
#
# 60 ARG QD 63 ARG H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 935, 936,
 &end
#
# 60 ARG QD 64 ALA H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 935, 936,
 &end
#
# 60 ARG QD 64 ALA QB 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 935, 936,
 igr2=1001,1002,1003,
 &end
#
# 60 ARG QG 61 ASN H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 932, 933,
 &end
#
# 60 ARG QG 61 ASN HB2 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 932, 933,
 &end
#
# 60 ARG QG 61 ASN HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
# 60 ARG QG 61 ASN HD22 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 932, 933,
 &end
#
# 61 ASN H 61 ASN HB2 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 953, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 61 ASN H 61 ASN HB3 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 954, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 61 ASN H 61 ASN HD21 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 959, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 61 ASN H 61 ASN HD22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 ASN H 62 ALA H 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 61 ASN H 62 ALA QB 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 967, 968, 969,
 &end
#
# 61 ASN H 63 ARG H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 973, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 61 ASN HA 61 ASN HD21 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 959, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 61 ASN HA 61 ASN HD22 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 958, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 61 ASN HA 62 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 ASN HA 63 ARG H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 973, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 61 ASN HA 64 ALA H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 997, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 61 ASN HA 64 ALA QB 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1001,1002,1003,
 &end
#
# 61 ASN HA 65 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1011,1012,1013,
 &end
#
# 61 ASN HB2 61 ASN HD21 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 959, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 61 ASN HB2 62 ALA H 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 963, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 61 ASN HB2 63 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 ASN HB3 61 ASN HD21 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 61 ASN HB3 61 ASN HD22 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 958, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 61 ASN HB3 62 ALA H 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 963, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 61 ASN HB3 62 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 967, 968, 969,
 &end
#
# 61 ASN HB3 64 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 ASN HB3 64 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1001,1002,1003,
 &end
#
# 61 ASN HD21 62 ALA H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 963, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 61 ASN HD21 64 ALA H 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 997, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 61 ASN HD21 64 ALA QB 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1001,1002,1003,
 &end
#
# 61 ASN HD22 64 ALA QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1001,1002,1003,
 &end
#
# 62 ALA H 62 ALA QB 2.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 967, 968, 969,
 &end
#
# 62 ALA H 63 ARG H 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 973, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 62 ALA H 63 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 ALA H 63 ARG QG 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 980, 981,
 &end
#
# 62 ALA H 64 ALA H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 997, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 62 ALA H 65 ALA H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 963,1007, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 62 ALA H 83 LEU QQD 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 62 ALA HA 64 ALA H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 997, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 62 ALA HA 65 ALA H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,1007, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 62 ALA HA 65 ALA QB 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1011,1012,1013,
 &end
#
# 62 ALA HA 66 VAL H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,1017, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 62 ALA QB 63 ARG H 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 967, 968, 969,
 &end
#
# 62 ALA QB 63 ARG HA 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 967, 968, 969,
 &end
#
# 62 ALA QB 66 VAL HB 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 967, 968, 969,
 &end
#
# 62 ALA QB 83 LEU H 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 967, 968, 969,
 &end
#
# 62 ALA QB 83 LEU HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 967, 968, 969,
 &end
#
# 62 ALA QB 83 LEU HG 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 967, 968, 969,
 &end
#
# 62 ALA QB 83 LEU QQD 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 967, 968, 969,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 62 ALA QB 84 ALA H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 967, 968, 969,
 &end
#
# 63 ARG H 63 ARG HB2 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 977, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 63 ARG H 63 ARG QD 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 983, 984,
 &end
#
# 63 ARG H 63 ARG QG 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 980, 981,
 &end
#
# 63 ARG H 64 ALA H 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 997, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 63 ARG H 64 ALA HA 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 999, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 63 ARG H 64 ALA QB 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1001,1002,1003,
 &end
#
# 63 ARG H 65 ALA H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1007, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 63 ARG H 66 VAL H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1017, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 63 ARG H 66 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 ARG H 66 VAL QQG 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 63 ARG H 83 LEU QQD 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 63 ARG HA 63 ARG HE 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 975, 986, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 63 ARG HA 63 ARG QD 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 983, 984,
 &end
#
# 63 ARG HA 63 ARG QG 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 980, 981,
 &end
#
# 63 ARG HA 65 ALA H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1007, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 63 ARG HA 66 VAL H 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1017, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 63 ARG HA 66 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 ARG HA 66 VAL HB 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1021, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 63 ARG HA 66 VAL QQG 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 63 ARG HA 67 ALA H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1033, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 63 ARG HA 67 ALA QB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1037,1038,1039,
 &end
#
# 63 ARG HA 83 LEU QQD 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 63 ARG HB2 64 ALA H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 977, 997, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 63 ARG HB2 65 ALA H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1007, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 63 ARG HB3 63 ARG QD 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 983, 984,
 &end
#
# 63 ARG HB3 67 ALA H 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 978,1033, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 63 ARG HE 83 LEU QQD 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 63 ARG QD 64 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 983, 984,
 &end
#
# 63 ARG QD 66 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 983, 984,
 &end
#
# 63 ARG QD 66 VAL QQG 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 983, 984,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 63 ARG QD 83 LEU QQD 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 983, 984,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 63 ARG QG 64 ALA H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 980, 981,
 &end
#
# 63 ARG QG 83 LEU QQD 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 980, 981,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 64 ALA H 64 ALA QB 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2=1001,1002,1003,
 &end
#
# 64 ALA H 65 ALA H 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1007, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 64 ALA H 65 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 ALA H 66 VAL H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1017, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 64 ALA HA 68 GLY QA 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1045,1046,
 &end
#
# 64 ALA QB 65 ALA H 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=1001,1002,1003,
 &end
#
# 64 ALA QB 65 ALA HA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1001,1002,1003,
 &end
#
# 64 ALA QB 65 ALA QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1001,1002,1003,
 igr2=1011,1012,1013,
 &end
#
# 65 ALA H 65 ALA QB 2.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,
 igr2=1011,1012,1013,
 &end
#
# 65 ALA H 66 VAL H 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1017, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 65 ALA H 68 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1045,1046,
 &end
#
# 65 ALA HA 68 GLY H 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1043, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 65 ALA HA 68 GLY QA 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1045,1046,
 &end
#
# 65 ALA HA 69 GLU HB2 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1054, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 65 ALA QB 66 VAL H 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr1=1011,1012,1013,
 &end
#
# 65 ALA QB 66 VAL HA 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1011,1012,1013,
 &end
#
# 65 ALA QB 68 GLY H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1011,1012,1013,
 &end
#
# 66 VAL H 66 VAL HA 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1019, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 66 VAL H 66 VAL HB 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
# 66 VAL H 66 VAL QQG 2.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 VAL H 67 ALA H 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1033, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 66 VAL H 68 GLY H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1043, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 66 VAL H 81 ILE QG2 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1231,1232,1233,
 &end
#
# 66 VAL HA 66 VAL QQG 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 VAL HA 67 ALA HA 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1035, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 66 VAL HA 68 GLY H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1043, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 66 VAL HA 69 GLU H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1050, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 66 VAL HA 70 ASP H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1065, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 66 VAL HA 70 ASP HA 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1067, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 66 VAL HA 70 ASP HB2 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1069, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 66 VAL HA 70 ASP HB3 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1070, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 66 VAL HA 81 ILE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 VAL HA 81 ILE HA 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1227, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 66 VAL HA 81 ILE HB 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1229, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 66 VAL HA 81 ILE QD1 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1238,1239,1240,
 &end
#
# 66 VAL HA 81 ILE QG2 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1231,1232,1233,
 &end
#
# 66 VAL HA 82 ASN HA 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1246, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 66 VAL HB 67 ALA H 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1033, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 66 VAL HB 67 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 VAL HB 81 ILE QG2 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1231,1232,1233,
 &end
#
# 66 VAL HB 82 ASN HA 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1246, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 66 VAL QQG 67 ALA H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 VAL QQG 67 ALA HA 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 VAL QQG 70 ASP HB2 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 VAL QQG 70 ASP HB3 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 VAL QQG 82 ASN H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 VAL QQG 82 ASN HA 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 VAL QQG 82 ASN QB 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1023,1024,1025,1027,1028,1029,
 igr2=1248,1249,
 &end
#
# 66 VAL QQG 82 ASN QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1023,1024,1025,1027,1028,1029,
 igr2=1253,1254,
 &end
#
# 66 VAL QQG 83 LEU H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 VAL QQG 83 LEU HA 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 VAL QQG 83 LEU QB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1=1023,1024,1025,1027,1028,1029,
 igr2=1262,1263,
 &end
#
# 66 VAL QQG 83 LEU QQD 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1023,1024,1025,1027,1028,1029,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 67 ALA H 67 ALA QB 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2=1037,1038,1039,
 &end
#
# 67 ALA H 68 GLY H 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1043, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 67 ALA H 68 GLY QA 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1045,1046,
 &end
#
# 67 ALA HA 68 GLY H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1043, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 67 ALA HA 68 GLY QA 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1045,1046,
 &end
#
# 67 ALA HA 69 GLU H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1050, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 67 ALA HA 70 ASP H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1065, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 67 ALA HA 70 ASP HB2 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1069, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 67 ALA HA 70 ASP HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1070, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 67 ALA QB 68 GLY QA 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1037,1038,1039,
 igr2=1045,1046,
 &end
#
# 68 GLY H 68 GLY QA 2.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
 igr2=1045,1046,
 &end
#
# 68 GLY H 69 GLU H 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1050, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 68 GLY H 69 GLU HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1052, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 68 GLY H 69 GLU HB2 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1054, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 68 GLY H 70 ASP HB3 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1070, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 68 GLY H 81 ILE QG2 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1231,1232,1233,
 &end
#
# 68 GLY QA 69 GLU H 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr1=1045,1046,
 &end
#
# 68 GLY QA 69 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1045,1046,
 &end
#
# 68 GLY QA 69 GLU HB2 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1045,1046,
 &end
#
# 68 GLY QA 69 GLU QG 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1045,1046,
 igr2=1057,1058,
 &end
#
# 68 GLY QA 70 ASP H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1045,1046,
 &end
#
# 69 GLU H 69 GLU HB2 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1054, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 69 GLU H 70 ASP H 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1065, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 69 GLU H 70 ASP HA 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1067, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 69 GLU H 70 ASP HB2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 69 GLU H 70 ASP HB3 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1070, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 69 GLU H 81 ILE HB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1229, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 69 GLU H 81 ILE QD1 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1238,1239,1240,
 &end
#
# 69 GLU H 81 ILE QG2 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1231,1232,1233,
 &end
#
# 69 GLU HA 69 GLU QG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1057,1058,
 &end
#
# 69 GLU HA 70 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 69 GLU HA 72 ARG H 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1084, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 69 GLU HA 72 ARG HA 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1086, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 69 GLU HA 72 ARG HB2 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1088, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 69 GLU HA 72 ARG HB3 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1089, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 69 GLU HA 72 ARG HD2 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1094, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 69 GLU HA 72 ARG HD3 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1095, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 69 GLU HA 72 ARG HE 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1097, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 69 GLU HA 72 ARG HG2 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1091, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 69 GLU HA 79 LEU QQD 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 69 GLU HA 81 ILE QD1 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1238,1239,1240,
 &end
#
# 69 GLU HB2 70 ASP H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1065, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 69 GLU HB2 81 ILE QD1 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1238,1239,1240,
 &end
#
# 69 GLU HB3 70 ASP H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1065, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 69 GLU QG 70 ASP H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1057,1058,
 &end
#
# 69 GLU QG 81 ILE QD1 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=1057,1058,
 igr2=1238,1239,1240,
 &end
#
# 70 ASP H 70 ASP HB2 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1069, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 70 ASP H 70 ASP HB3 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1070, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 70 ASP H 71 GLY H 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1077, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 70 ASP H 72 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 70 ASP H 81 ILE H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1225, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 70 ASP H 81 ILE HB 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1229, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 70 ASP H 81 ILE QD1 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1238,1239,1240,
 &end
#
# 70 ASP H 81 ILE QG2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1231,1232,1233,
 &end
#
# 70 ASP HA 71 GLY H 2.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06,  &end
#
# 70 ASP HA 72 ARG H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 70 ASP HA 79 LEU HB2 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1198, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 70 ASP HA 79 LEU HB3 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1199, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 70 ASP HA 80 ASP HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1215, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 70 ASP HA 81 ILE H 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1225, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 70 ASP HA 81 ILE HA 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1227, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 70 ASP HA 81 ILE HB 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1229, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 70 ASP HA 81 ILE HG13 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1236, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 70 ASP HA 81 ILE QD1 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1238,1239,1240,
 &end
#
# 70 ASP HA 81 ILE QG2 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1231,1232,1233,
 &end
#
# 70 ASP HB2 81 ILE H 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1225, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 70 ASP HB2 81 ILE HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1227, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 70 ASP HB2 81 ILE HB 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1229, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 70 ASP HB2 81 ILE QD1 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1238,1239,1240,
 &end
#
# 70 ASP HB2 81 ILE QG2 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1231,1232,1233,
 &end
#
# 70 ASP HB3 71 GLY H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 70 ASP HB3 81 ILE H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1225, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 70 ASP HB3 81 ILE HB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1229, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 70 ASP HB3 81 ILE QG2 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1231,1232,1233,
 &end
#
# 71 GLY H 71 GLY HA2 2.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1079, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 71 GLY H 72 ARG H 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1084, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 71 GLY H 72 ARG HB3 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1089, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 71 GLY H 72 ARG HG3 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1092, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 71 GLY H 78 VAL HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1180, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 71 GLY H 78 VAL QQG 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 71 GLY H 79 LEU H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1194, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 71 GLY H 79 LEU HB2 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1198, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 71 GLY H 80 ASP H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1213, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 71 GLY H 80 ASP HA 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1215, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 71 GLY H 81 ILE H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1225, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 71 GLY H 81 ILE QD1 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1238,1239,1240,
 &end
#
# 71 GLY HA2 72 ARG H 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1084, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 71 GLY HA2 73 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1119,1120,1121,
 &end
#
# 71 GLY HA2 78 VAL QQG 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 71 GLY HA2 79 LEU H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1194, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 71 GLY HA3 78 VAL QQG 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 71 GLY HA3 79 LEU H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1194, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 71 GLY HA3 80 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 ARG H 72 ARG HB3 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 72 ARG H 72 ARG HD2 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1094, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 72 ARG H 72 ARG HD3 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1095, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 72 ARG H 72 ARG HE 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1097, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 72 ARG H 72 ARG HG2 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1091, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 72 ARG H 72 ARG HG3 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1092, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 72 ARG H 73 MET H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1108, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 72 ARG H 78 VAL HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1180, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 72 ARG H 79 LEU H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1194, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 72 ARG H 79 LEU HB2 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1198, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 72 ARG H 79 LEU QQD 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 72 ARG H 81 ILE QD1 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1238,1239,1240,
 &end
#
# 72 ARG HA 72 ARG HB2 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1088, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
# 72 ARG HA 72 ARG HD2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1094, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 72 ARG HA 72 ARG HD3 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1095, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 72 ARG HA 72 ARG HE 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1097, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 72 ARG HA 72 ARG HG2 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1091, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 72 ARG HA 72 ARG HG3 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1092, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 72 ARG HA 73 MET H 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1108, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 72 ARG HA 73 MET HB2 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1112, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 72 ARG HA 78 VAL QQG 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 72 ARG HB2 72 ARG HD2 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1094, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 72 ARG HB2 72 ARG HD3 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1095, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 72 ARG HB2 72 ARG HE 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1097, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 72 ARG HB2 79 LEU QQD 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 72 ARG HB3 72 ARG HD2 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1094, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 72 ARG HB3 72 ARG HD3 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1095, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 72 ARG HB3 73 MET H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1108, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 72 ARG HD2 73 MET H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 72 ARG HD2 74 ILE HG12 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1135, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 72 ARG HD2 74 ILE HG13 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1136, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 72 ARG HD2 74 ILE QD1 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1138,1139,1140,
 &end
#
# 72 ARG HD2 79 LEU QQD 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 72 ARG HD2 81 ILE QD1 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=1238,1239,1240,
 &end
#
# 72 ARG HD3 73 MET H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1108, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 72 ARG HD3 73 MET HB3 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1113, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 72 ARG HD3 74 ILE HA 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1127, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 72 ARG HD3 74 ILE HB 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1129, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 72 ARG HD3 74 ILE QD1 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1138,1139,1140,
 &end
#
# 72 ARG HD3 78 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 ARG HD3 79 LEU QQD 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 72 ARG HE 73 MET H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1108, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 72 ARG HE 74 ILE HG13 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1136, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 72 ARG HE 74 ILE QD1 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1138,1139,1140,
 &end
#
# 72 ARG HG2 72 ARG HE 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1097, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 72 ARG HG2 79 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 ARG HG2 79 LEU QQD 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 72 ARG HG3 72 ARG HE 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 72 ARG HG3 73 MET H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1108, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 72 ARG HG3 74 ILE HG13 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1136, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 72 ARG HG3 74 ILE QD1 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1138,1139,1140,
 &end
#
# 72 ARG HG3 79 LEU HB2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1198, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 72 ARG HG3 79 LEU QQD 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 73 MET H 73 MET HB2 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 73 MET H 73 MET HG3 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 73 MET H 74 ILE H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1125, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 73 MET H 74 ILE HG13 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1136, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 73 MET H 78 VAL HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1180, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 73 MET H 78 VAL QQG 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 73 MET H 79 LEU H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1194, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 73 MET HA 73 MET HG2 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 73 MET HA 73 MET HG3 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1116, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 73 MET HA 73 MET QE 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1119,1120,1121,
 &end
#
# 73 MET HA 74 ILE H 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1125, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 73 MET HA 74 ILE HA 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1127, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 73 MET HA 74 ILE QG2 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1131,1132,1133,
 &end
#
# 73 MET HA 76 GLY H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1154, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 73 MET HA 77 GLN H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1161, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 73 MET HA 78 VAL H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1178, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 73 MET HA 78 VAL HA 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1180, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 73 MET HA 78 VAL QQG 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 73 MET HA 79 LEU H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1194, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 73 MET HA 79 LEU QQD 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 73 MET HB2 74 ILE H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1125, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 73 MET HB2 78 VAL HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1180, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 73 MET HB2 78 VAL QQG 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 73 MET HB3 74 ILE HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1113,1127, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 73 MET HG2 76 GLY H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1154, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 73 MET HG2 76 GLY HA2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 MET HG2 78 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 MET HG2 78 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 MET HG3 73 MET QE 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2=1119,1120,1121,
 &end
#
# 73 MET HG3 74 ILE H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1125, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 73 MET HG3 74 ILE HA 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1127, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 73 MET HG3 76 GLY H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1154, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 73 MET HG3 76 GLY HA2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 MET HG3 76 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 MET HG3 77 GLN H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1161, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 73 MET HG3 78 VAL HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1180, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 73 MET HG3 78 VAL QQG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 73 MET QE 76 GLY HA2 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1119,1120,1121,
 &end
#
# 73 MET QE 76 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1119,1120,1121,
 &end
#
# 73 MET QE 77 GLN HA 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1119,1120,1121,
 &end
#
# 73 MET QE 78 VAL H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1119,1120,1121,
 &end
#
# 73 MET QE 78 VAL HA 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1119,1120,1121,
 &end
#
# 73 MET QE 78 VAL QQG 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=1119,1120,1121,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 74 ILE H 74 ILE HB 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 74 ILE H 74 ILE HG12 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 74 ILE H 74 ILE HG13 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1136, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 74 ILE H 74 ILE QG2 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1131,1132,1133,
 &end
#
# 74 ILE H 75 ALA H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1144, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 74 ILE H 76 GLY H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1154, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 74 ILE H 77 GLN H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1161, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 74 ILE H 77 GLN HA 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1163, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 74 ILE H 77 GLN HE22 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1173, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 74 ILE H 77 GLN QB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1165,1166,
 &end
#
# 74 ILE H 78 VAL HA 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1180, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 74 ILE H 78 VAL QQG 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 74 ILE H 79 LEU H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1194, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 74 ILE H 79 LEU QQD 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 74 ILE HA 74 ILE HG12 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1135, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 74 ILE HA 74 ILE HG13 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1136, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 74 ILE HA 74 ILE QD1 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1138,1139,1140,
 &end
#
# 74 ILE HA 74 ILE QG2 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1131,1132,1133,
 &end
#
# 74 ILE HA 75 ALA H 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1144, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 74 ILE HA 75 ALA HA 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1146, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 74 ILE HA 75 ALA QB 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1148,1149,1150,
 &end
#
# 74 ILE HA 76 GLY H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1154, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 74 ILE HA 77 GLN H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1161, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 74 ILE HA 79 LEU QQD 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 74 ILE HB 74 ILE QD1 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1138,1139,1140,
 &end
#
# 74 ILE HB 75 ALA H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1144, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 74 ILE HB 77 GLN H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1161, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 74 ILE HB 79 LEU HG 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1201, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 74 ILE HB 79 LEU QQD 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 74 ILE HG12 75 ALA H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1144, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 74 ILE HG12 79 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 ILE HG13 75 ALA H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1144, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 74 ILE HG13 79 LEU HG 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1201, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 74 ILE HG13 79 LEU QQD 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 74 ILE QD1 79 LEU HG 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1138,1139,1140,
 &end
#
# 74 ILE QD1 79 LEU QQD 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1138,1139,1140,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 74 ILE QG2 74 ILE HG12 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1131,1132,1133,
 &end
#
# 74 ILE QG2 74 ILE HG13 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1131,1132,1133,
 &end
#
# 74 ILE QG2 75 ALA H 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1131,1132,1133,
 &end
#
# 74 ILE QG2 75 ALA HA 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1131,1132,1133,
 &end
#
# 74 ILE QG2 76 GLY H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1131,1132,1133,
 &end
#
# 74 ILE QG2 77 GLN H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1131,1132,1133,
 &end
#
# 74 ILE QG2 77 GLN HE22 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1131,1132,1133,
 &end
#
# 74 ILE QG2 77 GLN QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1131,1132,1133,
 igr2=1165,1166,
 &end
#
# 74 ILE QG2 79 LEU HB2 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1131,1132,1133,
 &end
#
# 74 ILE QG2 79 LEU HG 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1=1131,1132,1133,
 &end
#
# 74 ILE QG2 79 LEU QQD 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1=1131,1132,1133,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 75 ALA H 75 ALA HA 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1146, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 75 ALA H 75 ALA QB 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2=1148,1149,1150,
 &end
#
# 75 ALA H 76 GLY H 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1154, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 75 ALA H 76 GLY HA2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1156, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 75 ALA H 77 GLN H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1161, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 75 ALA H 79 LEU QQD 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 75 ALA HA 76 GLY H 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1146,1154, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 75 ALA HA 76 GLY HA2 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1146,1156, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 75 ALA HA 76 GLY HA3 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1146,1157, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 75 ALA HA 77 GLN H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1146,1161, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 75 ALA QB 76 GLY H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1148,1149,1150,
 &end
#
# 75 ALA QB 76 GLY HA2 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1148,1149,1150,
 &end
#
# 75 ALA QB 76 GLY HA3 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1148,1149,1150,
 &end
#
# 75 ALA QB 77 GLN H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1148,1149,1150,
 &end
#
# 75 ALA QB 77 GLN HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=1148,1149,1150,
 &end
#
# 75 ALA QB 79 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1148,1149,1150,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 76 GLY H 76 GLY HA2 2.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1154,1156, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,  &end
#
# 76 GLY H 77 GLN H 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1154,1161, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 76 GLY H 77 GLN HA 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1154,1163, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 76 GLY H 77 GLN QB 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1165,1166,
 &end
#
# 76 GLY HA2 77 GLN H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1161, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 76 GLY HA2 77 GLN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 GLY HA3 77 GLN H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1161, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 77 GLN H 77 GLN HE21 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1174, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 77 GLN H 77 GLN HE22 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 77 GLN H 77 GLN QB 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2=1165,1166,
 &end
#
# 77 GLN H 78 VAL H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 77 GLN H 79 LEU QQD 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 77 GLN HA 77 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 GLN HA 77 GLN HG2 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1168, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 77 GLN HA 78 VAL H 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1178, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 77 GLN HA 78 VAL HA 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1180, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 77 GLN HA 78 VAL QQG 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 77 GLN HE21 78 VAL H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1178, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 77 GLN HE22 79 LEU HA 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1196, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 77 GLN HE22 79 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 GLN HE22 79 LEU QQD 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 77 GLN HE22 80 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 GLN HG2 78 VAL H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1178, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 77 GLN HG2 78 VAL QQG 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 77 GLN HG2 79 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 77 GLN HG3 78 VAL H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1178, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 77 GLN QB 77 GLN HE21 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1165,1166,
 &end
#
# 77 GLN QB 77 GLN HE22 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1=1165,1166,
 &end
#
# 77 GLN QB 78 VAL H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1165,1166,
 &end
#
# 78 VAL H 78 VAL HB 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1182, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 78 VAL H 78 VAL QQG 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 VAL H 79 LEU H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1194, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 78 VAL H 79 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 VAL HA 78 VAL QQG 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 VAL HA 79 LEU H 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1194, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 78 VAL HA 79 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 VAL HA 79 LEU QQD 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 78 VAL HB 79 LEU H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1194, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 78 VAL QQG 79 LEU H 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 VAL QQG 79 LEU HA 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 VAL QQG 79 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 VAL QQG 80 ASP H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 VAL QQG 80 ASP HA 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1215, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 79 LEU H 79 LEU HB2 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1198, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 79 LEU H 79 LEU HG 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1201, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 79 LEU H 79 LEU QQD 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 79 LEU H 80 ASP H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1213, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 79 LEU HA 79 LEU QQD 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 79 LEU HA 80 ASP H 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 79 LEU HA 80 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 LEU HA 80 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1218,
 &end
#
# 79 LEU HA 81 ILE QD1 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1238,1239,1240,
 &end
#
# 79 LEU HB2 79 LEU QQD 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 79 LEU HB2 80 ASP H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1213, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 79 LEU HB2 81 ILE HA 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1227, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 79 LEU HB2 81 ILE QD1 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1238,1239,1240,
 &end
#
# 79 LEU HB3 79 LEU QQD 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 79 LEU HB3 80 ASP H 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1213, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 79 LEU HB3 80 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 LEU HB3 81 ILE HA 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1227, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 79 LEU HB3 81 ILE HG12 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1235, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 79 LEU HB3 81 ILE HG13 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1236, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 79 LEU HB3 81 ILE QD1 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1238,1239,1240,
 &end
#
# 79 LEU QQD 80 ASP H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1203,1204,1205,1207,1208,1209,
 &end
#
# 80 ASP H 80 ASP QB 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1217,1218,
 &end
#
# 80 ASP H 81 ILE H 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1225, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 80 ASP H 81 ILE HA 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1227, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 80 ASP H 81 ILE QD1 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1238,1239,1240,
 &end
#
# 80 ASP HA 81 ILE H 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1225, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 80 ASP HA 81 ILE HA 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1227, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 80 ASP HA 81 ILE HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 ASP HA 81 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
# 80 ASP QB 81 ILE H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1217,1218,
 &end
#
# 80 ASP QB 81 ILE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1217,1218,
 &end
#
# 81 ILE H 81 ILE HB 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1229, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 81 ILE H 81 ILE HG13 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1236, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 81 ILE H 81 ILE QD1 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1238,1239,1240,
 &end
#
# 81 ILE H 81 ILE QG2 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1231,1232,1233,
 &end
#
# 81 ILE H 82 ASN H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1244, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 81 ILE HA 81 ILE HG12 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1235, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 81 ILE HA 81 ILE QD1 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1238,1239,1240,
 &end
#
# 81 ILE HA 81 ILE QG2 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1231,1232,1233,
 &end
#
# 81 ILE HA 82 ASN H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1244, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 81 ILE HA 82 ASN HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1246, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 81 ILE HB 81 ILE QD1 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1238,1239,1240,
 &end
#
# 81 ILE HB 82 ASN H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1244, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 81 ILE HB 82 ASN HA 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1246, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 81 ILE QG2 81 ILE HG12 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=1231,1232,1233,
 &end
#
# 81 ILE QG2 82 ASN H 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1=1231,1232,1233,
 &end
#
# 81 ILE QG2 82 ASN QB 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1231,1232,1233,
 igr2=1248,1249,
 &end
#
# 82 ASN H 83 LEU H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1258, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 82 ASN HA 82 ASN QD2 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1253,1254,
 &end
#
# 82 ASN HA 83 LEU QB 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1262,1263,
 &end
#
# 82 ASN HA 88 LYS HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 82 ASN QB 82 ASN QD2 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1248,1249,
 igr2=1253,1254,
 &end
#
# 82 ASN QB 83 LEU H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1248,1249,
 &end
#
# 82 ASN QB 88 LYS HG2 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1248,1249,
 &end
#
# 82 ASN QB 88 LYS HG3 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1248,1249,
 &end
#
# 82 ASN QD2 83 LEU H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1253,1254,
 &end
#
# 82 ASN QD2 83 LEU HA 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1253,1254,
 &end
#
# 82 ASN QD2 83 LEU QB 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1=1253,1254,
 igr2=1262,1263,
 &end
#
# 82 ASN QD2 84 ALA HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1253,1254,
 &end
#
# 82 ASN QD2 86 GLU H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=1253,1254,
 &end
#
# 82 ASN QD2 87 PRO HA 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1253,1254,
 &end
#
# 82 ASN QD2 87 PRO QB 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1253,1254,
 igr2=1319,1320,
 &end
#
# 82 ASN QD2 88 LYS H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1253,1254,
 &end
#
# 83 LEU H 83 LEU HG 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1265, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 83 LEU H 83 LEU QB 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1262,1263,
 &end
#
# 83 LEU H 83 LEU QQD 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 83 LEU H 84 ALA H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1277, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 83 LEU H 86 GLU H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1297, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 83 LEU H 86 GLU QB 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1301,1302,
 &end
#
# 83 LEU HA 83 LEU HG 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1265, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 83 LEU HA 83 LEU QQD 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 83 LEU HA 84 ALA H 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1277, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 83 LEU HA 84 ALA HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 83 LEU HA 84 ALA QB 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1281,1282,1283,
 &end
#
# 83 LEU HG 84 ALA H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1277, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 83 LEU QB 83 LEU QQD 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1262,1263,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 83 LEU QB 84 ALA H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1262,1263,
 &end
#
# 83 LEU QB 86 GLU H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1262,1263,
 &end
#
# 83 LEU QB 86 GLU QG 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1262,1263,
 igr2=1304,1305,
 &end
#
# 83 LEU QQD 84 ALA H 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 83 LEU QQD 84 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 83 LEU QQD 84 ALA QB 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
 igr1=1267,1268,1269,1271,1272,1273,
 igr2=1281,1282,1283,
 &end
#
# 83 LEU QQD 85 ALA QB 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1267,1268,1269,1271,1272,1273,
 igr2=1291,1292,1293,
 &end
#
# 83 LEU QQD 86 GLU H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 83 LEU QQD 86 GLU QG 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1=1267,1268,1269,1271,1272,1273,
 igr2=1304,1305,
 &end
#
# 84 ALA H 84 ALA QB 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1281,1282,1283,
 &end
#
# 84 ALA H 85 ALA H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1287, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 84 ALA H 85 ALA QB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1291,1292,1293,
 &end
#
# 84 ALA H 86 GLU H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1297, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 84 ALA HA 85 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 84 ALA HA 85 ALA QB 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1291,1292,1293,
 &end
#
# 84 ALA HA 86 GLU H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1297, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 84 ALA QB 85 ALA H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1281,1282,1283,
 &end
#
# 84 ALA QB 85 ALA HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1281,1282,1283,
 &end
#
# 84 ALA QB 85 ALA QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1281,1282,1283,
 igr2=1291,1292,1293,
 &end
#
# 84 ALA QB 86 GLU H 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1281,1282,1283,
 &end
#
# 85 ALA H 85 ALA QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1291,1292,1293,
 &end
#
# 85 ALA H 86 GLU H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1297, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 85 ALA HA 86 GLU HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1289,1299, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 85 ALA HA 87 PRO QD 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1313,1314,
 &end
#
# 85 ALA HA 87 PRO QG 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1316,1317,
 &end
#
# 85 ALA QB 86 GLU H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1291,1292,1293,
 &end
#
# 85 ALA QB 86 GLU HA 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1291,1292,1293,
 &end
#
# 85 ALA QB 86 GLU QG 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1291,1292,1293,
 igr2=1304,1305,
 &end
#
# 85 ALA QB 87 PRO QD 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1291,1292,1293,
 igr2=1313,1314,
 &end
#
# 86 GLU H 86 GLU QB 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1301,1302,
 &end
#
# 86 GLU H 86 GLU QG 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1304,1305,
 &end
#
# 86 GLU H 87 PRO HA 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1322, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 86 GLU H 87 PRO QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1319,1320,
 &end
#
# 86 GLU H 87 PRO QD 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1313,1314,
 &end
#
# 86 GLU HA 86 GLU QG 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1304,1305,
 &end
#
# 86 GLU HA 87 PRO HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1322, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 86 GLU HA 87 PRO QD 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1313,1314,
 &end
#
# 86 GLU HA 87 PRO QG 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1316,1317,
 &end
#
# 86 GLU QB 87 PRO QD 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1301,1302,
 igr2=1313,1314,
 &end
#
# 86 GLU QG 87 PRO QD 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1=1304,1305,
 igr2=1313,1314,
 &end
#
# 87 PRO HA 88 LYS H 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1326, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 87 PRO HA 89 VAL H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1348, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 87 PRO QB 88 LYS H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1319,1320,
 &end
#
# 87 PRO QB 88 LYS HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1319,1320,
 &end
#
# 87 PRO QB 89 VAL H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1319,1320,
 &end
#
# 88 LYS H 88 LYS HB3 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1331, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 88 LYS H 88 LYS HG2 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1333, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 88 LYS H 88 LYS HG3 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1334, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 88 LYS H 88 LYS QD 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1336,1337,
 &end
#
# 88 LYS H 89 VAL H 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1348, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 88 LYS HA 88 LYS HG2 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1333, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 88 LYS HA 88 LYS HG3 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1334, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 88 LYS HA 88 LYS QE 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1339,1340,
 &end
#
# 88 LYS HA 89 VAL HA 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1350, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 88 LYS HB2 88 LYS QD 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1336,1337,
 &end
#
# 88 LYS HB2 88 LYS QE 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1339,1340,
 &end
#
# 88 LYS HB2 89 VAL H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,1348, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 88 LYS HB2 89 VAL HA 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,1350, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 88 LYS HB2 89 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1354,1355,1356,1358,1359,1360,
 &end
#
# 88 LYS HB2 90 ASN H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,1364, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 88 LYS HB3 88 LYS QE 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1339,1340,
 &end
#
# 88 LYS HG2 88 LYS QE 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1339,1340,
 &end
#
# 88 LYS HG3 88 LYS QD 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2=1336,1337,
 &end
#
# 88 LYS HG3 88 LYS QE 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1339,1340,
 &end
#
# 88 LYS HG3 89 VAL H 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1334,1348, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 88 LYS HG3 89 VAL HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1334,1350, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 88 LYS HG3 90 ASN HA 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1334,1366, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 88 LYS HG3 90 ASN HD21 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1334,1374, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 88 LYS HG3 90 ASN QB 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1368,1369,
 &end
#
# 88 LYS QD 89 VAL H 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1=1336,1337,
 &end
#
# 88 LYS QD 90 ASN H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1336,1337,
 &end
#
# 88 LYS QD 90 ASN HD21 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1336,1337,
 &end
#
# 88 LYS QD 90 ASN QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1336,1337,
 igr2=1368,1369,
 &end
#
# 89 VAL H 89 VAL HB 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1352, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 89 VAL H 89 VAL QQG 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1354,1355,1356,1358,1359,1360,
 &end
#
# 89 VAL H 90 ASN H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1364, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 89 VAL H 90 ASN HA 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1366, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 89 VAL H 90 ASN QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1368,1369,
 &end
#
# 89 VAL HA 89 VAL HB 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1352, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 89 VAL HA 89 VAL QQG 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1354,1355,1356,1358,1359,1360,
 &end
#
# 89 VAL HA 90 ASN H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1364, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 89 VAL HA 90 ASN HA 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1366, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 89 VAL HB 90 ASN H 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1364, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 89 VAL HB 90 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 89 VAL HB 90 ASN HD21 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1374, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 89 VAL HB 90 ASN HD22 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1373, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 89 VAL HB 90 ASN QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1368,1369,
 &end
#
# 89 VAL QQG 90 ASN H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 89 VAL QQG 90 ASN HA 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 89 VAL QQG 90 ASN HD21 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 89 VAL QQG 90 ASN HD22 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 89 VAL QQG 90 ASN QB 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1354,1355,1356,1358,1359,1360,
 igr2=1368,1369,
 &end
#
# 90 ASN H 90 ASN HD21 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1374, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 90 ASN H 90 ASN HD22 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1373, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 90 ASN H 90 ASN QB 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1368,1369,
 &end
#
# 90 ASN H 91 ARG H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1378, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 90 ASN H 91 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1382,1383,
 &end
#
# 90 ASN HA 90 ASN HD21 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1374, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 90 ASN HA 90 ASN HD22 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1373, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 90 ASN HA 90 ASN QB 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=1368,1369,
 &end
#
# 90 ASN HA 91 ARG HA 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1380, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 90 ASN HA 92 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90 ASN QB 90 ASN HD21 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr1=1368,1369,
 &end
#
# 90 ASN QB 90 ASN HD22 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1368,1369,
 &end
#
# 90 ASN QB 91 ARG HA 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=1368,1369,
 &end
#
# 91 ARG H 91 ARG QB 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1382,1383,
 &end
#
# 91 ARG H 91 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1388,1389,
 &end
#
# 91 ARG H 91 ARG QG 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1385,1386,
 &end
#
# 91 ARG H 92 GLY H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1402, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 91 ARG HA 91 ARG QB 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
 igr2=1382,1383,
 &end
#
# 91 ARG HA 91 ARG QD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1388,1389,
 &end
#
# 91 ARG HA 91 ARG QG 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1385,1386,
 &end
#
# 91 ARG HA 92 GLY H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1402, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 91 ARG HA 92 GLY QA 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1404,1405,
 &end
#
# 91 ARG QB 91 ARG HE 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1382,1383,
 &end
#
# 91 ARG QB 91 ARG QD 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1382,1383,
 igr2=1388,1389,
 &end
#
# 91 ARG QB 92 GLY H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1382,1383,
 &end
#
# 91 ARG QD 92 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1389,
 &end
#
# 91 ARG QD 92 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1388,1389,
 igr2=1404,1405,
 &end
#
# 91 ARG QG 91 ARG HE 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1385,1386,
 &end
#
# 91 ARG QG 92 GLY H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1385,1386,
 &end
#
# 91 ARG QG 92 GLY QA 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1385,1386,
 igr2=1404,1405,
 &end
#
# 92 GLY H 92 GLY QA 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2=1404,1405,
 &end
#
# 92 GLY H 93 LYS H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1409, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 92 GLY H 93 LYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1413,1414,
 &end
#
# 92 GLY QA 93 LYS H 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr1=1404,1405,
 &end
#
# 92 GLY QA 93 LYS HA 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1404,1405,
 &end
#
# 92 GLY QA 93 LYS QG 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1=1404,1405,
 igr2=1416,1417,
 &end
#
# 92 GLY QA 94 ALA H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1=1404,1405,
 &end
#
# 93 LYS H 93 LYS QB 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1413,1414,
 &end
#
# 93 LYS H 93 LYS QG 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1416,1417,
 &end
#
# 93 LYS H 94 ALA H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1431, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 93 LYS HA 93 LYS QB 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1413,1414,
 &end
#
# 93 LYS HA 93 LYS QD 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1419,1420,
 &end
#
# 93 LYS HA 93 LYS QE 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1422,1423,
 &end
#
# 93 LYS HA 93 LYS QG 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1416,1417,
 &end
#
# 93 LYS QB 93 LYS QE 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1413,1414,
 igr2=1422,1423,
 &end
#
# 93 LYS QB 94 ALA H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1413,1414,
 &end
#
# 93 LYS QB 94 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1413,1414,
 &end
#
# 93 LYS QB 94 ALA QB 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1413,1414,
 igr2=1435,1436,1437,
 &end
#
# 93 LYS QD 93 LYS QE 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1419,1420,
 igr2=1422,1423,
 &end
#
# 93 LYS QG 93 LYS QD 2.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr1=1416,1417,
 igr2=1419,1420,
 &end
#
# 93 LYS QG 93 LYS QE 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1416,1417,
 igr2=1422,1423,
 &end
#
# 94 ALA H 94 ALA QB 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1435,1436,1437,
 &end
#
# 94 ALA HA 95 GLY H 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1441, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
# 94 ALA HA 96 VAL H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1448, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 94 ALA HA 96 VAL QQG 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 94 ALA QB 95 GLY H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1435,1436,1437,
 &end
#
# 94 ALA QB 95 GLY QA 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1435,1436,1437,
 igr2=1443,1444,
 &end
#
# 94 ALA QB 96 VAL H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1435,1436,1437,
 &end
#
# 95 GLY H 95 GLY QA 2.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
 igr2=1443,1444,
 &end
#
# 95 GLY H 96 VAL H 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1448, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 95 GLY H 96 VAL QQG 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 95 GLY H 97 LYS QE 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1477,1478,
 &end
#
# 95 GLY QA 96 VAL H 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=1443,1444,
 &end
#
# 95 GLY QA 96 VAL HA 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1443,1444,
 &end
#
# 95 GLY QA 96 VAL QQG 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1=1443,1444,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 95 GLY QA 97 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1443,1444,
 &end
#
# 95 GLY QA 97 LYS QD 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1443,1444,
 igr2=1474,1475,
 &end
#
# 96 VAL H 96 VAL HB 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 96 VAL H 96 VAL QQG 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 96 VAL H 97 LYS QE 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1477,1478,
 &end
#
# 96 VAL HA 96 VAL QQG 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 96 VAL HA 97 LYS H 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1450,1464, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 96 VAL HA 97 LYS HA 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1450,1466, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 96 VAL HA 97 LYS QG 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1471,1472,
 &end
#
# 96 VAL HA 98 ARG H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1450,1486, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 96 VAL QQG 99 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1454,1455,1456,1458,1459,1460,
 &end
#
# 96 VAL QQG 97 LYS H 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1454,1455,1456,1458,1459,1460,
 &end
#
# 96 VAL QQG 98 ARG H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1454,1455,1456,1458,1459,1460,
 &end
#
# 96 VAL QQG 98 ARG HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1488, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1454,1455,1456,1458,1459,1460,
 &end
#
# 96 VAL QQG 98 ARG QD 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1454,1455,1456,1458,1459,1460,
 igr2=1496,1497,
 &end
#
# 97 LYS H 97 LYS QB 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2=1468,1469,
 &end
#
# 97 LYS H 97 LYS QD 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1474,1475,
 &end
#
# 97 LYS H 97 LYS QG 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1471,1472,
 &end
#
# 97 LYS HA 98 ARG H 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1486, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 97 LYS QB 97 LYS QG 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1=1468,1469,
 igr2=1471,1472,
 &end
#
# 97 LYS QG 97 LYS QD 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=1471,1472,
 igr2=1474,1475,
 &end
#
# 97 LYS QG 98 ARG H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1471,1472,
 &end
#
# 98 ARG H 99 SER HA 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1486,1512, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 98 ARG H 100 ALA H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1486,1521, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 98 ARG H 100 ALA QB 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1525,1526,1527,
 &end
#
# 98 ARG H 98 ARG QB 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2=1490,1491,
 &end
#
# 98 ARG H 98 ARG QD 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1496,1497,
 &end
#
# 98 ARG HA 99 SER H 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1488,1510, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 98 ARG HA 99 SER HB2 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1488,1514, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 98 ARG HA 100 ALA H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1488,1521, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 98 ARG HA 98 ARG QB 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1488,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=1490,1491,
 &end
#
# 98 ARG HA 98 ARG QD 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1488,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1496,1497,
 &end
#
# 98 ARG HA 98 ARG QG 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1488,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2=1493,1494,
 &end
#
# 98 ARG QB 99 SER H 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1=1490,1491,
 &end
#
# 98 ARG QB 100 ALA HA 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1490,1491,
 &end
#
# 98 ARG QB 101 ALA H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1531, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1490,1491,
 &end
#
# 98 ARG QB 102 GLU QG 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1490,1491,
 igr2=1548,1549,
 &end
#
# 98 ARG QB 98 ARG QD 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1490,1491,
 igr2=1496,1497,
 &end
#
# 98 ARG QB 98 ARG QG 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1=1490,1491,
 igr2=1493,1494,
 &end
#
# 98 ARG QD 99 SER H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1496,1497,
 &end
#
# 98 ARG QD 102 GLU QG 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1496,1497,
 igr2=1548,1549,
 &end
#
# 98 ARG QG 99 SER H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1493,1494,
 &end
#
# 98 ARG QG 99 SER HA 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1493,1494,
 &end
#
# 98 ARG QG 99 SER HB2 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1493,1494,
 &end
#
# 98 ARG QG 102 GLU QG 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1493,1494,
 igr2=1548,1549,
 &end
#
# 98 ARG QG 98 ARG QD 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1=1493,1494,
 igr2=1496,1497,
 &end
#
# 99 SER H 99 SER HB2 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1514, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 99 SER H 99 SER HB3 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1515, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 99 SER H 100 ALA HA 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1523, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 99 SER H 102 GLU QB 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1545,1546,
 &end
#
# 99 SER H 102 GLU QG 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1548,1549,
 &end
#
# 99 SER HA 99 SER HB2 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1512,1514, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 99 SER HA 99 SER HB3 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1512,1515, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 99 SER HA 100 ALA QB 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1525,1526,1527,
 &end
#
# 99 SER HA 101 ALA H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1512,1531, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 99 SER HB2 100 ALA H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1514,1521, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 99 SER HB2 100 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1525,1526,1527,
 &end
#
# 99 SER HB2 101 ALA H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1514,1531, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 99 SER HB2 101 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1535,1536,1537,
 &end
#
# 99 SER HB2 102 GLU H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1514,1541, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 99 SER HB2 102 GLU HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1514,1543, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 99 SER HB2 102 GLU QB 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1545,1546,
 &end
#
# 99 SER HB2 102 GLU QG 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1548,1549,
 &end
#
# 99 SER HB3 100 ALA H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1521, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 99 SER HB3 101 ALA H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1531, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 99 SER HB3 101 ALA HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1533, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 99 SER HB3 101 ALA QB 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1535,1536,1537,
 &end
#
# 99 SER HB3 102 GLU H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1541, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 99 SER HB3 102 GLU HA 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1543, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 99 SER HB3 102 GLU QB 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1545,1546,
 &end
#
# 99 SER HB3 102 GLU QG 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1548,1549,
 &end
#
# 100 ALA H 100 ALA QB 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1521,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=1525,1526,1527,
 &end
#
# 100 ALA H 101 ALA H 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1531, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 100 ALA HA 101 ALA H 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1523,1531, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 101 ALA H 101 ALA QB 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1531,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1535,1536,1537,
 &end
#
# 101 ALA H 102 GLU H 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1531,1541, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 101 ALA H 102 GLU QB 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1531,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1545,1546,
 &end
#
# 101 ALA H 102 GLU QG 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1531,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=1548,1549,
 &end
#
# 101 ALA HA 102 GLU H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1533,1541, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 101 ALA HA 102 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1533,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1548,1549,
 &end
#
# 101 ALA HA 104 TYR H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1533,1573, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 101 ALA HA 104 TYR QD 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1533,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1581,1590,
 &end
#
# 101 ALA HA 104 TYR QE 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1533,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1583,1588,
 &end
#
# 101 ALA HA 105 GLY H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1533,1594, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 101 ALA QB 102 GLU H 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1535,1536,1537,
 &end
#
# 101 ALA QB 102 GLU QG 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1535,1536,1537,
 igr2=1548,1549,
 &end
#
# 101 ALA QB 104 TYR QE 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=1535,1536,1537,
 igr2=1583,1588,
 &end
#
# 102 GLU H 102 GLU QB 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2=1545,1546,
 &end
#
# 102 GLU H 102 GLU QG 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1548,1549,
 &end
#
# 102 GLU HA 102 GLU QB 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1545,1546,
 &end
#
# 102 GLU HA 102 GLU QG 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1548,1549,
 &end
#
# 102 GLU HA 103 MET QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1563,1564,
 &end
#
# 102 GLU HA 104 TYR H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 102 GLU HA 105 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 GLU QB 102 GLU QG 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr1=1545,1546,
 igr2=1548,1549,
 &end
#
# 102 GLU QB 103 MET H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1545,1546,
 &end
#
# 102 GLU QB 103 MET QG 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1545,1546,
 igr2=1563,1564,
 &end
#
# 102 GLU QB 104 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1545,1546,
 &end
#
# 102 GLU QG 103 MET H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1548,1549,
 &end
#
# 102 GLU QG 103 MET HA 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1548,1549,
 &end
#
# 102 GLU QG 103 MET QE 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1548,1549,
 igr2=1567,1568,1569,
 &end
#
# 102 GLU QG 103 MET QG 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1548,1549,
 igr2=1563,1564,
 &end
#
# 102 GLU QG 104 TYR H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1548,1549,
 &end
#
# 102 GLU QG 104 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1548,1549,
 igr2=1583,1588,
 &end
#
# 103 MET H 103 MET QB 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=1560,1561,
 &end
#
# 103 MET H 103 MET QE 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1567,1568,1569,
 &end
#
# 103 MET H 103 MET QG 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1563,1564,
 &end
#
# 103 MET H 104 TYR QD 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1581,1590,
 &end
#
# 103 MET HA 103 MET QB 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2=1560,1561,
 &end
#
# 103 MET HA 103 MET QG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1563,1564,
 &end
#
# 103 MET HA 104 TYR H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1573, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 103 MET HA 104 TYR HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1575, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 103 MET HA 105 GLY H 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 MET QB 104 TYR H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1560,1561,
 &end
#
# 103 MET QB 104 TYR HA 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1575, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1560,1561,
 &end
#
# 103 MET QB 104 TYR QD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1560,1561,
 igr2=1581,1590,
 &end
#
# 103 MET QB 104 TYR QE 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1560,1561,
 igr2=1583,1588,
 &end
#
# 103 MET QB 105 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1560,1561,
 &end
#
# 103 MET QE 104 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1567,1568,1569,
 &end
#
# 103 MET QE 104 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1567,1568,1569,
 igr2=1583,1588,
 &end
#
# 103 MET QG 103 MET QE 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1563,1564,
 igr2=1567,1568,1569,
 &end
#
# 103 MET QG 104 TYR H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1563,1564,
 &end
#
# 103 MET QG 104 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1563,1564,
 igr2=1581,1590,
 &end
#
# 104 TYR H 104 TYR QB 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2=1577,1578,
 &end
#
# 104 TYR H 104 TYR QD 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1581,1590,
 &end
#
# 104 TYR H 105 GLY H 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1573,1594, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 104 TYR HA 104 TYR QB 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1575,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2=1577,1578,
 &end
#
# 104 TYR HA 104 TYR QD 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1575,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1581,1590,
 &end
#
# 104 TYR HA 104 TYR QE 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1575,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1583,1588,
 &end
#
# 104 TYR QB 105 GLY H 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1577,1578,
 &end
#
# 104 TYR QD 105 GLY H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1581,1590,
 &end
#
# 105 GLY H 105 GLY QA 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2=1596,1597,
 &end
#
# 18 PHE QE 106 URA H1' 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,

      rk2=20, rk3=20, ir6=1, ialtd=0,
 igr1= 272, 276,
 &end
#
# 18 PHE HZ 106 URA H1' 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1610, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 18 PHE HZ 106 URA H2' 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1625, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 18 PHE HZ 106 URA H3' 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1623, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 18 PHE HZ 106 URA H4' 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1607, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 18 PHE HZ 106 URA H6 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 PHE QE 107 URA H1' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 272, 276,
 &end
#
# 18 PHE QD 107 URA H1' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 270, 278,
 &end
#
# 53 PHE HZ 107 URA H1' 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 818,1640, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 18 PHE QE 107 URA H3' 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 272, 276,
 &end
#
# 18 PHE QE 107 URA H4' 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1637, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 272, 276,
 &end
#
# 51 PHE QR 107 URA H4' 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1637, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 784, 792, 786, 790,
 &end
#
# 53 PHE HZ 107 URA H4' 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 818,1637, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 18 PHE HZ 107 URA H5 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 HIS HE1 108 URA H1' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1670, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 53 PHE HB2 108 URA H1' 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 810,1670, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 53 PHE HB3 108 URA H1' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 811,1670, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 48 HIS HE1 108 URA H3' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1683, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 51 PHE QR 108 URA H4' 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1667, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 784, 792, 786, 790,
 &end
#
# 53 PHE QR 108 URA H4' 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1667, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 814, 822, 816, 820,
 &end
#
# 48 HIS HE1 108 URA H4' 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1667, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 51 PHE QR 108 URA Q5' 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 784, 792, 786, 790,
 igr2=1664,1665,
 &end
#
# 53 PHE HZ 108 URA H5 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 818,1675, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 51 PHE QR 108 URA H6 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 784, 792, 786, 790,
 &end
#
# 53 PHE QD 108 URA H6 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 814, 822,
 &end
#
# 48 HIS HE1 109 URA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 48 HIS HE1 109 URA H2' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1715, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 48 HIS HE1 109 URA H4' 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1697, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 48 HIS HE1 109 URA Q5' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1694,1695,
 &end
#
# 48 HIS HE1 109 URA H5 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1705, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 48 HIS HE1 109 URA H6 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1703, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 106 URA Q5' 106 URA H1' 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1604,1605,
 &end
#
# 106 URA H1' 107 URA H6 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1610,1643, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 106 URA H2' 106 URA H5 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1625,1615, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 106 URA H2' 106 URA H6 2.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1625,1613, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 106 URA H3' 106 URA H6 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1623,1613, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 106 URA Q5' 106 URA H6 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1604,1605,
 &end
#
# 107 URA H1' 108 URA H2' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1685, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 107 URA H1' 108 URA H5 2.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1675, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 107 URA H1' 108 URA H6 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1673, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 107 URA H2' 107 URA H6 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1643, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 107 URA H2' 108 URA H5 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1675, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 107 URA H3' 107 URA H6 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1653,1643, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 107 URA H3' 108 URA H6 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1653,1673, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 107 URA H4' 108 URA H4' 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1637,1667, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 107 URA H4' 108 URA Q5' 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1637,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1664,1665,
 &end
#
# 107 URA H4' 108 URA H5 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1637,1675, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 107 URA H4' 108 URA H6 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1637,1673, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 107 URA Q5' 107 URA H6 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1634,1635,
 &end
#
# 108 URA Q5' 108 URA H1' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1664,1665,
 &end
#
# 108 URA H1' 109 URA H5 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1705, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 108 URA H1' 109 URA H6 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 108 URA H2' 108 URA H5 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1675, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 108 URA H2' 109 URA H5 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1705, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 108 URA H3' 108 URA H6 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1673, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 108 URA Q5' 108 URA H6 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1664,1665,
 &end
#
# 109 URA H2' 109 URA H6 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1715,1703, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 109 URA Q5' 109 URA H6 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1703, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1694,1695,
 &end
#
# 20 GLY HA2 106 URA H1' 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,1610, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 20 GLY HA3 106 URA H1' 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 304,1610, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 21 ASN HA 106 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1610, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 51 PHE HA 106 URA H1' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,1610, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 51 PHE HB2 106 URA H1' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 780,1610, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 51 PHE HB3 106 URA H1' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,1610, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 80 ASP QB 106 URA H1' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1217,1218,
 &end
#
# 91 ARG QB 106 URA H1' 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1382,1383,
 &end
#
# 91 ARG QD 106 URA H1' 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1388,1389,
 &end
#
# 91 ARG QG 106 URA H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1385,1386,
 &end
#
# 20 GLY HA2 106 URA H2' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,1625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 GLY HA3 106 URA H2' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 304,1625, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 21 ASN HA 106 URA H2' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 21 ASN QB 106 URA H2' 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 312, 313,
 &end
#
# 91 ARG QD 106 URA H2' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1388,1389,
 &end
#
# 91 ARG QG 106 URA H2' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=1385,1386,
 &end
#
# 93 LYS HA 106 URA H2' 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1625, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 93 LYS QB 106 URA H2' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1413,1414,
 &end
#
# 20 GLY HA2 106 URA H4' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,1607, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 20 GLY HA3 106 URA H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 304,1607, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 51 PHE HA 106 URA H4' 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,1607, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 51 PHE HB2 106 URA H4' 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 780,1607, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 51 PHE HB3 106 URA H4' 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,1607, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 51 PHE HB3 106 URA Q5' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=1604,1605,
 &end
#
# 21 ASN HA 106 URA H5 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1615, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 21 ASN QB 106 URA H5 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 312, 313,
 &end
#
# 80 ASP HB2 106 URA H5 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1615, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 80 ASP HB3 106 URA H5 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1615, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 91 ARG QG 106 URA H5 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1385,1386,
 &end
#
# 92 GLY QA 106 URA H5 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1404,1405,
 &end
#
# 93 LYS HA 106 URA H5 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 93 LYS QB 106 URA H5 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1413,1414,
 &end
#
# 93 LYS QG 106 URA H5 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1416,1417,
 &end
#
# 94 ALA HA 106 URA H5 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1615, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 94 ALA QB 106 URA H5 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1435,1436,1437,
 &end
#
# 20 GLY HA2 106 URA H6 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,1613, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 21 ASN HA 106 URA H6 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 21 ASN HB2 106 URA H6 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 312,1613, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 21 ASN HB3 106 URA H6 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,1613, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 92 GLY QA 106 URA H6 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1404,1405,
 &end
#
# 93 LYS HA 106 URA H6 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1613, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 93 LYS QB 106 URA H6 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1413,1414,
 &end
#
# 93 LYS QD 106 URA H6 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1419,1420,
 &end
#
# 94 ALA HA 106 URA H6 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1613, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 13 MET QE 107 URA H1' 5.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1= 191, 192, 193,
 &end
#
# 84 ALA HA 107 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1640, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 84 ALA QB 107 URA H1' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1281,1282,1283,
 &end
#
# 91 ARG QD 107 URA H1' 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1388,1389,
 &end
#
# 91 ARG QD 107 URA H2' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1389,
 &end
#
# 91 ARG QD 107 URA H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1389,
 &end
#
# 51 PHE HB2 107 URA H4' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 780,1637, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 51 PHE HB3 107 URA H4' 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,1637, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 87 PRO HA 107 URA H5 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 91 ARG QD 107 URA H5 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1388,1389,
 &end
#
# 51 PHE HA 107 URA Q5' 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1634,1635,
 &end
#
# 51 PHE HB2 107 URA Q5' 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1634,1635,
 &end
#
# 51 PHE HB3 107 URA Q5' 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1634,1635,
 &end
#
# 87 PRO HB3 107 URA H6 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1320,1643, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 87 PRO HB2 107 URA H6 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1319,1643, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 87 PRO HG3 107 URA H6 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1643, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 91 ARG QD 107 URA H6 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1388,1389,
 &end
#
# 6 ASN HA 108 URA H1' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,1670, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 6 ASN HB2 108 URA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,1670, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 6 ASN HB3 108 URA H1' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  74,1670, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 8 THR QG2 108 URA H5 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1675, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 111, 112, 113,
 &end
#
# 13 MET QE 108 URA H5 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1675, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 191, 192, 193,
 &end
#
# 84 ALA QB 108 URA H5 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1675, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1281,1282,1283,
 &end
#
# 6 ASN HA 108 URA H6 6.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,1673, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 3 ASN HA 109 URA H1' 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,1700, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 3 ASN QB 109 URA H1' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=  29,  30,
 &end
#
# 3 ASN QD2 109 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=  34,  35,
 &end
#
# 4 VAL QQG 109 URA H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 THR QG2 109 URA H1' 6.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=  61,  62,  63,
 &end
#
# 46 SER HA 109 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 705,1700, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 46 SER HB2 109 URA H1' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 707,1700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 46 SER HB3 109 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,1700, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 4 VAL QQG 109 URA H2' 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1715, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 48 HIS HA 109 URA H4' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,1697, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 48 HIS HA 109 URA Q5' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1694,1695,
 &end
#
# 48 HIS QB 109 URA Q5' 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 734, 735,
 igr2=1694,1695,
 &end
#
# 4 VAL QQG 109 URA H5 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1705, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 THR QG2 109 URA H5 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1705, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  61,  62,  63,
 &end
#
# 6 ASN HA 109 URA H5 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,1705, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 6 ASN HB2 109 URA H5 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,1705, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 6 ASN HB3 109 URA H5 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  74,1705, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 4 VAL QQG 109 URA H6 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1703, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 6 ASN HB2 109 URA H6 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,1703, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 6 ASN HB3 109 URA H6 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  74,1703, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 13 MET QE 107 URA H3 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1649, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 191, 192, 193,
 &end
#
# 18 PHE HB2 107 URA H3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 266,1649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 PHE QD 107 URA H3 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1649, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 270, 278,
 &end
#
# 84 ALA HA 107 URA H3 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1649, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 84 ALA QB 107 URA H3 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1649, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1281,1282,1283,
 &end
#
# 85 ALA HA 107 URA H3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1289,1649, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 ALA QB 107 URA H3 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1649, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1291,1292,1293,
 &end
#
# 87 PRO QB 107 URA H3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1649, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1319,1320,
 &end
#
# 87 PRO QG 107 URA H3 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1316,1317,
 &end
#
# 6 ASN H 109 URA H5 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,1705, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 6 ASN HD21 109 URA H5 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  79,1705, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 6 ASN HD22 108 URA H1' 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,1670, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 6 ASN HD22 109 URA H5 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,1705, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 20 GLY H 106 URA H1' 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1610, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 21 ASN H 106 URA H1' 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 308,1610, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 21 ASN HD21 106 URA H5 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 91 ARG HE 107 URA H6 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1643, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 94 ALA H 106 URA H5 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1431,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 1 ALA QB 33 GLU QB 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,

      rk2=50, rk3=50, ir6=1, ialtd=0,
 igr1=   8,   9,  10,
 igr2= 507, 508,
 &end
#
# 18 PHE HB2 82 ASN H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 266,1244, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 18 PHE HB2 82 ASN QD2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1253,1254,
 &end
#
# 18 PHE HB3 82 ASN H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,1244, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 18 PHE HB3 82 ASN QD2 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1253,1254,
 &end
#
# 18 PHE QD 84 ALA H 6.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 270, 278,
 &end
#
# 18 PHE QE 51 PHE HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 272, 276,
 &end
#
# 33 GLU QB 37 SER H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 507, 508,
 &end
#
# 46 SER HB2 48 HIS HE1 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 739, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 48 HIS H 51 PHE QR 6.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr2= 784, 792, 786, 790,
 &end
#
# 48 HIS HB2 50 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 HIS HB2 51 PHE QE 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 786, 790,
 &end
#
# 48 HIS HB2 51 PHE HZ 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 788, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 48 HIS HB2 52 ALA HA 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 798, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 48 HIS QB 52 ALA QB 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 734, 735,
 igr2= 800, 801, 802,
 &end
#
# 48 HIS HB3 51 PHE QE 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 786, 790,
 &end
#
# 48 HIS HB3 51 PHE HZ 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 788, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 53 PHE QD 54 VAL HB 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 814, 822,
 &end
#
# 5 THR H 109 URA O4 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  55,1707, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, 
      rk2=60, rk3=60, ir6=1, ialtd=0,
 &end
#
# 5 THR N 109 URA O4 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=  54,1707, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 48 HIS H 51 PHE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 794, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 48 HIS N 51 PHE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 794, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 46 SER H 53 PHE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 824, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 46 SER N 53 PHE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 824, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 55 GLN H 44 GLY O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 690, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 55 GLN N 44 GLY O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 690, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 54 VAL H 17 VAL O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 260, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 54 VAL N 17 VAL O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 260, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 53 PHE H 46 SER O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 712, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 53 PHE N 46 SER O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 712, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 52 ALA H 19 ILE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 299, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 52 ALA N 19 ILE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 299, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 17 VAL H 54 VAL O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 840, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 17 VAL N 54 VAL O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 840, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 18 PHE H 82 ASN O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1256, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 18 PHE N 82 ASN O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1256, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 19 ILE H 52 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 804, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 19 ILE N 52 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 804, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 20 GLY H 80 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1223, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 20 GLY N 80 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 300,1223, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 74 ILE H 77 GLN O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1176, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 74 ILE N 77 GLN O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1176, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 77 GLN H 74 ILE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1142, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 77 GLN N 74 ILE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1142, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 35 ILE H 31 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 485, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 35 ILE N 31 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 485, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 36 PHE H 32 VAL O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 501, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 36 PHE N 32 VAL O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 501, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 69 GLU H 65 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1015, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 69 GLU N 65 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1015, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 68 GLY H 64 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1005, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 68 GLY N 64 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1005, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 67 ALA H 63 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1033, 995, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 67 ALA N 63 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1032, 995, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 66 VAL H 62 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1017, 971, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 66 VAL N 62 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1016, 971, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 65 ALA H 61 ASN O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1007, 961, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 65 ALA N 61 ASN O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1006, 961, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 64 ALA H 60 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 997, 947, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 64 ALA N 60 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 996, 947, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 63 ARG H 59 GLU O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 923, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 63 ARG N 59 GLU O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 923, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
# 1750 atoms read from pdb file amber_cycle001.pdb.
# 106 URA DELTA:  (106 RU5 C5')-(106 RU5 C4')-(106 RU5 C3')-(106 RU5 O3') 125.0 170.0
 &rst     iat =  1603,  1606,  1622,  1628,
   r1 = 124.0, r2 = 125.0, r3 = 170.0, r4 = 171.0,
   rk2 =   600, rk3 =   600,    &end

# 107 URA DELTA:  (107 RU C5')-(107 RU C4')-(107 RU C3')-(107 RU O3') 125.0 170.0
 &rst     iat =  1633,  1636,  1652,  1658,
   r1 = 124.0, r2 = 125.0, r3 = 170.0, r4 = 171.0,
 &end

# 108 URA DELTA:  (108 RU C5')-(108 RU C4')-(108 RU C3')-(108 RU O3') 125.0 170.0
 &rst     iat =  1663,  1666,  1682,  1688,
   r1 = 124.0, r2 = 125.0, r3 = 170.0, r4 = 171.0,
 &end

# 109 URA DELTA:  (109 RU C5')-(109 RU C4')-(109 RU C3')-(109 RU O3') 125.0 170.0
 &rst     iat =  1693,  1696,  1712,  1718,
   r1 = 124.0, r2 = 125.0, r3 = 170.0, r4 = 171.0,
 &end

#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,11,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 200., rk3 = 200.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=15,20,18,19, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=13,22,16,17, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=26,31,29,30, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=24,36,27,28, &end
#
#  chirality for residue 4 atoms:  CA CG1 CG2 HB
 &rst iat=40,44,48,43, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=38,52,41,42, &end
#
#  chirality for residue 5 atoms:  CA CG2 OG1 HB
 &rst iat=56,60,64,59, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=54,66,57,58, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=68,80,71,72, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=84,89,87,88, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=86,92,90,91, &end
#
#  chirality for residue 7 atoms:  CD NZ HE2 HE3
 &rst iat=92,98,96,97, &end
#
#  chirality for residue 7 atoms:  CG CE HD2 HD3
 &rst iat=89,95,93,94, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=82,102,85,86, &end
#
#  chirality for residue 8 atoms:  CA CG2 OG1 HB
 &rst iat=106,110,114,109, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=104,116,107,108, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=120,125,123,124, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=118,128,121,122, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=140,134,138,139, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=137,131,135,136, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=134,130,132,133, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=130,142,141,137, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=146,151,149,150, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=148,154,152,153, &end
#
#  chirality for residue 11 atoms:  CG NE HD2 HD3
 &rst iat=151,157,155,156, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=144,166,147,148, &end
#
#  chirality for residue 12 atoms:  CA OG HB2 HB3
 &rst iat=170,175,173,174, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=168,177,171,172, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=181,186,184,185, &end
#
#  chirality for residue 13 atoms:  CB SD HG2 HG3
 &rst iat=183,189,187,188, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=179,194,182,183, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=198,203,201,202, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=196,208,199,200, &end
#
#  chirality for residue 15 atoms:  CA OG HB2 HB3
 &rst iat=212,217,215,216, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=210,219,213,214, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=223,228,226,227, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=225,231,229,230, &end
#
#  chirality for residue 16 atoms:  CG NE HD2 HD3
 &rst iat=228,234,232,233, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=221,243,224,225, &end
#
#  chirality for residue 17 atoms:  CA CG1 CG2 HB
 &rst iat=247,251,255,250, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=245,259,248,249, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=263,268,266,267, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=261,279,264,265, &end
#
#  chirality for residue 19 atoms:  CA CG2 CG1 HB
 &rst iat=283,287,291,286, &end
#
#  chirality for residue 19 atoms:  CB CD1 HG12 HG13
 &rst iat=285,294,292,293, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=281,298,284,285, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=300,305,303,304, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=309,314,312,313, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=307,319,310,311, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=323,328,326,327, &end
#
#  chirality for residue 22 atoms:  CB CD1 CD2 HG
 &rst iat=325,330,334,329, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=321,338,324,325, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=342,347,345,346, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=340,352,343,344, &end
#
#  chirality for residue 24 atoms:  CA CG2 OG1 HB
 &rst iat=356,360,364,359, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=354,366,357,358, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=370,375,373,374, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=372,377,381,376, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=368,385,371,372, &end
#
#  chirality for residue 26 atoms:  CA CG1 CG2 HB
 &rst iat=389,393,397,392, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=387,401,390,391, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=405,409,413,408, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=403,417,406,407, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=421,426,424,425, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=423,429,427,428, &end
#
#  chirality for residue 28 atoms:  CD NZ HE2 HE3
 &rst iat=429,435,433,434, &end
#
#  chirality for residue 28 atoms:  CG CE HD2 HD3
 &rst iat=426,432,430,431, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=419,439,422,423, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=443,448,446,447, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=445,451,449,450, &end
#
#  chirality for residue 29 atoms:  CD NZ HE2 HE3
 &rst iat=451,457,455,456, &end
#
#  chirality for residue 29 atoms:  CG CE HD2 HD3
 &rst iat=448,454,452,453, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=441,461,444,445, &end
#
#  chirality for residue 30 atoms:  CA OG HB2 HB3
 &rst iat=465,470,468,469, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=463,472,466,467, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=476,481,479,480, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=474,484,477,478, &end
#
#  chirality for residue 32 atoms:  CA CG1 CG2 HB
 &rst iat=488,492,496,491, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=486,500,489,490, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=504,509,507,508, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=506,512,510,511, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=502,515,505,506, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=517,525,520,521, &end
#
#  chirality for residue 35 atoms:  CA CG2 CG1 HB
 &rst iat=529,533,537,532, &end
#
#  chirality for residue 35 atoms:  CB CD1 HG12 HG13
 &rst iat=531,540,538,539, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=527,544,530,531, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=548,553,551,552, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=546,564,549,550, &end
#
#  chirality for residue 37 atoms:  CA OG HB2 HB3
 &rst iat=568,573,571,572, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=566,575,569,570, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=579,584,582,583, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=581,587,585,586, &end
#
#  chirality for residue 38 atoms:  CD NZ HE2 HE3
 &rst iat=587,593,591,592, &end
#
#  chirality for residue 38 atoms:  CG CE HD2 HD3
 &rst iat=584,590,588,589, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=577,597,580,581, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=601,606,604,605, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=599,618,602,603, &end
#
#  chirality for residue 40 atoms:  N C HA2 HA3
 &rst iat=620,625,623,624, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=629,634,632,633, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=631,637,635,636, &end
#
#  chirality for residue 41 atoms:  CD NZ HE2 HE3
 &rst iat=637,643,641,642, &end
#
#  chirality for residue 41 atoms:  CG CE HD2 HD3
 &rst iat=634,640,638,639, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=627,647,630,631, &end
#
#  chirality for residue 42 atoms:  CA CG2 CG1 HB
 &rst iat=651,655,659,654, &end
#
#  chirality for residue 42 atoms:  CB CD1 HG12 HG13
 &rst iat=653,662,660,661, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=649,666,652,653, &end
#
#  chirality for residue 43 atoms:  CA CG1 CG2 HB
 &rst iat=670,674,678,673, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=668,682,671,672, &end
#
#  chirality for residue 44 atoms:  N C HA2 HA3
 &rst iat=684,689,687,688, &end
#
#  chirality for residue 45 atoms:  CA SG HB2 HB3
 &rst iat=693,698,696,697, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=691,700,694,695, &end
#
#  chirality for residue 46 atoms:  CA OG HB2 HB3
 &rst iat=704,709,707,708, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=702,711,705,706, &end
#
#  chirality for residue 47 atoms:  CA CG1 CG2 HB
 &rst iat=715,719,723,718, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=713,727,716,717, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=731,736,734,735, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=729,744,732,733, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=748,753,751,752, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=750,756,754,755, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=756,762,760,761, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=753,759,757,758, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=746,766,749,750, &end
#
#  chirality for residue 50 atoms:  N C HA2 HA3
 &rst iat=768,773,771,772, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=777,782,780,781, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=775,793,778,779, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=795,803,798,799, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=807,812,810,811, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=805,823,808,809, &end
#
#  chirality for residue 54 atoms:  CA CG1 CG2 HB
 &rst iat=827,831,835,830, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=825,839,828,829, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=843,848,846,847, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=845,851,849,850, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=841,856,844,845, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=860,865,863,864, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=858,877,861,862, &end
#
#  chirality for residue 57 atoms:  CA CG1 CG2 HB
 &rst iat=881,885,889,884, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=879,893,882,883, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=897,902,900,901, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=895,907,898,899, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=911,916,914,915, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=913,919,917,918, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=909,922,912,913, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=926,931,929,930, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=928,934,932,933, &end
#
#  chirality for residue 60 atoms:  CG NE HD2 HD3
 &rst iat=931,937,935,936, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=924,946,927,928, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=950,955,953,954, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=948,960,951,952, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=962,970,965,966, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=974,979,977,978, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=976,982,980,981, &end
#
#  chirality for residue 63 atoms:  CG NE HD2 HD3
 &rst iat=979,985,983,984, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=972,994,975,976, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=996,1004,999,1000, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1006,1014,1009,1010, &end
#
#  chirality for residue 66 atoms:  CA CG1 CG2 HB
 &rst iat=1018,1022,1026,1021, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1016,1030,1019,1020, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1032,1040,1035,1036, &end
#
#  chirality for residue 68 atoms:  N C HA2 HA3
 &rst iat=1042,1047,1045,1046, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1051,1056,1054,1055, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1053,1059,1057,1058, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1049,1062,1052,1053, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1066,1071,1069,1070, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1064,1074,1067,1068, &end
#
#  chirality for residue 71 atoms:  N C HA2 HA3
 &rst iat=1076,1081,1079,1080, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1085,1090,1088,1089, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1087,1093,1091,1092, &end
#
#  chirality for residue 72 atoms:  CG NE HD2 HD3
 &rst iat=1090,1096,1094,1095, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1083,1105,1086,1087, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1109,1114,1112,1113, &end
#
#  chirality for residue 73 atoms:  CB SD HG2 HG3
 &rst iat=1111,1117,1115,1116, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1107,1122,1110,1111, &end
#
#  chirality for residue 74 atoms:  CA CG2 CG1 HB
 &rst iat=1126,1130,1134,1129, &end
#
#  chirality for residue 74 atoms:  CB CD1 HG12 HG13
 &rst iat=1128,1137,1135,1136, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1124,1141,1127,1128, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1143,1151,1146,1147, &end
#
#  chirality for residue 76 atoms:  N C HA2 HA3
 &rst iat=1153,1158,1156,1157, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1162,1167,1165,1166, &end
#
#  chirality for residue 77 atoms:  CB CD HG2 HG3
 &rst iat=1164,1170,1168,1169, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1160,1175,1163,1164, &end
#
#  chirality for residue 78 atoms:  CA CG1 CG2 HB
 &rst iat=1179,1183,1187,1182, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1177,1191,1180,1181, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1195,1200,1198,1199, &end
#
#  chirality for residue 79 atoms:  CB CD1 CD2 HG
 &rst iat=1197,1202,1206,1201, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1193,1210,1196,1197, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1214,1219,1217,1218, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1212,1222,1215,1216, &end
#
#  chirality for residue 81 atoms:  CA CG2 CG1 HB
 &rst iat=1226,1230,1234,1229, &end
#
#  chirality for residue 81 atoms:  CB CD1 HG12 HG13
 &rst iat=1228,1237,1235,1236, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1224,1241,1227,1228, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1245,1250,1248,1249, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1243,1255,1246,1247, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1259,1264,1262,1263, &end
#
#  chirality for residue 83 atoms:  CB CD1 CD2 HG
 &rst iat=1261,1266,1270,1265, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1257,1274,1260,1261, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1276,1284,1279,1280, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1286,1294,1289,1290, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1298,1303,1301,1302, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1300,1306,1304,1305, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1296,1309,1299,1300, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1321,1315,1319,1320, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1318,1312,1316,1317, &end
#
#  chirality for residue 87 atoms:  CG N HD2 HD3
 &rst iat=1315,1311,1313,1314, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1311,1323,1322,1318, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1327,1332,1330,1331, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1329,1335,1333,1334, &end
#
#  chirality for residue 88 atoms:  CD NZ HE2 HE3
 &rst iat=1335,1341,1339,1340, &end
#
#  chirality for residue 88 atoms:  CG CE HD2 HD3
 &rst iat=1332,1338,1336,1337, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1325,1345,1328,1329, &end
#
#  chirality for residue 89 atoms:  CA CG1 CG2 HB
 &rst iat=1349,1353,1357,1352, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1347,1361,1350,1351, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1365,1370,1368,1369, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1363,1375,1366,1367, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1379,1384,1382,1383, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1381,1387,1385,1386, &end
#
#  chirality for residue 91 atoms:  CG NE HD2 HD3
 &rst iat=1384,1390,1388,1389, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1377,1399,1380,1381, &end
#
#  chirality for residue 92 atoms:  N C HA2 HA3
 &rst iat=1401,1406,1404,1405, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1410,1415,1413,1414, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1412,1418,1416,1417, &end
#
#  chirality for residue 93 atoms:  CD NZ HE2 HE3
 &rst iat=1418,1424,1422,1423, &end
#
#  chirality for residue 93 atoms:  CG CE HD2 HD3
 &rst iat=1415,1421,1419,1420, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1408,1428,1411,1412, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1430,1438,1433,1434, &end
#
#  chirality for residue 95 atoms:  N C HA2 HA3
 &rst iat=1440,1445,1443,1444, &end
#
#  chirality for residue 96 atoms:  CA CG1 CG2 HB
 &rst iat=1449,1453,1457,1452, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1447,1461,1450,1451, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1465,1470,1468,1469, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1467,1473,1471,1472, &end
#
#  chirality for residue 97 atoms:  CD NZ HE2 HE3
 &rst iat=1473,1479,1477,1478, &end
#
#  chirality for residue 97 atoms:  CG CE HD2 HD3
 &rst iat=1470,1476,1474,1475, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1463,1483,1466,1467, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1487,1492,1490,1491, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1489,1495,1493,1494, &end
#
#  chirality for residue 98 atoms:  CG NE HD2 HD3
 &rst iat=1492,1498,1496,1497, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1485,1507,1488,1489, &end
#
#  chirality for residue 99 atoms:  CA OG HB2 HB3
 &rst iat=1511,1516,1514,1515, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1509,1518,1512,1513, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1520,1528,1523,1524, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1530,1538,1533,1534, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1542,1547,1545,1546, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1544,1550,1548,1549, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1540,1553,1543,1544, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1557,1562,1560,1561, &end
#
#  chirality for residue 103 atoms:  CB SD HG2 HG3
 &rst iat=1559,1565,1563,1564, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1555,1570,1558,1559, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1574,1579,1577,1578, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1572,1591,1575,1576, &end
#
#  chirality for residue 105 atoms:  N C HA2 HA3
 &rst iat=1593,1598,1596,1597, &end
#
#  chirality for residue 106 atoms:  C2' O4' N1 H1'
 &rst iat=1624,1608,1611,1610, &end
#
#  chirality for residue 106 atoms:  C3' C1' H2'1 O2'
 &rst iat=1622,1609,1625,1626, &end
#
#  chirality for residue 106 atoms:  O3' C2' C4' H3'
 &rst iat=1628,1624,1606,1623, &end
#
#  chirality for residue 106 atoms:  C3' C5' O4' H4'
 &rst iat=1622,1603,1608,1607, &end
#
#  chirality for residue 106 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1606,1602,1604,1605, &end
#
#  chirality for residue 107 atoms:  C2' O4' N1 H1'
 &rst iat=1654,1638,1641,1640, &end
#
#  chirality for residue 107 atoms:  C3' C1' H2'1 O2'
 &rst iat=1652,1639,1655,1656, &end
#
#  chirality for residue 107 atoms:  O3' C2' C4' H3'
 &rst iat=1658,1654,1636,1653, &end
#
#  chirality for residue 107 atoms:  C3' C5' O4' H4'
 &rst iat=1652,1633,1638,1637, &end
#
#  chirality for residue 107 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1636,1632,1634,1635, &end
#
#  chirality for residue 108 atoms:  C2' O4' N1 H1'
 &rst iat=1684,1668,1671,1670, &end
#
#  chirality for residue 108 atoms:  C3' C1' H2'1 O2'
 &rst iat=1682,1669,1685,1686, &end
#
#  chirality for residue 108 atoms:  O3' C2' C4' H3'
 &rst iat=1688,1684,1666,1683, &end
#
#  chirality for residue 108 atoms:  C3' C5' O4' H4'
 &rst iat=1682,1663,1668,1667, &end
#
#  chirality for residue 108 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1666,1662,1664,1665, &end
#
#  chirality for residue 109 atoms:  C2' O4' N1 H1'
 &rst iat=1714,1698,1701,1700, &end
#
#  chirality for residue 109 atoms:  C3' C1' H2'1 O2'
 &rst iat=1712,1699,1715,1716, &end
#
#  chirality for residue 109 atoms:  O3' C2' C4' H3'
 &rst iat=1718,1714,1696,1713, &end
#
#  chirality for residue 109 atoms:  C3' C5' O4' H4'
 &rst iat=1712,1693,1698,1697, &end
#
#  chirality for residue 109 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1696,1692,1694,1695, &end
#
#  chirality for residue 110 atoms:  C2' O4' N1 H1'
 &rst iat=1745,1728,1731,1730, &end
#
#  chirality for residue 110 atoms:  C3' C1' H2'1 O2'
 &rst iat=1743,1729,1746,1747, &end
#
#  chirality for residue 110 atoms:  O3' C2' C4' H3'
 &rst iat=1749,1745,1726,1744, &end
#
#  chirality for residue 110 atoms:  C3' C5' O4' H4'
 &rst iat=1743,1723,1728,1727, &end
#
#  chirality for residue 110 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1726,1722,1724,1725, &end
#
#  trans-omega constraint for residue 2
 &rst iat=15,13,11,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 200., rk3=200.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=26,24,22,15, &end
#
#  trans-omega constraint for residue 4
 &rst iat=40,38,36,26, &end
#
#  trans-omega constraint for residue 5
 &rst iat=56,54,52,40, &end
#
#  trans-omega constraint for residue 6
 &rst iat=70,68,66,56, &end
#
#  trans-omega constraint for residue 7
 &rst iat=84,82,80,70, &end
#
#  trans-omega constraint for residue 8
 &rst iat=106,104,102,84, &end
#
#  trans-omega constraint for residue 9
 &rst iat=120,118,116,106, &end
#
#  trans-omega constraint for residue 10
 &rst iat=140,130,128,120, &end
#
#  trans-omega constraint for residue 11
 &rst iat=146,144,142,140, &end
#
#  trans-omega constraint for residue 12
 &rst iat=170,168,166,146, &end
#
#  trans-omega constraint for residue 13
 &rst iat=181,179,177,170, &end
#
#  trans-omega constraint for residue 14
 &rst iat=198,196,194,181, &end
#
#  trans-omega constraint for residue 15
 &rst iat=212,210,208,198, &end
#
#  trans-omega constraint for residue 16
 &rst iat=223,221,219,212, &end
#
#  trans-omega constraint for residue 17
 &rst iat=247,245,243,223, &end
#
#  trans-omega constraint for residue 18
 &rst iat=263,261,259,247, &end
#
#  trans-omega constraint for residue 19
 &rst iat=283,281,279,263, &end
#
#  trans-omega constraint for residue 20
 &rst iat=302,300,298,283, &end
#
#  trans-omega constraint for residue 21
 &rst iat=309,307,305,302, &end
#
#  trans-omega constraint for residue 22
 &rst iat=323,321,319,309, &end
#
#  trans-omega constraint for residue 23
 &rst iat=342,340,338,323, &end
#
#  trans-omega constraint for residue 24
 &rst iat=356,354,352,342, &end
#
#  trans-omega constraint for residue 25
 &rst iat=370,368,366,356, &end
#
#  trans-omega constraint for residue 26
 &rst iat=389,387,385,370, &end
#
#  trans-omega constraint for residue 27
 &rst iat=405,403,401,389, &end
#
#  trans-omega constraint for residue 28
 &rst iat=421,419,417,405, &end
#
#  trans-omega constraint for residue 29
 &rst iat=443,441,439,421, &end
#
#  trans-omega constraint for residue 30
 &rst iat=465,463,461,443, &end
#
#  trans-omega constraint for residue 31
 &rst iat=476,474,472,465, &end
#
#  trans-omega constraint for residue 32
 &rst iat=488,486,484,476, &end
#
#  trans-omega constraint for residue 33
 &rst iat=504,502,500,488, &end
#
#  trans-omega constraint for residue 34
 &rst iat=519,517,515,504, &end
#
#  trans-omega constraint for residue 35
 &rst iat=529,527,525,519, &end
#
#  trans-omega constraint for residue 36
 &rst iat=548,546,544,529, &end
#
#  trans-omega constraint for residue 37
 &rst iat=568,566,564,548, &end
#
#  trans-omega constraint for residue 38
 &rst iat=579,577,575,568, &end
#
#  trans-omega constraint for residue 39
 &rst iat=601,599,597,579, &end
#
#  trans-omega constraint for residue 40
 &rst iat=622,620,618,601, &end
#
#  trans-omega constraint for residue 41
 &rst iat=629,627,625,622, &end
#
#  trans-omega constraint for residue 42
 &rst iat=651,649,647,629, &end
#
#  trans-omega constraint for residue 43
 &rst iat=670,668,666,651, &end
#
#  trans-omega constraint for residue 44
 &rst iat=686,684,682,670, &end
#
#  trans-omega constraint for residue 45
 &rst iat=693,691,689,686, &end
#
#  trans-omega constraint for residue 46
 &rst iat=704,702,700,693, &end
#
#  trans-omega constraint for residue 47
 &rst iat=715,713,711,704, &end
#
#  trans-omega constraint for residue 48
 &rst iat=731,729,727,715, &end
#
#  trans-omega constraint for residue 49
 &rst iat=748,746,744,731, &end
#
#  trans-omega constraint for residue 50
 &rst iat=770,768,766,748, &end
#
#  trans-omega constraint for residue 51
 &rst iat=777,775,773,770, &end
#
#  trans-omega constraint for residue 52
 &rst iat=797,795,793,777, &end
#
#  trans-omega constraint for residue 53
 &rst iat=807,805,803,797, &end
#
#  trans-omega constraint for residue 54
 &rst iat=827,825,823,807, &end
#
#  trans-omega constraint for residue 55
 &rst iat=843,841,839,827, &end
#
#  trans-omega constraint for residue 56
 &rst iat=860,858,856,843, &end
#
#  trans-omega constraint for residue 57
 &rst iat=881,879,877,860, &end
#
#  trans-omega constraint for residue 58
 &rst iat=897,895,893,881, &end
#
#  trans-omega constraint for residue 59
 &rst iat=911,909,907,897, &end
#
#  trans-omega constraint for residue 60
 &rst iat=926,924,922,911, &end
#
#  trans-omega constraint for residue 61
 &rst iat=950,948,946,926, &end
#
#  trans-omega constraint for residue 62
 &rst iat=964,962,960,950, &end
#
#  trans-omega constraint for residue 63
 &rst iat=974,972,970,964, &end
#
#  trans-omega constraint for residue 64
 &rst iat=998,996,994,974, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1008,1006,1004,998, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1018,1016,1014,1008, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1034,1032,1030,1018, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1044,1042,1040,1034, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1051,1049,1047,1044, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1066,1064,1062,1051, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1078,1076,1074,1066, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1085,1083,1081,1078, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1109,1107,1105,1085, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1126,1124,1122,1109, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1145,1143,1141,1126, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1155,1153,1151,1145, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1162,1160,1158,1155, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1179,1177,1175,1162, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1195,1193,1191,1179, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1214,1212,1210,1195, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1226,1224,1222,1214, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1245,1243,1241,1226, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1259,1257,1255,1245, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1278,1276,1274,1259, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1288,1286,1284,1278, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1298,1296,1294,1288, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1321,1311,1309,1298, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1327,1325,1323,1321, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1349,1347,1345,1327, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1365,1363,1361,1349, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1379,1377,1375,1365, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1403,1401,1399,1379, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1410,1408,1406,1403, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1432,1430,1428,1410, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1442,1440,1438,1432, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1449,1447,1445,1442, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1465,1463,1461,1449, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1487,1485,1483,1465, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1511,1509,1507,1487, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1522,1520,1518,1511, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1532,1530,1528,1522, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1542,1540,1538,1532, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1557,1555,1553,1542, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1574,1572,1570,1557, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1595,1593,1591,1574, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   2           H1       ALA   2  11.725   8.725  -5.516
    2    H2   ALA   2           H2       ALA   2  11.100   7.344  -4.851
    3    H3   ALA   2           H3       ALA   2  10.691   7.779  -6.396
    4    HA   ALA   2           HA       ALA   2   9.579   9.728  -5.620
    5    HB1  ALA   2           HB1      ALA   2   8.647   7.181  -4.238
    6    HB2  ALA   2           HB2      ALA   2   7.649   8.608  -4.592
    7    HB3  ALA   2           HB3      ALA   2   8.300   7.635  -5.925
    8    H    SER   3           H        SER   3   8.388  10.603  -3.612
    9    HA   SER   3           HA       SER   3  10.343  11.394  -1.685
   10    HB2  SER   3           HB2      SER   3   7.319  11.661  -1.663
   11    HB3  SER   3           HB3      SER   3   8.448  12.544  -0.615
   12    HG   SER   3           HG       SER   3   7.863  13.741  -2.490
   13    H    ASN   4           H        ASN   4  10.188  11.145   0.665
   14    HA   ASN   4           HA       ASN   4   9.693   8.341   1.372
   15    HB2  ASN   4           HB2      ASN   4  11.805   9.601   1.925
   16    HB3  ASN   4           HB3      ASN   4  10.851  10.627   3.004
   17   HD21  ASN   4          HD21      ASN   4  12.290   9.924   4.713
   18   HD22  ASN   4          HD22      ASN   4  12.049   8.372   5.480
   19    H    VAL   5           H        VAL   5   7.711  10.966   1.175
   20    HA   VAL   5           HA       VAL   5   6.438  10.633   3.816
   21    HB   VAL   5           HB       VAL   5   6.037  12.669   1.604
   22   HG11  VAL   5          HG11      VAL   5   4.799  12.497   4.391
   23   HG12  VAL   5          HG12      VAL   5   4.643  13.865   3.268
   24   HG13  VAL   5          HG13      VAL   5   3.923  12.300   2.855
   25   HG21  VAL   5          HG21      VAL   5   7.283  12.807   4.382
   26   HG22  VAL   5          HG22      VAL   5   8.167  12.861   2.840
   27   HG23  VAL   5          HG23      VAL   5   7.063  14.184   3.282
   28    H    THR   6           H        THR   6   4.562   9.681   4.180
   29    HA   THR   6           HA       THR   6   2.723   9.007   1.987
   30    HB   THR   6           HB       THR   6   2.705   6.609   2.623
   31    HG1  THR   6           HG1      THR   6   3.556   6.716   4.673
   32   HG21  THR   6          HG21      THR   6   4.134   7.346   0.716
   33   HG22  THR   6          HG22      THR   6   5.518   7.464   1.847
   34   HG23  THR   6          HG23      THR   6   4.743   5.902   1.551
   35    H    ASN   7           H        ASN   7   3.038  10.324   5.004
   36    HA   ASN   7           HA       ASN   7   0.775   8.774   6.118
   37    HB2  ASN   7           HB2      ASN   7   1.476   9.383   8.292
   38    HB3  ASN   7           HB3      ASN   7   2.882   8.810   7.402
   39   HD21  ASN   7          HD21      ASN   7   3.847   9.969   9.346
   40   HD22  ASN   7          HD22      ASN   7   4.254  11.659   9.132
   41    H    LYS   8           H        LYS   8   0.619  11.144   4.138
   42    HA   LYS   8           HA       LYS   8  -0.662  13.264   5.558
   43    HB2  LYS   8           HB2      LYS   8  -0.916  12.355   2.669
   44    HB3  LYS   8           HB3      LYS   8  -1.552  13.881   3.326
   45    HG2  LYS   8           HG2      LYS   8   0.762  14.462   4.098
   46    HG3  LYS   8           HG3      LYS   8   1.367  13.019   3.258
   47    HD2  LYS   8           HD2      LYS   8  -0.116  15.348   1.972
   48    HD3  LYS   8           HD3      LYS   8   1.635  15.071   1.895
   49    HE2  LYS   8           HE2      LYS   8   1.239  12.905   0.748
   50    HE3  LYS   8           HE3      LYS   8  -0.503  13.197   0.797
   51    HZ1  LYS   8           HZ1      LYS   8  -0.147  15.169  -0.534
   52    HZ2  LYS   8           HZ2      LYS   8   1.474  14.888  -0.589
   53    HZ3  LYS   8           HZ3      LYS   8   0.427  13.841  -1.309
   54    H    THR   9           H        THR   9  -2.815  13.673   5.994
   55    HA   THR   9           HA       THR   9  -4.528  11.238   5.999
   56    HB   THR   9           HB       THR   9  -5.537  12.147   8.053
   57    HG1  THR   9           HG1      THR   9  -4.458  13.889   9.042
   58   HG21  THR   9          HG21      THR   9  -3.656  11.654   9.525
   59   HG22  THR   9          HG22      THR   9  -3.626  10.546   8.139
   60   HG23  THR   9          HG23      THR   9  -2.500  11.924   8.202
   61    H    ASP  10           H        ASP  10  -4.335  13.716   4.043
   62    HA   ASP  10           HA       ASP  10  -6.818  15.076   4.288
   63    HB2  ASP  10           HB2      ASP  10  -5.124  14.486   1.827
   64    HB3  ASP  10           HB3      ASP  10  -6.429  15.673   1.902
   65    HA   PRO  11           HA       PRO  11  -9.799  12.146   3.165
   66    HB2  PRO  11           HB2      PRO  11 -11.684  13.590   1.786
   67    HB3  PRO  11           HB3      PRO  11 -11.367  13.790   3.543
   68    HG2  PRO  11           HG2      PRO  11 -10.234  15.423   1.248
   69    HG3  PRO  11           HG3      PRO  11 -11.037  16.025   2.741
   70    HD2  PRO  11           HD2      PRO  11  -8.341  15.906   2.583
   71    HD3  PRO  11           HD3      PRO  11  -9.178  15.411   4.087
   72    H    ARG  12           H        ARG  12  -7.729  13.316   0.815
   73    HA   ARG  12           HA       ARG  12  -8.818  11.361  -1.172
   74    HB2  ARG  12           HB2      ARG  12  -8.901  13.990  -1.608
   75    HB3  ARG  12           HB3      ARG  12  -7.218  13.729  -2.077
   76    HG2  ARG  12           HG2      ARG  12  -9.641  12.256  -3.194
   77    HG3  ARG  12           HG3      ARG  12  -8.818  13.610  -3.978
   78    HD2  ARG  12           HD2      ARG  12  -7.693  10.843  -3.437
   79    HD3  ARG  12           HD3      ARG  12  -8.086  11.554  -5.004
   80    HE   ARG  12           HE       ARG  12  -5.686  12.012  -3.398
   81   HH11  ARG  12          HH11      ARG  12  -7.719  13.263  -6.009
   82   HH12  ARG  12          HH12      ARG  12  -6.451  14.269  -6.671
   83   HH21  ARG  12          HH21      ARG  12  -4.059  13.357  -4.271
   84   HH22  ARG  12          HH22      ARG  12  -4.388  14.313  -5.694
   85    H    SER  13           H        SER  13  -6.021  12.878   0.444
   86    HA   SER  13           HA       SER  13  -4.059  11.400  -1.069
   87    HB2  SER  13           HB2      SER  13  -3.849  12.822   1.610
   88    HB3  SER  13           HB3      SER  13  -2.485  12.262   0.616
   89    HG   SER  13           HG       SER  13  -3.028  14.489   0.293
   90    H    MET  14           H        MET  14  -6.022  10.652   1.808
   91    HA   MET  14           HA       MET  14  -4.255   8.360   2.323
   92    HB2  MET  14           HB2      MET  14  -5.286   8.054   4.330
   93    HB3  MET  14           HB3      MET  14  -5.235   9.820   4.147
   94    HG2  MET  14           HG2      MET  14  -7.596   9.846   3.506
   95    HG3  MET  14           HG3      MET  14  -7.657   8.084   3.543
   96    HE1  MET  14           HE1      MET  14  -7.112   7.312   7.391
   97    HE2  MET  14           HE2      MET  14  -7.174   6.629   5.748
   98    HE3  MET  14           HE3      MET  14  -5.766   7.578   6.280
   99    H    ASN  15           H        ASN  15  -6.670   8.989   0.148
  100    HA   ASN  15           HA       ASN  15  -7.569   6.145   0.115
  101    HB2  ASN  15           HB2      ASN  15  -8.710   8.663  -1.139
  102    HB3  ASN  15           HB3      ASN  15  -9.265   7.032  -1.533
  103   HD21  ASN  15          HD21      ASN  15  -9.573   9.657   0.675
  104   HD22  ASN  15          HD22      ASN  15 -10.557   8.835   1.866
  105    H    SER  16           H        SER  16  -5.657   8.583  -1.584
  106    HA   SER  16           HA       SER  16  -5.182   6.767  -3.835
  107    HB2  SER  16           HB2      SER  16  -3.633   8.519  -4.583
  108    HB3  SER  16           HB3      SER  16  -5.246   9.177  -4.217
  109    HG   SER  16           HG       SER  16  -3.499  10.414  -3.339
  110    H    ARG  17           H        ARG  17  -4.355   6.534  -0.706
  111    HA   ARG  17           HA       ARG  17  -1.548   5.676  -1.187
  112    HB2  ARG  17           HB2      ARG  17  -1.969   7.206   0.672
  113    HB3  ARG  17           HB3      ARG  17  -3.099   6.035   1.393
  114    HG2  ARG  17           HG2      ARG  17  -1.391   4.455   1.831
  115    HG3  ARG  17           HG3      ARG  17  -0.257   5.235   0.704
  116    HD2  ARG  17           HD2      ARG  17   0.369   5.673   3.024
  117    HD3  ARG  17           HD3      ARG  17  -0.018   7.146   2.137
  118    HE   ARG  17           HE       ARG  17  -1.750   5.841   4.202
  119   HH11  ARG  17          HH11      ARG  17  -0.982   8.674   2.201
  120   HH12  ARG  17          HH12      ARG  17  -1.949   9.747   3.190
  121   HH21  ARG  17          HH21      ARG  17  -2.949   7.286   5.457
  122   HH22  ARG  17          HH22      ARG  17  -3.052   8.977   4.991
  123    H    VAL  18           H        VAL  18  -0.874   3.574  -0.550
  124    HA   VAL  18           HA       VAL  18  -3.053   1.572  -0.194
  125    HB   VAL  18           HB       VAL  18  -0.545   1.310  -1.900
  126   HG11  VAL  18          HG11      VAL  18  -2.813  -0.637  -1.287
  127   HG12  VAL  18          HG12      VAL  18  -1.540  -0.885  -2.507
  128   HG13  VAL  18          HG13      VAL  18  -1.110  -0.807  -0.792
  129   HG21  VAL  18          HG21      VAL  18  -2.253   2.670  -3.005
  130   HG22  VAL  18          HG22      VAL  18  -2.240   1.035  -3.720
  131   HG23  VAL  18          HG23      VAL  18  -3.511   1.487  -2.570
  132    H    PHE  19           H        PHE  19  -2.841   0.338   1.512
  133    HA   PHE  19           HA       PHE  19  -0.370   0.356   3.110
  134    HB2  PHE  19           HB2      PHE  19  -2.549   0.664   4.198
  135    HB3  PHE  19           HB3      PHE  19  -3.139  -0.841   3.509
  136    HD1  PHE  19           HD1      PHE  19   0.129  -0.104   5.218
  137    HD2  PHE  19           HD2      PHE  19  -3.605  -2.243   5.303
  138    HE1  PHE  19           HE1      PHE  19   0.872  -1.342   7.242
  139    HE2  PHE  19           HE2      PHE  19  -2.853  -3.478   7.302
  140    HZ   PHE  19           HZ       PHE  19  -0.608  -3.054   8.267
  141    H    ILE  20           H        ILE  20   1.080  -1.278   3.129
  142    HA   ILE  20           HA       ILE  20   0.373  -3.824   1.733
  143    HB   ILE  20           HB       ILE  20   3.014  -2.337   1.821
  144   HG12  ILE  20          HG12      ILE  20   1.383  -2.979  -0.659
  145   HG13  ILE  20          HG11      ILE  20   1.127  -1.491   0.252
  146   HG21  ILE  20          HG21      ILE  20   3.361  -4.789   1.846
  147   HG22  ILE  20          HG22      ILE  20   2.292  -4.969   0.443
  148   HG23  ILE  20          HG23      ILE  20   3.841  -4.112   0.288
  149   HD11  ILE  20          HD11      ILE  20   3.515  -0.900  -0.012
  150   HD12  ILE  20          HD12      ILE  20   3.773  -2.380  -0.966
  151   HD13  ILE  20          HD13      ILE  20   2.695  -1.101  -1.575
  152    H    GLY  21           H        GLY  21  -0.329  -4.693   3.718
  153    HA2  GLY  21           HA2      GLY  21   1.573  -4.869   5.959
  154    HA3  GLY  21           HA3      GLY  21  -0.068  -5.518   5.895
  155    H    ASN  22           H        ASN  22   1.703  -7.161   6.972
  156    HA   ASN  22           HA       ASN  22   2.736  -9.170   6.861
  157    HB2  ASN  22           HB2      ASN  22   0.300  -9.590   6.134
  158    HB3  ASN  22           HB3      ASN  22   0.929  -9.740   4.495
  159   HD21  ASN  22          HD21      ASN  22   1.885 -11.689   3.877
  160   HD22  ASN  22          HD22      ASN  22   2.049 -13.053   4.952
  161    H    LEU  23           H        LEU  23   4.227  -7.182   5.637
  162    HA   LEU  23           HA       LEU  23   5.266  -8.305   3.111
  163    HB2  LEU  23           HB2      LEU  23   4.721  -5.914   3.274
  164    HB3  LEU  23           HB3      LEU  23   5.845  -5.734   4.627
  165    HG   LEU  23           HG       LEU  23   7.735  -6.312   3.152
  166   HD11  LEU  23          HD11      LEU  23   5.618  -6.383   0.959
  167   HD12  LEU  23          HD12      LEU  23   7.372  -6.365   0.687
  168   HD13  LEU  23          HD13      LEU  23   6.623  -7.750   1.506
  169   HD21  LEU  23          HD21      LEU  23   5.926  -4.142   2.020
  170   HD22  LEU  23          HD22      LEU  23   6.964  -3.966   3.453
  171   HD23  LEU  23          HD23      LEU  23   7.698  -4.233   1.854
  172    H    ASN  24           H        ASN  24   7.456  -9.027   2.876
  173    HA   ASN  24           HA       ASN  24   8.520 -10.267   5.240
  174    HB2  ASN  24           HB2      ASN  24   8.740 -11.100   2.831
  175    HB3  ASN  24           HB3      ASN  24   9.904  -9.810   2.563
  176   HD21  ASN  24          HD21      ASN  24  11.833 -10.928   2.377
  177   HD22  ASN  24          HD22      ASN  24  12.465 -12.004   3.605
  178    H    THR  25           H        THR  25   9.370  -7.403   3.364
  179    HA   THR  25           HA       THR  25  10.714  -5.660   3.620
  180    HB   THR  25           HB       THR  25  10.826  -4.575   5.749
  181    HG1  THR  25           HG1      THR  25  10.077  -7.105   6.752
  182   HG21  THR  25          HG21      THR  25   8.687  -4.566   4.559
  183   HG22  THR  25          HG22      THR  25   8.193  -6.067   5.392
  184   HG23  THR  25          HG23      THR  25   8.418  -4.569   6.313
  185    H    LEU  26           H        LEU  26  11.949  -8.627   4.567
  186    HA   LEU  26           HA       LEU  26  14.598  -7.602   5.323
  187    HB2  LEU  26           HB2      LEU  26  13.168 -10.219   5.221
  188    HB3  LEU  26           HB3      LEU  26  14.916 -10.271   4.974
  189    HG   LEU  26           HG       LEU  26  14.301 -10.645   7.329
  190   HD11  LEU  26          HD11      LEU  26  15.772  -8.002   6.945
  191   HD12  LEU  26          HD12      LEU  26  15.903  -9.118   8.317
  192   HD13  LEU  26          HD13      LEU  26  16.485  -9.619   6.715
  193   HD21  LEU  26          HD21      LEU  26  12.300  -9.242   7.474
  194   HD22  LEU  26          HD22      LEU  26  13.491  -8.799   8.719
  195   HD23  LEU  26          HD23      LEU  26  13.289  -7.773   7.281
  196    H    VAL  27           H        VAL  27  12.902  -8.392   2.418
  197    HA   VAL  27           HA       VAL  27  15.499  -8.334   0.942
  198    HB   VAL  27           HB       VAL  27  13.027  -9.985   0.294
  199   HG11  VAL  27          HG11      VAL  27  15.726  -9.769  -1.113
  200   HG12  VAL  27          HG12      VAL  27  14.478 -10.985  -1.472
  201   HG13  VAL  27          HG13      VAL  27  14.145  -9.273  -1.772
  202   HG21  VAL  27          HG21      VAL  27  14.325 -10.930   2.169
  203   HG22  VAL  27          HG22      VAL  27  14.514 -11.922   0.710
  204   HG23  VAL  27          HG23      VAL  27  15.814 -10.811   1.207
  205    H    VAL  28           H        VAL  28  12.290  -7.062   1.378
  206    HA   VAL  28           HA       VAL  28  12.623  -5.457  -1.120
  207    HB   VAL  28           HB       VAL  28  10.099  -6.071   0.455
  208   HG11  VAL  28          HG11      VAL  28  10.534  -4.574  -2.167
  209   HG12  VAL  28          HG12      VAL  28   8.957  -4.991  -1.458
  210   HG13  VAL  28          HG13      VAL  28  10.022  -3.847  -0.623
  211   HG21  VAL  28          HG21      VAL  28  11.157  -7.036  -2.241
  212   HG22  VAL  28          HG22      VAL  28  10.881  -8.032  -0.793
  213   HG23  VAL  28          HG23      VAL  28   9.504  -7.312  -1.654
  214    H    LYS  29           H        LYS  29  12.778  -3.305  -1.021
  215    HA   LYS  29           HA       LYS  29  12.500  -1.937   1.627
  216    HB2  LYS  29           HB2      LYS  29  14.835  -1.885  -0.320
  217    HB3  LYS  29           HB3      LYS  29  14.504  -0.560   0.789
  218    HG2  LYS  29           HG2      LYS  29  16.072  -1.809   1.930
  219    HG3  LYS  29           HG3      LYS  29  14.541  -2.254   2.693
  220    HD2  LYS  29           HD2      LYS  29  14.527  -4.381   1.395
  221    HD3  LYS  29           HD3      LYS  29  16.007  -3.869   0.559
  222    HE2  LYS  29           HE2      LYS  29  16.543  -5.425   2.367
  223    HE3  LYS  29           HE3      LYS  29  17.209  -3.825   2.725
  224    HZ1  LYS  29           HZ1      LYS  29  16.134  -4.798   4.627
  225    HZ2  LYS  29           HZ2      LYS  29  15.346  -3.429   4.167
  226    HZ3  LYS  29           HZ3      LYS  29  14.696  -4.898   3.831
  227    H    LYS  30           H        LYS  30  12.659   0.503   1.233
  228    HA   LYS  30           HA       LYS  30  10.422   1.269  -0.368
  229    HB2  LYS  30           HB2      LYS  30  11.046   3.552   0.376
  230    HB3  LYS  30           HB3      LYS  30  10.978   2.358   1.682
  231    HG2  LYS  30           HG2      LYS  30  13.607   2.126   1.099
  232    HG3  LYS  30           HG3      LYS  30  13.362   3.790   0.535
  233    HD2  LYS  30           HD2      LYS  30  12.584   2.661   3.256
  234    HD3  LYS  30           HD3      LYS  30  14.024   3.649   2.939
  235    HE2  LYS  30           HE2      LYS  30  12.599   5.523   2.188
  236    HE3  LYS  30           HE3      LYS  30  11.146   4.553   2.479
  237    HZ1  LYS  30           HZ1      LYS  30  11.758   4.465   4.810
  238    HZ2  LYS  30           HZ2      LYS  30  13.091   5.386   4.525
  239    HZ3  LYS  30           HZ3      LYS  30  11.585   6.016   4.300
  240    H    SER  31           H        SER  31  13.586   0.603  -1.334
  241    HA   SER  31           HA       SER  31  13.441   2.418  -3.676
  242    HB2  SER  31           HB2      SER  31  15.651   0.559  -2.729
  243    HB3  SER  31           HB3      SER  31  15.748   1.708  -4.088
  244    HG   SER  31           HG       SER  31  16.618   2.563  -2.148
  245    H    ASP  32           H        ASP  32  12.191  -0.523  -2.810
  246    HA   ASP  32           HA       ASP  32  12.468  -1.677  -5.551
  247    HB2  ASP  32           HB2      ASP  32  12.080  -2.925  -2.802
  248    HB3  ASP  32           HB3      ASP  32  11.893  -3.816  -4.303
  249    H    VAL  33           H        VAL  33  10.270  -0.828  -2.845
  250    HA   VAL  33           HA       VAL  33   7.901  -1.934  -4.008
  251    HB   VAL  33           HB       VAL  33   8.360   0.361  -2.067
  252   HG11  VAL  33          HG11      VAL  33   5.800  -1.190  -2.654
  253   HG12  VAL  33          HG12      VAL  33   6.004   0.064  -1.415
  254   HG13  VAL  33          HG13      VAL  33   6.111   0.497  -3.135
  255   HG21  VAL  33          HG21      VAL  33   9.161  -1.834  -1.260
  256   HG22  VAL  33          HG22      VAL  33   7.709  -1.327  -0.374
  257   HG23  VAL  33          HG23      VAL  33   7.586  -2.561  -1.649
  258    H    GLU  34           H        GLU  34   9.694   1.089  -4.483
  259    HA   GLU  34           HA       GLU  34   7.579   2.303  -6.071
  260    HB2  GLU  34           HB2      GLU  34   9.187   4.094  -6.465
  261    HB3  GLU  34           HB3      GLU  34   9.048   3.703  -4.739
  262    HG2  GLU  34           HG2      GLU  34  11.130   2.385  -4.853
  263    HG3  GLU  34           HG3      GLU  34  11.247   2.682  -6.593
  264    H    ALA  35           H        ALA  35   9.343  -0.323  -6.752
  265    HA   ALA  35           HA       ALA  35   9.416   0.334  -9.657
  266    HB1  ALA  35           HB1      ALA  35  11.282  -1.499  -8.100
  267    HB2  ALA  35           HB2      ALA  35  11.315  -1.217  -9.856
  268    HB3  ALA  35           HB3      ALA  35  11.698   0.109  -8.742
  269    H    ILE  36           H        ILE  36   8.003  -1.500  -7.170
  270    HA   ILE  36           HA       ILE  36   7.163  -3.641  -9.069
  271    HB   ILE  36           HB       ILE  36   7.168  -3.495  -6.032
  272   HG12  ILE  36          HG12      ILE  36   8.737  -5.352  -7.854
  273   HG13  ILE  36          HG11      ILE  36   9.375  -3.792  -7.318
  274   HG21  ILE  36          HG21      ILE  36   6.305  -5.739  -7.913
  275   HG22  ILE  36          HG22      ILE  36   6.473  -5.889  -6.142
  276   HG23  ILE  36          HG23      ILE  36   5.247  -4.816  -6.822
  277   HD11  ILE  36          HD11      ILE  36   8.542  -6.084  -5.507
  278   HD12  ILE  36          HD12      ILE  36  10.193  -5.525  -5.832
  279   HD13  ILE  36          HD13      ILE  36   9.073  -4.471  -4.948
  280    H    PHE  37           H        PHE  37   6.049  -0.953  -7.072
  281    HA   PHE  37           HA       PHE  37   3.229  -1.633  -7.712
  282    HB2  PHE  37           HB2      PHE  37   4.510   0.172  -5.640
  283    HB3  PHE  37           HB3      PHE  37   2.790   0.187  -5.987
  284    HD1  PHE  37           HD1      PHE  37   5.567  -2.020  -4.857
  285    HD2  PHE  37           HD2      PHE  37   1.325  -1.401  -5.049
  286    HE1  PHE  37           HE1      PHE  37   5.222  -3.939  -3.313
  287    HE2  PHE  37           HE2      PHE  37   0.968  -3.320  -3.510
  288    HZ   PHE  37           HZ       PHE  37   2.926  -4.575  -2.626
  289    H    SER  38           H        SER  38   5.792   0.210  -8.920
  290    HA   SER  38           HA       SER  38   4.336   2.607  -9.638
  291    HB2  SER  38           HB2      SER  38   6.328   3.025 -11.049
  292    HB3  SER  38           HB3      SER  38   6.763   2.604  -9.376
  293    HG   SER  38           HG       SER  38   7.986   1.459 -10.981
  294    H    LYS  39           H        LYS  39   4.372  -0.603 -10.855
  295    HA   LYS  39           HA       LYS  39   3.775   0.093 -13.619
  296    HB2  LYS  39           HB2      LYS  39   3.605  -2.313 -13.922
  297    HB3  LYS  39           HB3      LYS  39   5.045  -1.910 -12.961
  298    HG2  LYS  39           HG2      LYS  39   3.539  -2.291 -10.887
  299    HG3  LYS  39           HG3      LYS  39   2.415  -3.081 -12.004
  300    HD2  LYS  39           HD2      LYS  39   5.346  -3.801 -11.592
  301    HD3  LYS  39           HD3      LYS  39   3.968  -4.698 -10.919
  302    HE2  LYS  39           HE2      LYS  39   3.145  -5.162 -13.216
  303    HE3  LYS  39           HE3      LYS  39   4.542  -4.300 -13.887
  304    HZ1  LYS  39           HZ1      LYS  39   4.662  -6.718 -12.219
  305    HZ2  LYS  39           HZ2      LYS  39   4.901  -6.657 -13.846
  306    HZ3  LYS  39           HZ3      LYS  39   5.964  -5.919 -12.829
  307    H    TYR  40           H        TYR  40   1.942  -0.008 -10.723
  308    HA   TYR  40           HA       TYR  40  -0.582  -0.422 -12.257
  309    HB2  TYR  40           HB2      TYR  40  -0.115  -0.426  -9.264
  310    HB3  TYR  40           HB3      TYR  40  -1.623  -0.811 -10.094
  311    HD1  TYR  40           HD1      TYR  40  -1.583  -2.813 -11.755
  312    HD2  TYR  40           HD2      TYR  40   1.456  -2.088  -8.804
  313    HE1  TYR  40           HE1      TYR  40  -0.837  -5.183 -11.944
  314    HE2  TYR  40           HE2      TYR  40   2.228  -4.437  -9.015
  315    HH   TYR  40           HH       TYR  40   1.844  -6.484  -9.967
  316    H    GLY  41           H        GLY  41   1.379   1.993 -10.739
  317    HA2  GLY  41           HA2      GLY  41  -0.287   4.060 -11.805
  318    HA3  GLY  41           HA3      GLY  41  -0.515   3.961 -10.052
  319    H    LYS  42           H        LYS  42   0.526   6.233 -11.337
  320    HA   LYS  42           HA       LYS  42   3.407   6.311 -11.138
  321    HB2  LYS  42           HB2      LYS  42   2.277   7.835 -12.617
  322    HB3  LYS  42           HB3      LYS  42   1.194   8.387 -11.330
  323    HG2  LYS  42           HG2      LYS  42   3.057   9.439 -10.145
  324    HG3  LYS  42           HG3      LYS  42   4.204   8.838 -11.367
  325    HD2  LYS  42           HD2      LYS  42   3.205  10.196 -13.086
  326    HD3  LYS  42           HD3      LYS  42   1.822  10.607 -12.044
  327    HE2  LYS  42           HE2      LYS  42   3.280  11.789 -10.500
  328    HE3  LYS  42           HE3      LYS  42   4.712  11.354 -11.452
  329    HZ1  LYS  42           HZ1      LYS  42   3.968  13.565 -11.960
  330    HZ2  LYS  42           HZ2      LYS  42   3.771  12.610 -13.287
  331    HZ3  LYS  42           HZ3      LYS  42   2.472  13.035 -12.380
  332    H    ILE  43           H        ILE  43   4.471   6.132  -9.273
  333    HA   ILE  43           HA       ILE  43   3.095   6.659  -6.751
  334    HB   ILE  43           HB       ILE  43   5.877   5.632  -7.400
  335   HG12  ILE  43          HG12      ILE  43   3.334   4.301  -6.361
  336   HG13  ILE  43          HG11      ILE  43   3.951   4.177  -8.024
  337   HG21  ILE  43          HG21      ILE  43   6.030   5.033  -5.020
  338   HG22  ILE  43          HG22      ILE  43   5.824   6.778  -5.185
  339   HG23  ILE  43          HG23      ILE  43   4.432   5.765  -4.724
  340   HD11  ILE  43          HD11      ILE  43   5.369   3.144  -5.533
  341   HD12  ILE  43          HD12      ILE  43   4.522   2.174  -6.746
  342   HD13  ILE  43          HD13      ILE  43   5.992   3.075  -7.204
  343    H    VAL  44           H        VAL  44   3.234   8.448  -5.561
  344    HA   VAL  44           HA       VAL  44   5.189  10.545  -6.386
  345    HB   VAL  44           HB       VAL  44   3.626  12.153  -5.398
  346   HG11  VAL  44          HG11      VAL  44   2.285  10.272  -7.380
  347   HG12  VAL  44          HG12      VAL  44   1.857  11.975  -7.091
  348   HG13  VAL  44          HG13      VAL  44   3.435  11.573  -7.793
  349   HG21  VAL  44          HG21      VAL  44   2.591  10.666  -3.697
  350   HG22  VAL  44          HG22      VAL  44   1.367  11.459  -4.712
  351   HG23  VAL  44          HG23      VAL  44   1.781   9.758  -4.989
  352    H    GLY  45           H        GLY  45   4.647   8.198  -4.062
  353    HA2  GLY  45           HA2      GLY  45   6.804   9.098  -2.430
  354    HA3  GLY  45           HA3      GLY  45   5.263   9.366  -1.590
  355    H    CYS  46           H        CYS  46   7.492   7.432  -1.024
  356    HA   CYS  46           HA       CYS  46   5.783   5.080  -0.647
  357    HB2  CYS  46           HB2      CYS  46   6.805   4.695  -2.872
  358    HB3  CYS  46           HB3      CYS  46   8.427   4.925  -2.169
  359    HG   CYS  46           HG       CYS  46   6.129   2.750  -1.215
  360    H    SER  47           H        SER  47   6.417   3.839   1.109
  361    HA   SER  47           HA       SER  47   9.019   4.352   2.372
  362    HB2  SER  47           HB2      SER  47   8.040   4.911   4.536
  363    HB3  SER  47           HB3      SER  47   7.495   6.082   3.316
  364    HG   SER  47           HG       SER  47   5.635   5.528   4.181
  365    H    VAL  48           H        VAL  48   9.702   2.662   3.651
  366    HA   VAL  48           HA       VAL  48   7.848   0.340   3.921
  367    HB   VAL  48           HB       VAL  48  10.802   0.313   3.227
  368   HG11  VAL  48          HG11      VAL  48  10.337  -1.521   4.796
  369   HG12  VAL  48          HG12      VAL  48   8.898  -1.988   3.859
  370   HG13  VAL  48          HG13      VAL  48  10.524  -2.170   3.162
  371   HG21  VAL  48          HG21      VAL  48   9.294   0.759   1.332
  372   HG22  VAL  48          HG22      VAL  48   9.965  -0.888   1.209
  373   HG23  VAL  48          HG23      VAL  48   8.300  -0.650   1.776
  374    H    HIS  49           H        HIS  49   8.025  -0.856   5.798
  375    HA   HIS  49           HA       HIS  49   9.610   0.303   8.027
  376    HB2  HIS  49           HB2      HIS  49   6.651  -0.378   8.096
  377    HB3  HIS  49           HB3      HIS  49   7.613   0.328   9.410
  378    HD2  HIS  49           HD2      HIS  49   6.113   1.232   5.937
  379    HE1  HIS  49           HE1      HIS  49   7.060   4.897   7.864
  380    HE2  HIS  49           HE2      HIS  49   5.981   3.836   5.816
  381    H    LYS  50           H        LYS  50   8.642  -1.430  10.033
  382    HA   LYS  50           HA       LYS  50   9.671  -4.004   9.023
  383    HB2  LYS  50           HB2      LYS  50   8.861  -3.107  11.814
  384    HB3  LYS  50           HB3      LYS  50   9.615  -4.657  11.418
  385    HG2  LYS  50           HG2      LYS  50  10.875  -1.918  10.980
  386    HG3  LYS  50           HG3      LYS  50  11.254  -3.040  12.296
  387    HD2  LYS  50           HD2      LYS  50  11.992  -4.734  10.615
  388    HD3  LYS  50           HD3      LYS  50  11.683  -3.554   9.320
  389    HE2  LYS  50           HE2      LYS  50  13.301  -1.995  10.355
  390    HE3  LYS  50           HE3      LYS  50  13.608  -3.161  11.652
  391    HZ1  LYS  50           HZ1      LYS  50  15.271  -3.289   9.925
  392    HZ2  LYS  50           HZ2      LYS  50  14.423  -4.693   9.994
  393    HZ3  LYS  50           HZ3      LYS  50  14.129  -3.613   8.788
  394    H    GLY  51           H        GLY  51   8.391  -5.430   8.160
  395    HA2  GLY  51           HA2      GLY  51   6.684  -6.977   8.047
  396    HA3  GLY  51           HA3      GLY  51   5.926  -6.234   9.467
  397    H    PHE  52           H        PHE  52   6.301  -3.564   7.606
  398    HA   PHE  52           HA       PHE  52   4.146  -4.115   5.687
  399    HB2  PHE  52           HB2      PHE  52   2.706  -2.350   6.495
  400    HB3  PHE  52           HB3      PHE  52   2.901  -3.570   7.736
  401    HD1  PHE  52           HD1      PHE  52   4.331  -3.102   9.748
  402    HD2  PHE  52           HD2      PHE  52   3.436  -0.086   6.813
  403    HE1  PHE  52           HE1      PHE  52   5.013  -1.342  11.349
  404    HE2  PHE  52           HE2      PHE  52   4.127   1.670   8.408
  405    HZ   PHE  52           HZ       PHE  52   4.926   1.041  10.684
  406    H    ALA  53           H        ALA  53   3.632  -2.149   4.377
  407    HA   ALA  53           HA       ALA  53   5.681  -0.035   4.310
  408    HB1  ALA  53           HB1      ALA  53   5.138  -1.913   1.970
  409    HB2  ALA  53           HB2      ALA  53   6.078  -0.411   1.885
  410    HB3  ALA  53           HB3      ALA  53   6.653  -1.760   2.891
  411    H    PHE  54           H        PHE  54   5.065   1.589   2.539
  412    HA   PHE  54           HA       PHE  54   2.153   1.689   2.026
  413    HB2  PHE  54           HB2      PHE  54   3.816   3.650   3.602
  414    HB3  PHE  54           HB3      PHE  54   2.485   4.244   2.616
  415    HD1  PHE  54           HD1      PHE  54   0.175   3.167   2.914
  416    HD2  PHE  54           HD2      PHE  54   3.357   2.843   5.795
  417    HE1  PHE  54           HE1      PHE  54  -1.479   2.645   4.687
  418    HE2  PHE  54           HE2      PHE  54   1.697   2.301   7.558
  419    HZ   PHE  54           HZ       PHE  54  -0.720   2.221   7.000
  420    H    VAL  55           H        VAL  55   1.568   2.783   0.191
  421    HA   VAL  55           HA       VAL  55   3.711   4.018  -1.462
  422    HB   VAL  55           HB       VAL  55   1.658   1.963  -2.392
  423   HG11  VAL  55          HG11      VAL  55   3.678   3.614  -3.965
  424   HG12  VAL  55          HG12      VAL  55   2.718   2.274  -4.623
  425   HG13  VAL  55          HG13      VAL  55   1.903   3.748  -4.067
  426   HG21  VAL  55          HG21      VAL  55   3.670   0.994  -1.321
  427   HG22  VAL  55          HG22      VAL  55   3.675   0.701  -3.074
  428   HG23  VAL  55          HG23      VAL  55   4.704   1.983  -2.378
  429    H    GLN  56           H        GLN  56   3.080   5.846  -2.499
  430    HA   GLN  56           HA       GLN  56   0.262   6.705  -2.052
  431    HB2  GLN  56           HB2      GLN  56   2.085   7.827  -0.701
  432    HB3  GLN  56           HB3      GLN  56   2.805   8.373  -2.222
  433    HG2  GLN  56           HG2      GLN  56   1.525  10.201  -1.390
  434    HG3  GLN  56           HG3      GLN  56   0.603   9.528  -2.743
  435   HE21  GLN  56          HE21      GLN  56  -1.537   9.253  -2.367
  436   HE22  GLN  56          HE22      GLN  56  -2.254   9.026  -0.791
  437    H    TYR  57           H        TYR  57  -0.894   7.180  -3.840
  438    HA   TYR  57           HA       TYR  57   0.553   7.409  -6.437
  439    HB2  TYR  57           HB2      TYR  57  -2.235   6.417  -5.758
  440    HB3  TYR  57           HB3      TYR  57  -1.646   6.710  -7.391
  441    HD1  TYR  57           HD1      TYR  57   0.893   5.618  -7.692
  442    HD2  TYR  57           HD2      TYR  57  -2.315   4.129  -5.237
  443    HE1  TYR  57           HE1      TYR  57   1.835   3.326  -7.845
  444    HE2  TYR  57           HE2      TYR  57  -1.347   1.848  -5.365
  445    HH   TYR  57           HH       TYR  57   1.581   1.146  -7.286
  446    H    VAL  58           H        VAL  58  -0.932   8.575  -8.103
  447    HA   VAL  58           HA       VAL  58  -1.249  11.292  -7.184
  448    HB   VAL  58           HB       VAL  58  -1.854   9.861  -9.806
  449   HG11  VAL  58          HG11      VAL  58  -1.944  12.840  -9.168
  450   HG12  VAL  58          HG12      VAL  58  -1.991  12.138 -10.801
  451   HG13  VAL  58          HG13      VAL  58  -3.318  11.822  -9.666
  452   HG21  VAL  58          HG21      VAL  58   0.522  10.019  -9.194
  453   HG22  VAL  58          HG22      VAL  58   0.154  11.083 -10.573
  454   HG23  VAL  58          HG23      VAL  58   0.356  11.773  -8.950
  455    H    ASN  59           H        ASN  59  -3.458   8.535  -7.695
  456    HA   ASN  59           HA       ASN  59  -5.487  10.032  -6.257
  457    HB2  ASN  59           HB2      ASN  59  -7.097  10.279  -7.857
  458    HB3  ASN  59           HB3      ASN  59  -5.637  10.626  -8.807
  459   HD21  ASN  59          HD21      ASN  59  -4.672   8.322  -9.728
  460   HD22  ASN  59          HD22      ASN  59  -5.897   7.399 -10.557
  461    H    GLU  60           H        GLU  60  -7.557   8.698  -6.019
  462    HA   GLU  60           HA       GLU  60  -6.907   6.252  -4.777
  463    HB2  GLU  60           HB2      GLU  60  -8.829   7.669  -4.209
  464    HB3  GLU  60           HB3      GLU  60  -9.560   7.335  -5.790
  465    HG2  GLU  60           HG2      GLU  60  -9.675   4.919  -5.207
  466    HG3  GLU  60           HG3      GLU  60  -8.966   5.270  -3.627
  467    H    ARG  61           H        ARG  61  -7.928   6.889  -8.158
  468    HA   ARG  61           HA       ARG  61  -8.764   4.242  -8.756
  469    HB2  ARG  61           HB2      ARG  61  -9.235   6.031 -10.285
  470    HB3  ARG  61           HB3      ARG  61  -7.518   6.444 -10.430
  471    HG2  ARG  61           HG2      ARG  61  -8.368   5.245 -12.428
  472    HG3  ARG  61           HG3      ARG  61  -7.022   4.427 -11.633
  473    HD2  ARG  61           HD2      ARG  61  -8.725   2.809 -12.272
  474    HD3  ARG  61           HD3      ARG  61  -8.627   2.903 -10.506
  475    HE   ARG  61           HE       ARG  61 -10.621   4.716 -11.514
  476   HH11  ARG  61          HH11      ARG  61 -10.035   1.291 -10.894
  477   HH12  ARG  61          HH12      ARG  61 -11.728   0.926 -10.637
  478   HH21  ARG  61          HH21      ARG  61 -12.820   4.214 -11.185
  479   HH22  ARG  61          HH22      ARG  61 -13.301   2.573 -10.812
  480    H    ASN  62           H        ASN  62  -5.505   5.733  -8.703
  481    HA   ASN  62           HA       ASN  62  -4.209   3.418  -9.832
  482    HB2  ASN  62           HB2      ASN  62  -3.317   5.854  -8.278
  483    HB3  ASN  62           HB3      ASN  62  -2.172   4.570  -8.768
  484   HD21  ASN  62          HD21      ASN  62  -2.725   3.855 -11.229
  485   HD22  ASN  62          HD22      ASN  62  -2.757   5.204 -12.343
  486    H    ALA  63           H        ALA  63  -5.296   4.292  -6.603
  487    HA   ALA  63           HA       ALA  63  -3.637   2.337  -5.242
  488    HB1  ALA  63           HB1      ALA  63  -6.183   3.766  -4.347
  489    HB2  ALA  63           HB2      ALA  63  -5.071   2.853  -3.311
  490    HB3  ALA  63           HB3      ALA  63  -4.519   4.345  -4.102
  491    H    ARG  64           H        ARG  64  -6.896   2.401  -6.671
  492    HA   ARG  64           HA       ARG  64  -7.704  -0.174  -5.619
  493    HB2  ARG  64           HB2      ARG  64  -8.626   1.312  -8.120
  494    HB3  ARG  64           HB3      ARG  64  -9.450  -0.062  -7.380
  495    HG2  ARG  64           HG2      ARG  64  -9.022   2.649  -6.059
  496    HG3  ARG  64           HG3      ARG  64 -10.520   2.088  -6.820
  497    HD2  ARG  64           HD2      ARG  64 -10.651   0.235  -5.176
  498    HD3  ARG  64           HD3      ARG  64  -9.175   0.843  -4.387
  499    HE   ARG  64           HE       ARG  64 -10.990   2.998  -4.560
  500   HH11  ARG  64          HH11      ARG  64 -10.771  -0.122  -2.886
  501   HH12  ARG  64          HH12      ARG  64 -11.713   0.454  -1.521
  502   HH21  ARG  64          HH21      ARG  64 -12.223   3.655  -2.808
  503   HH22  ARG  64          HH22      ARG  64 -12.525   2.551  -1.473
  504    H    ALA  65           H        ALA  65  -5.723   0.863  -8.357
  505    HA   ALA  65           HA       ALA  65  -5.955  -1.683  -9.746
  506    HB1  ALA  65           HB1      ALA  65  -5.555   0.452 -10.920
  507    HB2  ALA  65           HB2      ALA  65  -4.010   0.641 -10.062
  508    HB3  ALA  65           HB3      ALA  65  -4.227  -0.701 -11.209
  509    H    ALA  66           H        ALA  66  -3.722  -0.225  -7.361
  510    HA   ALA  66           HA       ALA  66  -1.806  -2.415  -7.663
  511    HB1  ALA  66           HB1      ALA  66  -0.601  -1.225  -5.919
  512    HB2  ALA  66           HB2      ALA  66  -1.160  -0.097  -7.184
  513    HB3  ALA  66           HB3      ALA  66  -2.019  -0.185  -5.624
  514    H    VAL  67           H        VAL  67  -4.419  -1.489  -5.395
  515    HA   VAL  67           HA       VAL  67  -3.918  -3.560  -3.473
  516    HB   VAL  67           HB       VAL  67  -6.378  -1.980  -4.287
  517   HG11  VAL  67          HG11      VAL  67  -6.065  -3.935  -1.969
  518   HG12  VAL  67          HG12      VAL  67  -7.401  -2.775  -2.154
  519   HG13  VAL  67          HG13      VAL  67  -7.198  -4.078  -3.337
  520   HG21  VAL  67          HG21      VAL  67  -4.654  -1.916  -1.768
  521   HG22  VAL  67          HG22      VAL  67  -4.461  -0.799  -3.140
  522   HG23  VAL  67          HG23      VAL  67  -5.968  -0.795  -2.199
  523    H    ALA  68           H        ALA  68  -5.610  -3.497  -6.608
  524    HA   ALA  68           HA       ALA  68  -6.465  -6.297  -6.183
  525    HB1  ALA  68           HB1      ALA  68  -7.714  -5.975  -8.271
  526    HB2  ALA  68           HB2      ALA  68  -8.069  -4.670  -7.119
  527    HB3  ALA  68           HB3      ALA  68  -6.970  -4.375  -8.485
  528    H    GLY  69           H        GLY  69  -3.710  -4.678  -7.401
  529    HA2  GLY  69           HA2      GLY  69  -3.161  -6.785  -9.417
  530    HA3  GLY  69           HA3      GLY  69  -2.338  -5.230  -9.250
  531    H    GLU  70           H        GLU  70  -2.341  -6.033  -6.123
  532    HA   GLU  70           HA       GLU  70   0.116  -7.740  -6.326
  533    HB2  GLU  70           HB2      GLU  70  -0.254  -5.073  -4.940
  534    HB3  GLU  70           HB3      GLU  70   1.072  -6.182  -4.568
  535    HG2  GLU  70           HG2      GLU  70   0.521  -5.179  -7.382
  536    HG3  GLU  70           HG3      GLU  70   1.600  -4.342  -6.260
  537    H    ASP  71           H        ASP  71  -2.836  -6.906  -4.551
  538    HA   ASP  71           HA       ASP  71  -2.100  -8.068  -2.061
  539    HB2  ASP  71           HB2      ASP  71  -4.128  -6.731  -2.353
  540    HB3  ASP  71           HB3      ASP  71  -4.796  -7.938  -3.470
  541    H    GLY  72           H        GLY  72  -1.408 -10.102  -1.662
  542    HA2  GLY  72           HA2      GLY  72  -1.646 -12.432  -1.575
  543    HA3  GLY  72           HA3      GLY  72  -2.863 -12.361  -2.863
  544    H    ARG  73           H        ARG  73  -0.165 -10.454  -3.679
  545    HA   ARG  73           HA       ARG  73   0.909 -12.415  -5.547
  546    HB2  ARG  73           HB2      ARG  73   2.275 -10.682  -6.315
  547    HB3  ARG  73           HB3      ARG  73   0.753  -9.897  -5.889
  548    HG2  ARG  73           HG2      ARG  73   2.056  -8.451  -4.700
  549    HG3  ARG  73           HG3      ARG  73   2.169  -9.757  -3.502
  550    HD2  ARG  73           HD2      ARG  73   4.389  -8.973  -4.025
  551    HD3  ARG  73           HD3      ARG  73   4.225 -10.579  -4.765
  552    HE   ARG  73           HE       ARG  73   3.681  -8.109  -6.334
  553   HH11  ARG  73          HH11      ARG  73   5.696 -11.019  -5.915
  554   HH12  ARG  73          HH12      ARG  73   6.412 -10.852  -7.496
  555   HH21  ARG  73          HH21      ARG  73   4.643  -7.950  -8.340
  556   HH22  ARG  73          HH22      ARG  73   5.845  -9.116  -8.857
  557    H    MET  74           H        MET  74   3.438 -12.759  -5.391
  558    HA   MET  74           HA       MET  74   3.994 -13.428  -2.528
  559    HB2  MET  74           HB2      MET  74   3.493 -15.359  -4.000
  560    HB3  MET  74           HB3      MET  74   4.900 -14.948  -5.003
  561    HG2  MET  74           HG2      MET  74   6.419 -15.406  -3.245
  562    HG3  MET  74           HG3      MET  74   5.167 -15.269  -2.007
  563    HE1  MET  74           HE1      MET  74   2.771 -16.946  -2.901
  564    HE2  MET  74           HE2      MET  74   3.168 -18.529  -2.196
  565    HE3  MET  74           HE3      MET  74   3.526 -17.035  -1.298
  566    H    ILE  75           H        ILE  75   5.576 -12.296  -1.672
  567    HA   ILE  75           HA       ILE  75   7.809 -11.457  -3.448
  568    HB   ILE  75           HB       ILE  75   5.903  -9.811  -2.019
  569   HG12  ILE  75          HG12      ILE  75   8.294  -9.230  -3.813
  570   HG13  ILE  75          HG11      ILE  75   6.653  -9.626  -4.361
  571   HG21  ILE  75          HG21      ILE  75   8.827  -9.369  -1.299
  572   HG22  ILE  75          HG22      ILE  75   7.478  -8.249  -0.943
  573   HG23  ILE  75          HG23      ILE  75   7.532  -9.833  -0.173
  574   HD11  ILE  75          HD11      ILE  75   5.793  -7.563  -3.289
  575   HD12  ILE  75          HD12      ILE  75   7.442  -7.160  -2.744
  576   HD13  ILE  75          HD13      ILE  75   7.054  -7.210  -4.477
  577    H    ALA  76           H        ALA  76   9.833 -11.705  -2.678
  578    HA   ALA  76           HA       ALA  76  11.441 -12.797  -1.546
  579    HB1  ALA  76           HB1      ALA  76   9.951 -11.861   0.923
  580    HB2  ALA  76           HB2      ALA  76  11.670 -12.289   0.804
  581    HB3  ALA  76           HB3      ALA  76  11.050 -10.846  -0.048
  582    H    GLY  77           H        GLY  77   8.757 -14.221  -2.094
  583    HA2  GLY  77           HA2      GLY  77   8.330 -16.509  -2.004
  584    HA3  GLY  77           HA3      GLY  77   9.472 -16.674  -0.652
  585    H    GLN  78           H        GLN  78   7.425 -14.024  -0.010
  586    HA   GLN  78           HA       GLN  78   5.491 -15.745   1.452
  587    HB2  GLN  78           HB2      GLN  78   7.145 -14.976   2.999
  588    HB3  GLN  78           HB3      GLN  78   7.085 -13.333   2.353
  589    HG2  GLN  78           HG2      GLN  78   4.423 -14.080   3.209
  590    HG3  GLN  78           HG3      GLN  78   5.577 -14.435   4.506
  591   HE21  GLN  78          HE21      GLN  78   5.276 -11.858   1.970
  592   HE22  GLN  78          HE22      GLN  78   5.413 -10.529   3.102
  593    H    VAL  79           H        VAL  79   3.407 -15.205   1.271
  594    HA   VAL  79           HA       VAL  79   2.472 -13.477  -0.797
  595    HB   VAL  79           HB       VAL  79   1.051 -14.707   1.607
  596   HG11  VAL  79          HG11      VAL  79  -0.018 -13.630  -1.026
  597   HG12  VAL  79          HG12      VAL  79  -0.971 -14.534   0.179
  598   HG13  VAL  79          HG13      VAL  79  -0.306 -12.951   0.607
  599   HG21  VAL  79          HG21      VAL  79   2.153 -16.409   0.241
  600   HG22  VAL  79          HG22      VAL  79   0.398 -16.474  -0.009
  601   HG23  VAL  79          HG23      VAL  79   1.441 -15.711  -1.239
  602    H    LEU  80           H        LEU  80   1.632 -11.434  -0.800
  603    HA   LEU  80           HA       LEU  80   1.981  -9.858   1.698
  604    HB2  LEU  80           HB2      LEU  80   1.358  -8.876  -1.106
  605    HB3  LEU  80           HB3      LEU  80   1.785  -7.901   0.304
  606    HG   LEU  80           HG       LEU  80   3.566  -9.864  -1.190
  607   HD11  LEU  80          HD11      LEU  80   3.609  -6.853  -0.685
  608   HD12  LEU  80          HD12      LEU  80   4.913  -7.760  -1.472
  609   HD13  LEU  80          HD13      LEU  80   3.306  -7.670  -2.236
  610   HD21  LEU  80          HD21      LEU  80   4.027 -10.061   1.229
  611   HD22  LEU  80          HD22      LEU  80   5.331  -9.183   0.420
  612   HD23  LEU  80          HD23      LEU  80   4.106  -8.284   1.360
  613    H    ASP  81           H        ASP  81   0.360  -8.456   2.473
  614    HA   ASP  81           HA       ASP  81  -2.407  -9.061   1.541
  615    HB2  ASP  81           HB2      ASP  81  -1.978 -10.082   3.752
  616    HB3  ASP  81           HB3      ASP  81  -1.496  -8.499   4.387
  617    H    ILE  82           H        ILE  82  -2.905  -7.338   0.331
  618    HA   ILE  82           HA       ILE  82  -1.919  -4.657   1.207
  619    HB   ILE  82           HB       ILE  82  -2.224  -5.886  -1.526
  620   HG12  ILE  82          HG12      ILE  82   0.197  -4.628  -0.202
  621   HG13  ILE  82          HG11      ILE  82  -0.207  -6.325   0.090
  622   HG21  ILE  82          HG21      ILE  82  -1.454  -3.027  -0.771
  623   HG22  ILE  82          HG22      ILE  82  -1.415  -3.713  -2.410
  624   HG23  ILE  82          HG23      ILE  82  -2.962  -3.493  -1.582
  625   HD11  ILE  82          HD11      ILE  82   0.240  -5.152  -2.664
  626   HD12  ILE  82          HD12      ILE  82   1.428  -6.089  -1.718
  627   HD13  ILE  82          HD13      ILE  82  -0.088  -6.858  -2.238
  628    H    ASN  83           H        ASN  83  -3.347  -2.953   1.211
  629    HA   ASN  83           HA       ASN  83  -6.092  -3.287   0.233
  630    HB2  ASN  83           HB2      ASN  83  -5.896  -4.475   2.486
  631    HB3  ASN  83           HB3      ASN  83  -5.539  -2.894   3.198
  632   HD21  ASN  83          HD21      ASN  83  -7.226  -1.218   3.092
  633   HD22  ASN  83          HD22      ASN  83  -8.901  -1.707   2.947
  634    H    LEU  84           H        LEU  84  -7.323  -1.207   0.455
  635    HA   LEU  84           HA       LEU  84  -5.789   1.124   0.054
  636    HB2  LEU  84           HB2      LEU  84  -8.356   0.481  -0.356
  637    HB3  LEU  84           HB3      LEU  84  -8.558   1.191   1.257
  638    HG   LEU  84           HG       LEU  84  -7.215   3.206   0.316
  639   HD11  LEU  84          HD11      LEU  84  -6.409   2.052  -1.724
  640   HD12  LEU  84          HD12      LEU  84  -8.091   1.803  -2.253
  641   HD13  LEU  84          HD13      LEU  84  -7.416   3.448  -2.165
  642   HD21  LEU  84          HD21      LEU  84  -9.623   3.295   0.797
  643   HD22  LEU  84          HD22      LEU  84  -9.268   4.170  -0.708
  644   HD23  LEU  84          HD23      LEU  84  -9.985   2.539  -0.768
  645    H    ALA  85           H        ALA  85  -5.284   2.885   1.481
  646    HA   ALA  85           HA       ALA  85  -4.709   2.027   4.178
  647    HB1  ALA  85           HB1      ALA  85  -3.155   3.396   2.859
  648    HB2  ALA  85           HB2      ALA  85  -4.355   4.716   2.816
  649    HB3  ALA  85           HB3      ALA  85  -3.623   4.230   4.358
  650    H    ALA  86           H        ALA  86  -7.648   3.006   2.998
  651    HA   ALA  86           HA       ALA  86  -8.341   4.301   5.588
  652    HB1  ALA  86           HB1      ALA  86  -8.008   6.034   3.846
  653    HB2  ALA  86           HB2      ALA  86  -9.229   5.234   2.830
  654    HB3  ALA  86           HB3      ALA  86  -9.697   5.953   4.392
  655    H    GLU  87           H        GLU  87  -8.892   1.677   3.674
  656    HA   GLU  87           HA       GLU  87 -11.620   1.341   4.785
  657    HB2  GLU  87           HB2      GLU  87 -10.861   0.883   1.872
  658    HB3  GLU  87           HB3      GLU  87 -12.375   0.363   2.637
  659    HG2  GLU  87           HG2      GLU  87 -12.853   2.746   3.223
  660    HG3  GLU  87           HG3      GLU  87 -11.416   3.230   2.306
  661    HA   PRO  88           HA       PRO  88  -8.516  -2.167   5.263
  662    HB2  PRO  88           HB2      PRO  88  -8.879  -2.555   7.981
  663    HB3  PRO  88           HB3      PRO  88  -7.698  -1.429   7.267
  664    HG2  PRO  88           HG2      PRO  88 -10.482  -0.785   8.265
  665    HG3  PRO  88           HG3      PRO  88  -8.948   0.080   8.625
  666    HD2  PRO  88           HD2      PRO  88 -10.633   0.980   6.712
  667    HD3  PRO  88           HD3      PRO  88  -8.859   1.003   6.442
  668    H    LYS  89           H        LYS  89  -9.059  -4.306   5.272
  669    HA   LYS  89           HA       LYS  89 -11.669  -4.871   4.364
  670    HB2  LYS  89           HB2      LYS  89 -10.774  -7.321   4.654
  671    HB3  LYS  89           HB3      LYS  89 -10.108  -6.236   3.421
  672    HG2  LYS  89           HG2      LYS  89  -8.172  -5.730   4.797
  673    HG3  LYS  89           HG3      LYS  89  -8.852  -6.629   6.170
  674    HD2  LYS  89           HD2      LYS  89  -7.147  -7.958   5.078
  675    HD3  LYS  89           HD3      LYS  89  -8.732  -8.714   4.807
  676    HE2  LYS  89           HE2      LYS  89  -8.840  -7.746   2.556
  677    HE3  LYS  89           HE3      LYS  89  -7.319  -6.879   2.826
  678    HZ1  LYS  89           HZ1      LYS  89  -6.204  -8.969   3.020
  679    HZ2  LYS  89           HZ2      LYS  89  -7.601  -9.806   2.854
  680    HZ3  LYS  89           HZ3      LYS  89  -7.012  -8.924   1.593
  681    H    VAL  90           H        VAL  90 -10.282  -6.733   7.093
  682    HA   VAL  90           HA       VAL  90 -12.674  -6.152   8.735
  683    HB   VAL  90           HB       VAL  90 -11.848  -8.947   7.864
  684   HG11  VAL  90          HG11      VAL  90 -13.951  -8.035   9.872
  685   HG12  VAL  90          HG12      VAL  90 -13.692  -9.708   9.332
  686   HG13  VAL  90          HG13      VAL  90 -12.430  -8.870  10.260
  687   HG21  VAL  90          HG21      VAL  90 -13.285  -7.860   6.184
  688   HG22  VAL  90          HG22      VAL  90 -14.207  -9.098   7.054
  689   HG23  VAL  90          HG23      VAL  90 -14.431  -7.382   7.455
  690    H    ASN  91           H        ASN  91  -9.581  -7.872   8.283
  691    HA   ASN  91           HA       ASN  91  -8.934  -7.326  11.132
  692    HB2  ASN  91           HB2      ASN  91  -8.176  -9.739   9.449
  693    HB3  ASN  91           HB3      ASN  91  -7.558  -9.406  11.074
  694   HD21  ASN  91          HD21      ASN  91 -10.228 -10.647   9.209
  695   HD22  ASN  91          HD22      ASN  91 -11.242 -11.080  10.571
  696    H    ARG  92           H        ARG  92  -6.493  -7.230  11.449
  697    HA   ARG  92           HA       ARG  92  -5.025  -6.333   9.015
  698    HB2  ARG  92           HB2      ARG  92  -6.101  -4.362  10.226
  699    HB3  ARG  92           HB3      ARG  92  -5.059  -4.754  11.602
  700    HG2  ARG  92           HG2      ARG  92  -3.254  -4.757   9.504
  701    HG3  ARG  92           HG3      ARG  92  -4.399  -3.511   8.987
  702    HD2  ARG  92           HD2      ARG  92  -2.989  -3.647  11.684
  703    HD3  ARG  92           HD3      ARG  92  -2.526  -2.582  10.349
  704    HE   ARG  92           HE       ARG  92  -5.188  -1.964  10.824
  705   HH11  ARG  92          HH11      ARG  92  -2.236  -2.078  12.754
  706   HH12  ARG  92          HH12      ARG  92  -2.760  -0.823  13.856
  707   HH21  ARG  92          HH21      ARG  92  -5.851  -0.317  12.274
  708   HH22  ARG  92          HH22      ARG  92  -4.796   0.181  13.572
  709    H    GLY  93           H        GLY  93  -4.804  -6.882  12.578
  710    HA2  GLY  93           HA2      GLY  93  -1.951  -7.151  12.510
  711    HA3  GLY  93           HA3      GLY  93  -3.001  -7.544  13.875
  712    H    LYS  94           H        LYS  94  -0.747  -8.714  11.963
  713    HA   LYS  94           HA       LYS  94   0.116 -10.686  11.382
  714    HB2  LYS  94           HB2      LYS  94  -0.309 -10.881  13.878
  715    HB3  LYS  94           HB3      LYS  94  -1.663 -11.958  13.457
  716    HG2  LYS  94           HG2      LYS  94  -0.164 -13.532  12.399
  717    HG3  LYS  94           HG3      LYS  94   1.168 -12.352  12.403
  718    HD2  LYS  94           HD2      LYS  94   1.503 -14.017  14.156
  719    HD3  LYS  94           HD3      LYS  94   1.232 -12.407  14.854
  720    HE2  LYS  94           HE2      LYS  94  -1.140 -12.992  15.276
  721    HE3  LYS  94           HE3      LYS  94  -0.876 -14.592  14.569
  722    HZ1  LYS  94           HZ1      LYS  94   0.744 -15.015  16.301
  723    HZ2  LYS  94           HZ2      LYS  94   0.472 -13.543  16.971
  724    HZ3  LYS  94           HZ3      LYS  94  -0.722 -14.671  16.954
  725    H    ALA  95           H        ALA  95  -3.223 -10.283  10.771
  726    HA   ALA  95           HA       ALA  95  -3.084 -12.349   8.728
  727    HB1  ALA  95           HB1      ALA  95  -3.737 -13.627  10.765
  728    HB2  ALA  95           HB2      ALA  95  -5.112 -12.531  11.006
  729    HB3  ALA  95           HB3      ALA  95  -5.059 -13.591   9.575
  730    H    GLY  96           H        GLY  96  -4.947 -12.335   7.306
  731    HA2  GLY  96           HA2      GLY  96  -7.052 -10.412   7.498
  732    HA3  GLY  96           HA3      GLY  96  -5.739  -9.762   6.489
  733    H    VAL  97           H        VAL  97  -5.960 -13.217   6.310
  734    HA   VAL  97           HA       VAL  97  -7.764 -13.036   3.964
  735    HB   VAL  97           HB       VAL  97  -5.424 -12.910   3.226
  736   HG11  VAL  97          HG11      VAL  97  -3.918 -14.819   3.450
  737   HG12  VAL  97          HG12      VAL  97  -4.357 -14.197   5.049
  738   HG13  VAL  97          HG13      VAL  97  -5.113 -15.690   4.436
  739   HG21  VAL  97          HG21      VAL  97  -7.149 -14.010   1.811
  740   HG22  VAL  97          HG22      VAL  97  -5.532 -14.700   1.563
  741   HG23  VAL  97          HG23      VAL  97  -6.723 -15.580   2.538
  742    H    LYS  98           H        LYS  98  -9.148 -14.674   3.725
  743    HA   LYS  98           HA       LYS  98  -8.940 -16.992   5.595
  744    HB2  LYS  98           HB2      LYS  98 -11.453 -15.515   4.717
  745    HB3  LYS  98           HB3      LYS  98 -11.412 -16.943   5.757
  746    HG2  LYS  98           HG2      LYS  98 -10.201 -14.229   6.432
  747    HG3  LYS  98           HG3      LYS  98 -11.728 -14.877   7.047
  748    HD2  LYS  98           HD2      LYS  98 -10.479 -16.795   8.069
  749    HD3  LYS  98           HD3      LYS  98  -8.957 -16.071   7.500
  750    HE2  LYS  98           HE2      LYS  98  -9.273 -15.472   9.820
  751    HE3  LYS  98           HE3      LYS  98  -9.459 -14.025   8.824
  752    HZ1  LYS  98           HZ1      LYS  98 -11.171 -14.198  10.494
  753    HZ2  LYS  98           HZ2      LYS  98 -11.846 -14.310   9.001
  754    HZ3  LYS  98           HZ3      LYS  98 -11.656 -15.658   9.924
  755    H    ARG  99           H        ARG  99  -8.305 -16.370   2.623
  756    HA   ARG  99           HA       ARG  99  -9.940 -18.490   1.351
  757    HB2  ARG  99           HB2      ARG  99  -9.645 -16.109   0.403
  758    HB3  ARG  99           HB3      ARG  99  -7.984 -16.580   0.022
  759    HG2  ARG  99           HG2      ARG  99  -9.438 -16.795  -1.925
  760    HG3  ARG  99           HG3      ARG  99  -8.852 -18.390  -1.449
  761    HD2  ARG  99           HD2      ARG  99 -11.005 -18.845  -0.301
  762    HD3  ARG  99           HD3      ARG  99 -11.568 -17.212  -0.724
  763    HE   ARG  99           HE       ARG  99 -10.734 -18.612  -3.079
  764   HH11  ARG  99          HH11      ARG  99 -13.369 -18.530  -0.716
  765   HH12  ARG  99          HH12      ARG  99 -14.551 -19.151  -1.842
  766   HH21  ARG  99          HH21      ARG  99 -12.288 -19.420  -4.518
  767   HH22  ARG  99          HH22      ARG  99 -13.946 -19.646  -3.993
  768    H    SER 100           H        SER 100  -8.464 -19.724  -0.414
  769    HA   SER 100           HA       SER 100  -6.642 -21.369   0.980
  770    HB2  SER 100           HB2      SER 100  -7.007 -20.769  -1.980
  771    HB3  SER 100           HB3      SER 100  -6.049 -22.124  -1.354
  772    HG   SER 100           HG       SER 100  -7.944 -22.907  -0.361
  773    H    ALA 101           H        ALA 101  -6.175 -18.200  -0.357
  774    HA   ALA 101           HA       ALA 101  -4.383 -16.924  -0.830
  775    HB1  ALA 101           HB1      ALA 101  -3.102 -18.539   1.401
  776    HB2  ALA 101           HB2      ALA 101  -2.585 -16.939   0.824
  777    HB3  ALA 101           HB3      ALA 101  -4.170 -17.134   1.608
  778    H    ALA 102           H        ALA 102  -4.592 -19.669  -2.182
  779    HA   ALA 102           HA       ALA 102  -1.979 -19.527  -3.516
  780    HB1  ALA 102           HB1      ALA 102  -3.056 -22.085  -2.257
  781    HB2  ALA 102           HB2      ALA 102  -1.592 -21.945  -3.263
  782    HB3  ALA 102           HB3      ALA 102  -1.664 -21.149  -1.676
  783    H    GLU 103           H        GLU 103  -5.194 -19.372  -3.854
  784    HA   GLU 103           HA       GLU 103  -5.728 -21.388  -5.828
  785    HB2  GLU 103           HB2      GLU 103  -7.817 -20.135  -6.180
  786    HB3  GLU 103           HB3      GLU 103  -7.499 -20.455  -4.466
  787    HG2  GLU 103           HG2      GLU 103  -6.731 -18.158  -4.132
  788    HG3  GLU 103           HG3      GLU 103  -6.825 -17.830  -5.867
  789    H    MET 104           H        MET 104  -3.832 -18.634  -5.989
  790    HA   MET 104           HA       MET 104  -4.332 -18.203  -8.893
  791    HB2  MET 104           HB2      MET 104  -2.815 -16.556  -6.840
  792    HB3  MET 104           HB3      MET 104  -2.972 -16.149  -8.557
  793    HG2  MET 104           HG2      MET 104  -5.406 -16.058  -8.352
  794    HG3  MET 104           HG3      MET 104  -5.307 -16.515  -6.645
  795    HE1  MET 104           HE1      MET 104  -2.925 -14.876  -5.461
  796    HE2  MET 104           HE2      MET 104  -3.808 -13.441  -4.884
  797    HE3  MET 104           HE3      MET 104  -4.538 -15.054  -4.726
  798    H    TYR 105           H        TYR 105  -2.602 -20.307  -7.147
  799    HA   TYR 105           HA       TYR 105  -0.255 -20.174  -8.972
  800    HB2  TYR 105           HB2      TYR 105  -0.221 -20.941  -6.039
  801    HB3  TYR 105           HB3      TYR 105   1.163 -20.918  -7.127
  802    HD1  TYR 105           HD1      TYR 105  -1.294 -18.826  -5.309
  803    HD2  TYR 105           HD2      TYR 105   2.296 -18.853  -7.674
  804    HE1  TYR 105           HE1      TYR 105  -0.870 -16.468  -4.671
  805    HE2  TYR 105           HE2      TYR 105   2.720 -16.480  -7.059
  806    HH   TYR 105           HH       TYR 105   0.512 -14.663  -4.906
  807    H    GLY 106           H        GLY 106  -2.989 -21.837  -8.345
  808    HA2  GLY 106           HA2      GLY 106  -2.096 -24.246  -9.624
  809    HA3  GLY 106           HA3      GLY 106  -2.341 -24.510  -7.887
  810    H5'    U   1           H5'        U   1   3.660  -6.983   9.514
  811   H5''    U   1          H5''        U   1   3.802  -6.097  11.047
  812    H4'    U   1           H4'        U   1   2.827  -4.606   9.467
  813    H3'    U   1           H3'        U   1   1.559  -5.102  11.839
  814    H2'    U   1           H2'        U   1   0.105  -6.795  10.946
  815   HO2'    U   1          HO2'        U   1  -1.039  -4.640  11.669
  816    H1'    U   1           H1'        U   1  -0.336  -4.990   8.555
  817    H3     U   1           H3         U   1  -2.957  -7.907   6.346
  818    H5     U   1           H5         U   1  -0.623 -10.415   8.782
  819    H6     U   1           H6         U   1   0.494  -8.456   9.637
  820    H5'    U   2           H5'        U   2   1.282  -0.837   9.540
  821   H5''    U   2          H5''        U   2   1.688  -0.176  11.136
  822    H4'    U   2           H4'        U   2   0.978   1.664   9.814
  823    H3'    U   2           H3'        U   2  -0.462   0.911  12.177
  824    H2'    U   2           H2'        U   2  -2.421   0.392  10.973
  825   HO2'    U   2          HO2'        U   2  -2.914   2.249  12.300
  826    H1'    U   2           H1'        U   2  -1.608   2.647   9.115
  827    H3     U   2           H3         U   2  -5.106   2.508   6.341
  828    H5     U   2           H5         U   2  -5.100  -1.369   7.952
  829    H6     U   2           H6         U   2  -3.154  -0.769   9.258
  830    H5'    U   3           H5'        U   3   2.776   2.221  10.475
  831   H5''    U   3          H5''        U   3   3.725   2.819  11.845
  832    H4'    U   3           H4'        U   3   4.988   3.373   9.934
  833    H3'    U   3           H3'        U   3   4.164   5.379  11.618
  834    H2'    U   3           H2'        U   3   2.301   6.088  10.355
  835   HO2'    U   3          HO2'        U   3   4.219   7.733  10.279
  836    H1'    U   3           H1'        U   3   3.819   5.770   7.775
  837    H3     U   3           H3         U   3   0.185   6.539   5.288
  838    H5     U   3           H5         U   3  -1.434   4.757   8.743
  839    H6     U   3           H6         U   3   0.815   4.561   9.615
  840    H5'    U   4           H5'        U   4   8.160   4.985   9.729
  841   H5''    U   4          H5''        U   4   9.155   5.658  11.026
  842    H4'    U   4           H4'        U   4  10.431   5.301   8.933
  843    H3'    U   4           H3'        U   4  10.684   7.474  10.572
  844    H2'    U   4           H2'        U   4   9.094   8.842   9.450
  845   HO2'    U   4          HO2'        U   4  10.351  10.299   8.112
  846    H1'    U   4           H1'        U   4  10.177   8.026   6.759
  847    H3     U   4           H3         U   4   7.190  11.348   5.695
  848    H5     U   4           H5         U   4   4.866   8.124   7.056
  849    H6     U   4           H6         U   4   6.888   7.056   7.815
  850    H5'    C   5           H5'        C   5  13.537   9.167  10.100
  851   H5''    C   5          H5''        C   5  15.107   8.366  10.307
  852    H4'    C   5           H4'        C   5  13.372   9.305  12.630
  853    H3'    C   5           H3'        C   5  15.644  10.703  11.178
  854    H2'    C   5           H2'        C   5  16.183  11.718  13.264
  855   HO2'    C   5          HO2'        C   5  13.946  12.204  13.790
  856    H1'    C   5           H1'        C   5  15.495   9.445  14.782
  857    H41    C   5           H41        C   5  21.879   9.249  12.964
  858    H42    C   5           H42        C   5  21.900   9.568  14.690
  859    H5     C   5           H5         C   5  19.855   9.911  15.986
  860    H6     C   5           H6         C   5  17.433   9.982  15.868
  Start of MODEL    2
    1    H1   ALA   2           H1       ALA   2  11.177   9.016  -6.149
    2    H2   ALA   2           H2       ALA   2  11.092   7.549  -5.388
    3    H3   ALA   2           H3       ALA   2  10.280   7.793  -6.810
    4    HA   ALA   2           HA       ALA   2   8.854   9.406  -5.793
    5    HB1  ALA   2           HB1      ALA   2   8.959   6.753  -4.326
    6    HB2  ALA   2           HB2      ALA   2   7.575   7.872  -4.370
    7    HB3  ALA   2           HB3      ALA   2   8.122   7.079  -5.864
    8    H    SER   3           H        SER   3   8.022  10.325  -3.761
    9    HA   SER   3           HA       SER   3  10.134  11.310  -2.067
   10    HB2  SER   3           HB2      SER   3   8.118  12.615  -2.649
   11    HB3  SER   3           HB3      SER   3   7.109  11.444  -1.772
   12    HG   SER   3           HG       SER   3   7.692  13.296  -0.522
   13    H    ASN   4           H        ASN   4  10.114  11.126   0.321
   14    HA   ASN   4           HA       ASN   4   9.735   8.314   1.116
   15    HB2  ASN   4           HB2      ASN   4  11.055   8.982   3.091
   16    HB3  ASN   4           HB3      ASN   4  11.878   9.375   1.573
   17   HD21  ASN   4          HD21      ASN   4  10.185  10.707   4.395
   18   HD22  ASN   4          HD22      ASN   4  10.682  12.365   4.138
   19    H    VAL   5           H        VAL   5   7.689  10.854   0.959
   20    HA   VAL   5           HA       VAL   5   6.562  10.523   3.682
   21    HB   VAL   5           HB       VAL   5   6.067  12.599   1.521
   22   HG11  VAL   5          HG11      VAL   5   4.987  12.425   4.370
   23   HG12  VAL   5          HG12      VAL   5   4.773  13.791   3.252
   24   HG13  VAL   5          HG13      VAL   5   4.025  12.229   2.887
   25   HG21  VAL   5          HG21      VAL   5   7.181  14.098   3.171
   26   HG22  VAL   5          HG22      VAL   5   7.473  12.704   4.231
   27   HG23  VAL   5          HG23      VAL   5   8.260  12.800   2.637
   28    H    THR   6           H        THR   6   4.623   9.668   4.099
   29    HA   THR   6           HA       THR   6   2.771   8.996   1.915
   30    HB   THR   6           HB       THR   6   2.661   6.614   2.656
   31    HG1  THR   6           HG1      THR   6   3.531   6.804   4.704
   32   HG21  THR   6          HG21      THR   6   4.084   7.221   0.711
   33   HG22  THR   6          HG22      THR   6   5.477   7.388   1.821
   34   HG23  THR   6          HG23      THR   6   4.679   5.813   1.605
   35    H    ASN   7           H        ASN   7   3.089  10.442   4.830
   36    HA   ASN   7           HA       ASN   7   0.735   9.090   6.010
   37    HB2  ASN   7           HB2      ASN   7   2.889   9.108   7.272
   38    HB3  ASN   7           HB3      ASN   7   2.738  10.862   7.431
   39   HD21  ASN   7          HD21      ASN   7   2.814  10.237   9.776
   40   HD22  ASN   7          HD22      ASN   7   1.303   9.827  10.564
   41    H    LYS   8           H        LYS   8   0.411  11.022   3.853
   42    HA   LYS   8           HA       LYS   8  -0.598  13.461   5.079
   43    HB2  LYS   8           HB2      LYS   8  -0.978  12.269   2.307
   44    HB3  LYS   8           HB3      LYS   8  -1.543  13.872   2.820
   45    HG2  LYS   8           HG2      LYS   8   0.824  14.447   3.463
   46    HG3  LYS   8           HG3      LYS   8   1.349  12.909   2.748
   47    HD2  LYS   8           HD2      LYS   8  -0.132  15.128   1.284
   48    HD3  LYS   8           HD3      LYS   8   1.614  14.833   1.197
   49    HE2  LYS   8           HE2      LYS   8   1.192  12.580   0.263
   50    HE3  LYS   8           HE3      LYS   8  -0.553  12.867   0.343
   51    HZ1  LYS   8           HZ1      LYS   8   1.355  14.439  -1.259
   52    HZ2  LYS   8           HZ2      LYS   8   0.305  13.321  -1.846
   53    HZ3  LYS   8           HZ3      LYS   8  -0.262  14.708  -1.172
   54    H    THR   9           H        THR   9  -2.646  13.906   5.742
   55    HA   THR   9           HA       THR   9  -4.479  11.559   5.863
   56    HB   THR   9           HB       THR   9  -5.342  12.540   7.952
   57    HG1  THR   9           HG1      THR   9  -4.810  14.696   7.594
   58   HG21  THR   9          HG21      THR   9  -3.383  12.037   9.333
   59   HG22  THR   9          HG22      THR   9  -3.496  10.880   7.992
   60   HG23  THR   9          HG23      THR   9  -2.308  12.204   7.927
   61    H    ASP  10           H        ASP  10  -4.264  13.953   3.847
   62    HA   ASP  10           HA       ASP  10  -6.699  15.421   4.127
   63    HB2  ASP  10           HB2      ASP  10  -5.066  14.709   1.662
   64    HB3  ASP  10           HB3      ASP  10  -6.360  15.906   1.700
   65    HA   PRO  11           HA       PRO  11  -9.775  12.527   3.197
   66    HB2  PRO  11           HB2      PRO  11 -11.691  13.978   1.878
   67    HB3  PRO  11           HB3      PRO  11 -11.268  14.241   3.600
   68    HG2  PRO  11           HG2      PRO  11 -10.215  15.737   1.183
   69    HG3  PRO  11           HG3      PRO  11 -10.925  16.431   2.681
   70    HD2  PRO  11           HD2      PRO  11  -8.248  16.225   2.400
   71    HD3  PRO  11           HD3      PRO  11  -9.022  15.823   3.965
   72    H    ARG  12           H        ARG  12  -7.783  13.597   0.733
   73    HA   ARG  12           HA       ARG  12  -8.978  11.598  -1.139
   74    HB2  ARG  12           HB2      ARG  12  -8.956  14.279  -1.623
   75    HB3  ARG  12           HB3      ARG  12  -7.389  13.824  -2.313
   76    HG2  ARG  12           HG2      ARG  12 -10.088  12.561  -2.961
   77    HG3  ARG  12           HG3      ARG  12  -9.252  13.763  -3.952
   78    HD2  ARG  12           HD2      ARG  12  -7.362  12.156  -4.262
   79    HD3  ARG  12           HD3      ARG  12  -8.271  10.953  -3.328
   80    HE   ARG  12           HE       ARG  12  -9.733  10.622  -5.098
   81   HH11  ARG  12          HH11      ARG  12  -7.588  13.354  -5.814
   82   HH12  ARG  12          HH12      ARG  12  -8.066  13.430  -7.492
   83   HH21  ARG  12          HH21      ARG  12 -10.330  10.760  -7.293
   84   HH22  ARG  12          HH22      ARG  12  -9.602  11.966  -8.324
   85    H    SER  13           H        SER  13  -6.116  13.060   0.354
   86    HA   SER  13           HA       SER  13  -4.251  11.508  -1.229
   87    HB2  SER  13           HB2      SER  13  -3.844  13.000   1.392
   88    HB3  SER  13           HB3      SER  13  -2.566  12.400   0.308
   89    HG   SER  13           HG       SER  13  -3.419  13.775  -1.312
   90    H    MET  14           H        MET  14  -6.091  10.899   1.760
   91    HA   MET  14           HA       MET  14  -4.335   8.609   2.301
   92    HB2  MET  14           HB2      MET  14  -5.352   8.342   4.314
   93    HB3  MET  14           HB3      MET  14  -5.376  10.096   4.100
   94    HG2  MET  14           HG2      MET  14  -7.731  10.024   3.467
   95    HG3  MET  14           HG3      MET  14  -7.724   8.254   3.481
   96    HE1  MET  14           HE1      MET  14  -5.856   7.779   6.246
   97    HE2  MET  14           HE2      MET  14  -7.236   7.405   7.289
   98    HE3  MET  14           HE3      MET  14  -7.192   6.792   5.619
   99    H    ASN  15           H        ASN  15  -6.751   9.198   0.119
  100    HA   ASN  15           HA       ASN  15  -7.666   6.369   0.149
  101    HB2  ASN  15           HB2      ASN  15  -8.770   8.861  -1.196
  102    HB3  ASN  15           HB3      ASN  15  -9.343   7.218  -1.534
  103   HD21  ASN  15          HD21      ASN  15  -9.656   9.934   0.558
  104   HD22  ASN  15          HD22      ASN  15 -10.645   9.164   1.782
  105    H    SER  16           H        SER  16  -5.671   8.693  -1.592
  106    HA   SER  16           HA       SER  16  -5.248   6.823  -3.804
  107    HB2  SER  16           HB2      SER  16  -3.657   8.533  -4.595
  108    HB3  SER  16           HB3      SER  16  -5.269   9.211  -4.265
  109    HG   SER  16           HG       SER  16  -3.609  10.496  -3.397
  110    H    ARG  17           H        ARG  17  -4.430   6.628  -0.685
  111    HA   ARG  17           HA       ARG  17  -1.626   5.731  -1.131
  112    HB2  ARG  17           HB2      ARG  17  -2.033   7.282   0.709
  113    HB3  ARG  17           HB3      ARG  17  -3.201   6.140   1.432
  114    HG2  ARG  17           HG2      ARG  17  -1.530   4.557   1.936
  115    HG3  ARG  17           HG3      ARG  17  -0.375   5.267   0.785
  116    HD2  ARG  17           HD2      ARG  17   0.266   5.764   3.093
  117    HD3  ARG  17           HD3      ARG  17  -0.080   7.219   2.153
  118    HE   ARG  17           HE       ARG  17  -1.822   6.033   4.279
  119   HH11  ARG  17          HH11      ARG  17  -1.039   8.754   2.140
  120   HH12  ARG  17          HH12      ARG  17  -2.013   9.879   3.066
  121   HH21  ARG  17          HH21      ARG  17  -3.015   7.544   5.453
  122   HH22  ARG  17          HH22      ARG  17  -3.120   9.211   4.903
  123    H    VAL  18           H        VAL  18  -0.971   3.633  -0.521
  124    HA   VAL  18           HA       VAL  18  -3.160   1.638  -0.132
  125    HB   VAL  18           HB       VAL  18  -0.673   1.386  -1.869
  126   HG11  VAL  18          HG11      VAL  18  -1.207  -0.739  -0.763
  127   HG12  VAL  18          HG12      VAL  18  -2.919  -0.570  -1.212
  128   HG13  VAL  18          HG13      VAL  18  -1.677  -0.812  -2.471
  129   HG21  VAL  18          HG21      VAL  18  -2.380   2.735  -2.946
  130   HG22  VAL  18          HG22      VAL  18  -2.400   1.106  -3.665
  131   HG23  VAL  18          HG23      VAL  18  -3.647   1.560  -2.484
  132    H    PHE  19           H        PHE  19  -2.935   0.428   1.598
  133    HA   PHE  19           HA       PHE  19  -0.435   0.464   3.150
  134    HB2  PHE  19           HB2      PHE  19  -2.607   0.755   4.271
  135    HB3  PHE  19           HB3      PHE  19  -3.180  -0.768   3.601
  136    HD1  PHE  19           HD1      PHE  19   0.158  -0.052   5.158
  137    HD2  PHE  19           HD2      PHE  19  -3.626  -2.084   5.506
  138    HE1  PHE  19           HE1      PHE  19   0.984  -1.275   7.147
  139    HE2  PHE  19           HE2      PHE  19  -2.797  -3.288   7.485
  140    HZ   PHE  19           HZ       PHE  19  -0.487  -2.909   8.303
  141    H    ILE  20           H        ILE  20   1.015  -1.188   3.205
  142    HA   ILE  20           HA       ILE  20   0.300  -3.734   1.811
  143    HB   ILE  20           HB       ILE  20   2.952  -2.271   1.902
  144   HG12  ILE  20          HG12      ILE  20   1.299  -2.903  -0.572
  145   HG13  ILE  20          HG11      ILE  20   1.088  -1.398   0.334
  146   HG21  ILE  20          HG21      ILE  20   2.193  -4.901   0.533
  147   HG22  ILE  20          HG22      ILE  20   3.750  -4.066   0.350
  148   HG23  ILE  20          HG23      ILE  20   3.279  -4.722   1.923
  149   HD11  ILE  20          HD11      ILE  20   3.487  -0.865   0.027
  150   HD12  ILE  20          HD12      ILE  20   3.699  -2.359  -0.911
  151   HD13  ILE  20          HD13      ILE  20   2.639  -1.071  -1.528
  152    H    GLY  21           H        GLY  21  -0.430  -4.547   3.807
  153    HA2  GLY  21           HA2      GLY  21   1.445  -4.759   6.057
  154    HA3  GLY  21           HA3      GLY  21  -0.210  -5.380   5.977
  155    H    ASN  22           H        ASN  22   1.541  -7.039   7.083
  156    HA   ASN  22           HA       ASN  22   2.620  -9.024   6.981
  157    HB2  ASN  22           HB2      ASN  22   0.239  -9.613   6.380
  158    HB3  ASN  22           HB3      ASN  22   0.716  -9.586   4.682
  159   HD21  ASN  22          HD21      ASN  22   0.165 -11.827   4.464
  160   HD22  ASN  22          HD22      ASN  22   1.241 -13.068   5.075
  161    H    LEU  23           H        LEU  23   4.171  -7.134   5.804
  162    HA   LEU  23           HA       LEU  23   5.157  -8.269   3.248
  163    HB2  LEU  23           HB2      LEU  23   4.639  -5.866   3.380
  164    HB3  LEU  23           HB3      LEU  23   5.776  -5.685   4.719
  165    HG   LEU  23           HG       LEU  23   7.646  -6.333   3.232
  166   HD11  LEU  23          HD11      LEU  23   5.504  -6.373   1.064
  167   HD12  LEU  23          HD12      LEU  23   7.256  -6.394   0.773
  168   HD13  LEU  23          HD13      LEU  23   6.494  -7.755   1.614
  169   HD21  LEU  23          HD21      LEU  23   6.942  -3.968   3.524
  170   HD22  LEU  23          HD22      LEU  23   7.669  -4.267   1.930
  171   HD23  LEU  23          HD23      LEU  23   5.899  -4.118   2.094
  172    H    ASN  24           H        ASN  24   7.316  -9.039   3.030
  173    HA   ASN  24           HA       ASN  24   8.354 -10.262   5.410
  174    HB2  ASN  24           HB2      ASN  24   8.553 -11.140   3.020
  175    HB3  ASN  24           HB3      ASN  24   9.752  -9.882   2.732
  176   HD21  ASN  24          HD21      ASN  24  11.576 -11.154   2.485
  177   HD22  ASN  24          HD22      ASN  24  12.207 -12.196   3.748
  178    H    THR  25           H        THR  25   9.336  -7.497   3.434
  179    HA   THR  25           HA       THR  25  10.698  -5.766   3.662
  180    HB   THR  25           HB       THR  25  10.836  -4.611   5.760
  181    HG1  THR  25           HG1      THR  25  10.041  -7.094   6.835
  182   HG21  THR  25          HG21      THR  25   8.427  -4.511   6.310
  183   HG22  THR  25          HG22      THR  25   8.706  -4.569   4.557
  184   HG23  THR  25          HG23      THR  25   8.154  -6.026   5.432
  185    H    LEU  26           H        LEU  26  11.837  -8.738   4.786
  186    HA   LEU  26           HA       LEU  26  14.501  -7.831   5.521
  187    HB2  LEU  26           HB2      LEU  26  13.337 -10.528   4.740
  188    HB3  LEU  26           HB3      LEU  26  14.975 -10.283   5.366
  189    HG   LEU  26           HG       LEU  26  12.350  -9.752   6.827
  190   HD11  LEU  26          HD11      LEU  26  14.603 -11.742   7.307
  191   HD12  LEU  26          HD12      LEU  26  13.143 -11.549   8.310
  192   HD13  LEU  26          HD13      LEU  26  13.005 -12.123   6.631
  193   HD21  LEU  26          HD21      LEU  26  13.802  -9.264   8.798
  194   HD22  LEU  26          HD22      LEU  26  15.228  -9.299   7.734
  195   HD23  LEU  26          HD23      LEU  26  13.969  -8.057   7.517
  196    H    VAL  27           H        VAL  27  12.829  -8.636   2.550
  197    HA   VAL  27           HA       VAL  27  15.433  -8.502   1.081
  198    HB   VAL  27           HB       VAL  27  12.920 -10.053   0.360
  199   HG11  VAL  27          HG11      VAL  27  15.658  -9.888  -0.971
  200   HG12  VAL  27          HG12      VAL  27  14.386 -11.054  -1.399
  201   HG13  VAL  27          HG13      VAL  27  14.116  -9.324  -1.659
  202   HG21  VAL  27          HG21      VAL  27  14.149 -11.074   2.249
  203   HG22  VAL  27          HG22      VAL  27  14.341 -12.042   0.775
  204   HG23  VAL  27          HG23      VAL  27  15.661 -10.976   1.319
  205    H    VAL  28           H        VAL  28  12.162  -7.219   1.384
  206    HA   VAL  28           HA       VAL  28  12.588  -5.624  -1.098
  207    HB   VAL  28           HB       VAL  28  10.068  -6.029   0.545
  208   HG11  VAL  28          HG11      VAL  28   8.951  -5.010  -1.414
  209   HG12  VAL  28          HG12      VAL  28  10.077  -3.872  -0.645
  210   HG13  VAL  28          HG13      VAL  28  10.535  -4.696  -2.158
  211   HG21  VAL  28          HG21      VAL  28  10.720  -8.094  -0.586
  212   HG22  VAL  28          HG22      VAL  28   9.362  -7.360  -1.454
  213   HG23  VAL  28          HG23      VAL  28  11.010  -7.209  -2.107
  214    H    LYS  29           H        LYS  29  12.641  -3.408  -1.070
  215    HA   LYS  29           HA       LYS  29  12.586  -2.023   1.569
  216    HB2  LYS  29           HB2      LYS  29  14.809  -1.891  -0.518
  217    HB3  LYS  29           HB3      LYS  29  14.576  -0.724   0.786
  218    HG2  LYS  29           HG2      LYS  29  16.135  -2.085   1.740
  219    HG3  LYS  29           HG3      LYS  29  14.643  -2.789   2.376
  220    HD2  LYS  29           HD2      LYS  29  14.769  -4.553   0.577
  221    HD3  LYS  29           HD3      LYS  29  16.234  -3.781  -0.039
  222    HE2  LYS  29           HE2      LYS  29  16.794  -5.709   1.370
  223    HE3  LYS  29           HE3      LYS  29  17.378  -4.207   2.103
  224    HZ1  LYS  29           HZ1      LYS  29  15.476  -4.232   3.554
  225    HZ2  LYS  29           HZ2      LYS  29  14.883  -5.593   2.860
  226    HZ3  LYS  29           HZ3      LYS  29  16.297  -5.647   3.697
  227    H    LYS  30           H        LYS  30  12.745   0.399   1.174
  228    HA   LYS  30           HA       LYS  30  10.489   1.213  -0.372
  229    HB2  LYS  30           HB2      LYS  30  11.187   3.487   0.360
  230    HB3  LYS  30           HB3      LYS  30  11.116   2.294   1.670
  231    HG2  LYS  30           HG2      LYS  30  13.720   1.993   1.014
  232    HG3  LYS  30           HG3      LYS  30  13.497   3.669   0.477
  233    HD2  LYS  30           HD2      LYS  30  12.779   2.533   3.210
  234    HD3  LYS  30           HD3      LYS  30  14.253   3.450   2.852
  235    HE2  LYS  30           HE2      LYS  30  12.880   5.407   2.184
  236    HE3  LYS  30           HE3      LYS  30  11.404   4.504   2.574
  237    HZ1  LYS  30           HZ1      LYS  30  12.065   5.931   4.378
  238    HZ2  LYS  30           HZ2      LYS  30  12.174   4.365   4.850
  239    HZ3  LYS  30           HZ3      LYS  30  13.536   5.207   4.480
  240    H    SER  31           H        SER  31  13.619   0.482  -1.395
  241    HA   SER  31           HA       SER  31  13.483   2.303  -3.729
  242    HB2  SER  31           HB2      SER  31  15.650   0.356  -2.849
  243    HB3  SER  31           HB3      SER  31  15.768   1.527  -4.181
  244    HG   SER  31           HG       SER  31  15.498   3.188  -2.664
  245    H    ASP  32           H        ASP  32  12.191  -0.622  -2.847
  246    HA   ASP  32           HA       ASP  32  12.370  -1.780  -5.592
  247    HB2  ASP  32           HB2      ASP  32  11.979  -2.997  -2.836
  248    HB3  ASP  32           HB3      ASP  32  11.708  -3.885  -4.331
  249    H    VAL  33           H        VAL  33  10.256  -0.836  -2.866
  250    HA   VAL  33           HA       VAL  33   7.803  -1.818  -3.959
  251    HB   VAL  33           HB       VAL  33   8.423   0.506  -2.091
  252   HG11  VAL  33          HG11      VAL  33   6.199   0.802  -3.139
  253   HG12  VAL  33          HG12      VAL  33   5.769  -0.863  -2.682
  254   HG13  VAL  33          HG13      VAL  33   6.058   0.361  -1.426
  255   HG21  VAL  33          HG21      VAL  33   7.447  -2.351  -1.616
  256   HG22  VAL  33          HG22      VAL  33   9.068  -1.736  -1.229
  257   HG23  VAL  33          HG23      VAL  33   7.651  -1.109  -0.363
  258    H    GLU  34           H        GLU  34   9.714   1.133  -4.543
  259    HA   GLU  34           HA       GLU  34   7.627   2.331  -6.170
  260    HB2  GLU  34           HB2      GLU  34   9.233   4.074  -6.638
  261    HB3  GLU  34           HB3      GLU  34   9.176   3.725  -4.898
  262    HG2  GLU  34           HG2      GLU  34  11.225   2.369  -5.094
  263    HG3  GLU  34           HG3      GLU  34  11.276   2.668  -6.837
  264    H    ALA  35           H        ALA  35   9.267  -0.372  -6.780
  265    HA   ALA  35           HA       ALA  35   9.338   0.185  -9.708
  266    HB1  ALA  35           HB1      ALA  35  11.194  -1.625  -8.106
  267    HB2  ALA  35           HB2      ALA  35  11.190  -1.431  -9.872
  268    HB3  ALA  35           HB3      ALA  35  11.622  -0.056  -8.825
  269    H    ILE  36           H        ILE  36   7.886  -1.506  -7.161
  270    HA   ILE  36           HA       ILE  36   7.001  -3.722  -8.969
  271    HB   ILE  36           HB       ILE  36   7.063  -3.476  -5.939
  272   HG12  ILE  36          HG12      ILE  36   8.578  -5.404  -7.746
  273   HG13  ILE  36          HG11      ILE  36   9.248  -3.849  -7.241
  274   HG21  ILE  36          HG21      ILE  36   6.126  -5.755  -7.731
  275   HG22  ILE  36          HG22      ILE  36   6.330  -5.860  -5.963
  276   HG23  ILE  36          HG23      ILE  36   5.110  -4.781  -6.647
  277   HD11  ILE  36          HD11      ILE  36  10.044  -5.581  -5.730
  278   HD12  ILE  36          HD12      ILE  36   8.954  -4.494  -4.853
  279   HD13  ILE  36          HD13      ILE  36   8.385  -6.100  -5.379
  280    H    PHE  37           H        PHE  37   5.970  -0.942  -7.060
  281    HA   PHE  37           HA       PHE  37   3.132  -1.607  -7.647
  282    HB2  PHE  37           HB2      PHE  37   4.450   0.193  -5.597
  283    HB3  PHE  37           HB3      PHE  37   2.719   0.210  -5.927
  284    HD1  PHE  37           HD1      PHE  37   5.502  -1.967  -4.760
  285    HD2  PHE  37           HD2      PHE  37   1.255  -1.386  -5.002
  286    HE1  PHE  37           HE1      PHE  37   5.154  -3.862  -3.191
  287    HE2  PHE  37           HE2      PHE  37   0.905  -3.287  -3.433
  288    HZ   PHE  37           HZ       PHE  37   2.858  -4.509  -2.519
  289    H    SER  38           H        SER  38   5.700   0.178  -8.891
  290    HA   SER  38           HA       SER  38   4.267   2.587  -9.639
  291    HB2  SER  38           HB2      SER  38   6.264   2.955 -11.072
  292    HB3  SER  38           HB3      SER  38   6.688   2.576  -9.381
  293    HG   SER  38           HG       SER  38   7.916   1.391 -10.951
  294    H    LYS  39           H        LYS  39   4.297  -0.643 -10.799
  295    HA   LYS  39           HA       LYS  39   3.687   0.003 -13.574
  296    HB2  LYS  39           HB2      LYS  39   3.507  -2.406 -13.833
  297    HB3  LYS  39           HB3      LYS  39   4.950  -1.985 -12.884
  298    HG2  LYS  39           HG2      LYS  39   3.455  -2.329 -10.795
  299    HG3  LYS  39           HG3      LYS  39   2.322  -3.139 -11.892
  300    HD2  LYS  39           HD2      LYS  39   5.249  -3.862 -11.473
  301    HD3  LYS  39           HD3      LYS  39   3.868  -4.734 -10.780
  302    HE2  LYS  39           HE2      LYS  39   3.041  -5.234 -13.071
  303    HE3  LYS  39           HE3      LYS  39   4.452  -4.408 -13.754
  304    HZ1  LYS  39           HZ1      LYS  39   4.781  -6.769 -13.652
  305    HZ2  LYS  39           HZ2      LYS  39   5.851  -6.014 -12.658
  306    HZ3  LYS  39           HZ3      LYS  39   4.543  -6.784 -12.025
  307    H    TYR  40           H        TYR  40   1.852  -0.023 -10.673
  308    HA   TYR  40           HA       TYR  40  -0.674  -0.471 -12.197
  309    HB2  TYR  40           HB2      TYR  40  -0.196  -0.419  -9.203
  310    HB3  TYR  40           HB3      TYR  40  -1.711  -0.816 -10.021
  311    HD1  TYR  40           HD1      TYR  40  -1.673  -2.836 -11.670
  312    HD2  TYR  40           HD2      TYR  40   1.341  -2.100  -8.696
  313    HE1  TYR  40           HE1      TYR  40  -0.934  -5.205 -11.839
  314    HE2  TYR  40           HE2      TYR  40   2.107  -4.444  -8.876
  315    HH   TYR  40           HH       TYR  40   1.724  -6.497  -9.816
  316    H    GLY  41           H        GLY  41   1.301   1.976 -10.773
  317    HA2  GLY  41           HA2      GLY  41  -0.367   4.024 -11.850
  318    HA3  GLY  41           HA3      GLY  41  -0.607   3.941 -10.095
  319    H    LYS  42           H        LYS  42   0.413   6.214 -11.338
  320    HA   LYS  42           HA       LYS  42   3.302   6.294 -11.153
  321    HB2  LYS  42           HB2      LYS  42   2.165   7.809 -12.642
  322    HB3  LYS  42           HB3      LYS  42   1.090   8.373 -11.351
  323    HG2  LYS  42           HG2      LYS  42   2.967   9.411 -10.178
  324    HG3  LYS  42           HG3      LYS  42   4.106   8.809 -11.405
  325    HD2  LYS  42           HD2      LYS  42   3.096  10.165 -13.121
  326    HD3  LYS  42           HD3      LYS  42   1.729  10.597 -12.064
  327    HE2  LYS  42           HE2      LYS  42   3.231  11.745 -10.524
  328    HE3  LYS  42           HE3      LYS  42   4.631  11.301 -11.511
  329    HZ1  LYS  42           HZ1      LYS  42   3.695  12.598 -13.312
  330    HZ2  LYS  42           HZ2      LYS  42   2.391  12.997 -12.399
  331    HZ3  LYS  42           HZ3      LYS  42   3.882  13.539 -11.976
  332    H    ILE  43           H        ILE  43   4.334   6.072  -9.273
  333    HA   ILE  43           HA       ILE  43   2.992   6.656  -6.751
  334    HB   ILE  43           HB       ILE  43   5.770   5.615  -7.424
  335   HG12  ILE  43          HG12      ILE  43   3.245   4.271  -6.367
  336   HG13  ILE  43          HG11      ILE  43   3.866   4.136  -8.024
  337   HG21  ILE  43          HG21      ILE  43   4.352   5.735  -4.722
  338   HG22  ILE  43          HG22      ILE  43   5.969   5.058  -5.045
  339   HG23  ILE  43          HG23      ILE  43   5.696   6.797  -5.212
  340   HD11  ILE  43          HD11      ILE  43   4.473   2.160  -6.724
  341   HD12  ILE  43          HD12      ILE  43   5.928   3.080  -7.172
  342   HD13  ILE  43          HD13      ILE  43   5.280   3.148  -5.507
  343    H    VAL  44           H        VAL  44   3.161   8.444  -5.572
  344    HA   VAL  44           HA       VAL  44   5.122  10.518  -6.430
  345    HB   VAL  44           HB       VAL  44   3.580  12.144  -5.425
  346   HG11  VAL  44          HG11      VAL  44   1.809  11.975  -7.110
  347   HG12  VAL  44          HG12      VAL  44   3.383  11.556  -7.815
  348   HG13  VAL  44          HG13      VAL  44   2.225  10.268  -7.405
  349   HG21  VAL  44          HG21      VAL  44   2.541  10.675  -3.715
  350   HG22  VAL  44          HG22      VAL  44   1.311  11.456  -4.735
  351   HG23  VAL  44          HG23      VAL  44   1.728   9.757  -5.004
  352    H    GLY  45           H        GLY  45   4.489   8.216  -4.051
  353    HA2  GLY  45           HA2      GLY  45   6.695   9.103  -2.448
  354    HA3  GLY  45           HA3      GLY  45   5.155   9.380  -1.613
  355    H    CYS  46           H        CYS  46   7.365   7.446  -1.008
  356    HA   CYS  46           HA       CYS  46   5.658   5.096  -0.648
  357    HB2  CYS  46           HB2      CYS  46   7.208   3.547  -1.700
  358    HB3  CYS  46           HB3      CYS  46   6.740   4.781  -2.895
  359    HG   CYS  46           HG       CYS  46   9.427   4.761  -0.960
  360    H    SER  47           H        SER  47   6.429   3.691   1.005
  361    HA   SER  47           HA       SER  47   8.986   4.298   2.292
  362    HB2  SER  47           HB2      SER  47   8.021   4.822   4.477
  363    HB3  SER  47           HB3      SER  47   7.472   6.002   3.268
  364    HG   SER  47           HG       SER  47   5.637   5.419   4.228
  365    H    VAL  48           H        VAL  48   9.686   2.643   3.642
  366    HA   VAL  48           HA       VAL  48   7.871   0.291   3.913
  367    HB   VAL  48           HB       VAL  48  10.837   0.298   3.246
  368   HG11  VAL  48          HG11      VAL  48   8.947  -2.016   3.864
  369   HG12  VAL  48          HG12      VAL  48  10.585  -2.184   3.191
  370   HG13  VAL  48          HG13      VAL  48  10.375  -1.526   4.816
  371   HG21  VAL  48          HG21      VAL  48   9.360   0.713   1.322
  372   HG22  VAL  48          HG22      VAL  48  10.028  -0.935   1.231
  373   HG23  VAL  48          HG23      VAL  48   8.357  -0.683   1.769
  374    H    HIS  49           H        HIS  49   8.034  -0.854   5.819
  375    HA   HIS  49           HA       HIS  49   9.607   0.355   8.023
  376    HB2  HIS  49           HB2      HIS  49   6.659  -0.396   8.095
  377    HB3  HIS  49           HB3      HIS  49   7.598   0.307   9.420
  378    HD2  HIS  49           HD2      HIS  49   6.131   1.239   5.943
  379    HE1  HIS  49           HE1      HIS  49   6.971   4.886   7.956
  380    HE2  HIS  49           HE2      HIS  49   5.939   3.843   5.871
  381    H    LYS  50           H        LYS  50   8.693  -1.368  10.050
  382    HA   LYS  50           HA       LYS  50   9.746  -3.946   9.067
  383    HB2  LYS  50           HB2      LYS  50   8.942  -3.026  11.856
  384    HB3  LYS  50           HB3      LYS  50   9.700  -4.578  11.467
  385    HG2  LYS  50           HG2      LYS  50  10.942  -1.836  10.989
  386    HG3  LYS  50           HG3      LYS  50  11.338  -2.939  12.318
  387    HD2  LYS  50           HD2      LYS  50  12.078  -4.645  10.652
  388    HD3  LYS  50           HD3      LYS  50  11.762  -3.483   9.345
  389    HE2  LYS  50           HE2      LYS  50  13.361  -1.894  10.360
  390    HE3  LYS  50           HE3      LYS  50  13.682  -3.051  11.667
  391    HZ1  LYS  50           HZ1      LYS  50  15.342  -3.187   9.961
  392    HZ2  LYS  50           HZ2      LYS  50  14.493  -4.590  10.029
  393    HZ3  LYS  50           HZ3      LYS  50  14.212  -3.520   8.811
  394    H    GLY  51           H        GLY  51   8.475  -5.386   8.212
  395    HA2  GLY  51           HA2      GLY  51   6.779  -6.950   8.137
  396    HA3  GLY  51           HA3      GLY  51   6.016  -6.194   9.537
  397    H    PHE  52           H        PHE  52   6.389  -3.560   7.600
  398    HA   PHE  52           HA       PHE  52   4.242  -4.162   5.687
  399    HB2  PHE  52           HB2      PHE  52   2.745  -2.446   6.463
  400    HB3  PHE  52           HB3      PHE  52   2.984  -3.642   7.724
  401    HD1  PHE  52           HD1      PHE  52   4.474  -3.070   9.702
  402    HD2  PHE  52           HD2      PHE  52   3.316  -0.150   6.766
  403    HE1  PHE  52           HE1      PHE  52   5.121  -1.250  11.254
  404    HE2  PHE  52           HE2      PHE  52   3.950   1.667   8.317
  405    HZ   PHE  52           HZ       PHE  52   4.862   1.120  10.569
  406    H    ALA  53           H        ALA  53   3.643  -2.122   4.443
  407    HA   ALA  53           HA       ALA  53   5.704  -0.025   4.329
  408    HB1  ALA  53           HB1      ALA  53   5.101  -1.907   2.015
  409    HB2  ALA  53           HB2      ALA  53   6.058  -0.411   1.901
  410    HB3  ALA  53           HB3      ALA  53   6.641  -1.759   2.904
  411    H    PHE  54           H        PHE  54   5.048   1.584   2.529
  412    HA   PHE  54           HA       PHE  54   2.127   1.680   2.064
  413    HB2  PHE  54           HB2      PHE  54   3.801   3.611   3.650
  414    HB3  PHE  54           HB3      PHE  54   2.530   4.256   2.620
  415    HD1  PHE  54           HD1      PHE  54   0.171   3.288   2.841
  416    HD2  PHE  54           HD2      PHE  54   3.230   2.816   5.827
  417    HE1  PHE  54           HE1      PHE  54  -1.569   2.842   4.552
  418    HE2  PHE  54           HE2      PHE  54   1.485   2.365   7.534
  419    HZ   PHE  54           HZ       PHE  54  -0.910   2.379   6.895
  420    H    VAL  55           H        VAL  55   1.513   2.813   0.251
  421    HA   VAL  55           HA       VAL  55   3.632   4.041  -1.432
  422    HB   VAL  55           HB       VAL  55   1.570   1.986  -2.333
  423   HG11  VAL  55          HG11      VAL  55   1.757   3.774  -4.014
  424   HG12  VAL  55          HG12      VAL  55   3.536   3.679  -3.937
  425   HG13  VAL  55          HG13      VAL  55   2.591   2.319  -4.582
  426   HG21  VAL  55          HG21      VAL  55   3.613   1.031  -1.315
  427   HG22  VAL  55          HG22      VAL  55   3.602   0.757  -3.072
  428   HG23  VAL  55          HG23      VAL  55   4.614   2.048  -2.382
  429    H    GLN  56           H        GLN  56   2.991   5.846  -2.494
  430    HA   GLN  56           HA       GLN  56   0.179   6.727  -2.042
  431    HB2  GLN  56           HB2      GLN  56   1.992   7.865  -0.681
  432    HB3  GLN  56           HB3      GLN  56   2.730   8.390  -2.202
  433    HG2  GLN  56           HG2      GLN  56   1.451  10.232  -1.410
  434    HG3  GLN  56           HG3      GLN  56   0.539   9.537  -2.761
  435   HE21  GLN  56          HE21      GLN  56  -1.615   9.342  -2.379
  436   HE22  GLN  56          HE22      GLN  56  -2.333   9.120  -0.805
  437    H    TYR  57           H        TYR  57  -0.961   7.238  -3.829
  438    HA   TYR  57           HA       TYR  57   0.497   7.442  -6.421
  439    HB2  TYR  57           HB2      TYR  57  -2.308   6.485  -5.765
  440    HB3  TYR  57           HB3      TYR  57  -1.689   6.767  -7.393
  441    HD1  TYR  57           HD1      TYR  57   0.771   5.643  -7.746
  442    HD2  TYR  57           HD2      TYR  57  -2.361   4.210  -5.169
  443    HE1  TYR  57           HE1      TYR  57   1.724   3.348  -7.867
  444    HE2  TYR  57           HE2      TYR  57  -1.389   1.929  -5.262
  445    HH   TYR  57           HH       TYR  57   1.500   1.185  -7.239
  446    H    VAL  58           H        VAL  58  -0.969   8.641  -8.098
  447    HA   VAL  58           HA       VAL  58  -1.276  11.355  -7.158
  448    HB   VAL  58           HB       VAL  58  -1.924   9.953  -9.781
  449   HG11  VAL  58          HG11      VAL  58  -1.993  12.921  -9.100
  450   HG12  VAL  58          HG12      VAL  58  -2.075  12.239 -10.745
  451   HG13  VAL  58          HG13      VAL  58  -3.380  11.917  -9.588
  452   HG21  VAL  58          HG21      VAL  58   0.463  10.092  -9.212
  453   HG22  VAL  58          HG22      VAL  58   0.071  11.171 -10.573
  454   HG23  VAL  58          HG23      VAL  58   0.307  11.844  -8.945
  455    H    ASN  59           H        ASN  59  -3.488   8.611  -7.725
  456    HA   ASN  59           HA       ASN  59  -5.528  10.083  -6.264
  457    HB2  ASN  59           HB2      ASN  59  -7.138  10.323  -7.862
  458    HB3  ASN  59           HB3      ASN  59  -5.678  10.702  -8.799
  459   HD21  ASN  59          HD21      ASN  59  -4.678   8.424  -9.742
  460   HD22  ASN  59          HD22      ASN  59  -5.889   7.478 -10.575
  461    H    GLU  60           H        GLU  60  -7.577   8.751  -6.027
  462    HA   GLU  60           HA       GLU  60  -6.934   6.304  -4.794
  463    HB2  GLU  60           HB2      GLU  60  -8.829   7.730  -4.211
  464    HB3  GLU  60           HB3      GLU  60  -9.574   7.425  -5.792
  465    HG2  GLU  60           HG2      GLU  60  -9.774   5.021  -5.247
  466    HG3  GLU  60           HG3      GLU  60  -8.990   5.303  -3.681
  467    H    ARG  61           H        ARG  61  -7.956   6.931  -8.177
  468    HA   ARG  61           HA       ARG  61  -8.784   4.279  -8.785
  469    HB2  ARG  61           HB2      ARG  61  -9.232   6.055 -10.328
  470    HB3  ARG  61           HB3      ARG  61  -7.515   6.490 -10.436
  471    HG2  ARG  61           HG2      ARG  61  -8.324   5.308 -12.443
  472    HG3  ARG  61           HG3      ARG  61  -6.973   4.485 -11.647
  473    HD2  ARG  61           HD2      ARG  61  -8.502   2.893 -10.609
  474    HD3  ARG  61           HD3      ARG  61  -9.902   3.760 -11.276
  475    HE   ARG  61           HE       ARG  61  -8.609   3.200 -13.543
  476   HH11  ARG  61          HH11      ARG  61  -9.152   1.116 -10.742
  477   HH12  ARG  61          HH12      ARG  61  -9.152  -0.355 -11.692
  478   HH21  ARG  61          HH21      ARG  61  -8.603   1.267 -14.749
  479   HH22  ARG  61          HH22      ARG  61  -8.839  -0.268 -13.948
  480    H    ASN  62           H        ASN  62  -5.538   5.778  -8.686
  481    HA   ASN  62           HA       ASN  62  -4.242   3.446  -9.792
  482    HB2  ASN  62           HB2      ASN  62  -3.342   5.918  -8.297
  483    HB3  ASN  62           HB3      ASN  62  -2.193   4.637  -8.780
  484   HD21  ASN  62          HD21      ASN  62  -2.849   3.864 -11.227
  485   HD22  ASN  62          HD22      ASN  62  -2.869   5.202 -12.359
  486    H    ALA  63           H        ALA  63  -5.310   4.372  -6.584
  487    HA   ALA  63           HA       ALA  63  -3.662   2.429  -5.194
  488    HB1  ALA  63           HB1      ALA  63  -6.201   3.887  -4.338
  489    HB2  ALA  63           HB2      ALA  63  -5.134   2.962  -3.272
  490    HB3  ALA  63           HB3      ALA  63  -4.527   4.434  -4.060
  491    H    ARG  64           H        ARG  64  -6.959   2.498  -6.551
  492    HA   ARG  64           HA       ARG  64  -7.749  -0.067  -5.483
  493    HB2  ARG  64           HB2      ARG  64  -8.737   1.445  -7.937
  494    HB3  ARG  64           HB3      ARG  64  -9.548   0.060  -7.199
  495    HG2  ARG  64           HG2      ARG  64  -9.058   2.734  -5.828
  496    HG3  ARG  64           HG3      ARG  64 -10.576   2.220  -6.568
  497    HD2  ARG  64           HD2      ARG  64 -10.707   0.327  -4.975
  498    HD3  ARG  64           HD3      ARG  64  -9.193   0.873  -4.213
  499    HE   ARG  64           HE       ARG  64 -10.900   3.095  -4.230
  500   HH11  ARG  64          HH11      ARG  64 -10.950  -0.152  -2.793
  501   HH12  ARG  64          HH12      ARG  64 -11.922   0.368  -1.434
  502   HH21  ARG  64          HH21      ARG  64 -12.146   3.703  -2.475
  503   HH22  ARG  64          HH22      ARG  64 -12.607   2.527  -1.256
  504    H    ALA  65           H        ALA  65  -5.816   0.920  -8.266
  505    HA   ALA  65           HA       ALA  65  -6.102  -1.649  -9.614
  506    HB1  ALA  65           HB1      ALA  65  -5.745   0.485 -10.823
  507    HB2  ALA  65           HB2      ALA  65  -4.161   0.656 -10.040
  508    HB3  ALA  65           HB3      ALA  65  -4.452  -0.698 -11.161
  509    H    ALA  66           H        ALA  66  -3.805  -0.145  -7.324
  510    HA   ALA  66           HA       ALA  66  -1.886  -2.325  -7.640
  511    HB1  ALA  66           HB1      ALA  66  -2.101  -0.093  -5.591
  512    HB2  ALA  66           HB2      ALA  66  -0.681  -1.132  -5.882
  513    HB3  ALA  66           HB3      ALA  66  -1.242   0.002  -7.144
  514    H    VAL  67           H        VAL  67  -4.482  -1.421  -5.346
  515    HA   VAL  67           HA       VAL  67  -3.974  -3.499  -3.439
  516    HB   VAL  67           HB       VAL  67  -6.451  -1.934  -4.252
  517   HG11  VAL  67          HG11      VAL  67  -7.468  -2.771  -2.131
  518   HG12  VAL  67          HG12      VAL  67  -7.258  -4.050  -3.339
  519   HG13  VAL  67          HG13      VAL  67  -6.124  -3.926  -1.970
  520   HG21  VAL  67          HG21      VAL  67  -4.740  -1.885  -1.732
  521   HG22  VAL  67          HG22      VAL  67  -4.542  -0.750  -3.082
  522   HG23  VAL  67          HG23      VAL  67  -6.054  -0.759  -2.150
  523    H    ALA  68           H        ALA  68  -5.743  -3.424  -6.552
  524    HA   ALA  68           HA       ALA  68  -6.610  -6.209  -6.127
  525    HB1  ALA  68           HB1      ALA  68  -7.812  -5.881  -8.253
  526    HB2  ALA  68           HB2      ALA  68  -8.168  -4.574  -7.103
  527    HB3  ALA  68           HB3      ALA  68  -7.036  -4.294  -8.453
  528    H    GLY  69           H        GLY  69  -3.833  -4.629  -7.343
  529    HA2  GLY  69           HA2      GLY  69  -3.276  -6.775  -9.316
  530    HA3  GLY  69           HA3      GLY  69  -2.448  -5.222  -9.160
  531    H    GLU  70           H        GLU  70  -2.493  -5.988  -6.022
  532    HA   GLU  70           HA       GLU  70  -0.036  -7.708  -6.169
  533    HB2  GLU  70           HB2      GLU  70  -0.386  -5.008  -4.844
  534    HB3  GLU  70           HB3      GLU  70   0.922  -6.126  -4.439
  535    HG2  GLU  70           HG2      GLU  70   0.404  -5.163  -7.274
  536    HG3  GLU  70           HG3      GLU  70   1.489  -4.335  -6.150
  537    H    ASP  71           H        ASP  71  -2.987  -6.805  -4.406
  538    HA   ASP  71           HA       ASP  71  -2.245  -7.927  -1.895
  539    HB2  ASP  71           HB2      ASP  71  -4.243  -6.547  -2.210
  540    HB3  ASP  71           HB3      ASP  71  -4.938  -7.769  -3.289
  541    H    GLY  72           H        GLY  72  -1.584  -9.957  -1.468
  542    HA2  GLY  72           HA2      GLY  72  -1.848 -12.271  -1.318
  543    HA3  GLY  72           HA3      GLY  72  -3.096 -12.221  -2.586
  544    H    ARG  73           H        ARG  73  -0.374 -10.369  -3.483
  545    HA   ARG  73           HA       ARG  73   0.624 -12.390  -5.327
  546    HB2  ARG  73           HB2      ARG  73   2.047 -10.715  -6.137
  547    HB3  ARG  73           HB3      ARG  73   0.547  -9.876  -5.721
  548    HG2  ARG  73           HG2      ARG  73   1.885  -8.449  -4.553
  549    HG3  ARG  73           HG3      ARG  73   1.971  -9.740  -3.342
  550    HD2  ARG  73           HD2      ARG  73   4.216  -9.038  -3.880
  551    HD3  ARG  73           HD3      ARG  73   3.993 -10.636  -4.621
  552    HE   ARG  73           HE       ARG  73   3.489  -8.169  -6.204
  553   HH11  ARG  73          HH11      ARG  73   5.453 -11.102  -5.760
  554   HH12  ARG  73          HH12      ARG  73   6.192 -10.954  -7.329
  555   HH21  ARG  73          HH21      ARG  73   4.470  -8.021  -8.197
  556   HH22  ARG  73          HH22      ARG  73   5.649  -9.206  -8.714
  557    H    MET  74           H        MET  74   3.159 -12.792  -5.188
  558    HA   MET  74           HA       MET  74   3.715 -13.430  -2.318
  559    HB2  MET  74           HB2      MET  74   3.158 -15.366  -3.771
  560    HB3  MET  74           HB3      MET  74   4.585 -15.008  -4.764
  561    HG2  MET  74           HG2      MET  74   6.081 -15.460  -2.982
  562    HG3  MET  74           HG3      MET  74   4.805 -15.313  -1.767
  563    HE1  MET  74           HE1      MET  74   2.414 -16.956  -2.662
  564    HE2  MET  74           HE2      MET  74   2.782 -18.548  -1.967
  565    HE3  MET  74           HE3      MET  74   3.155 -17.064  -1.057
  566    H    ILE  75           H        ILE  75   5.326 -12.330  -1.488
  567    HA   ILE  75           HA       ILE  75   7.589 -11.582  -3.271
  568    HB   ILE  75           HB       ILE  75   5.727  -9.859  -1.864
  569   HG12  ILE  75          HG12      ILE  75   8.105  -9.379  -3.698
  570   HG13  ILE  75          HG11      ILE  75   6.452  -9.745  -4.216
  571   HG21  ILE  75          HG21      ILE  75   8.666  -9.462  -1.185
  572   HG22  ILE  75          HG22      ILE  75   7.343  -8.316  -0.843
  573   HG23  ILE  75          HG23      ILE  75   7.370  -9.883  -0.039
  574   HD11  ILE  75          HD11      ILE  75   6.904  -7.343  -4.393
  575   HD12  ILE  75          HD12      ILE  75   5.661  -7.632  -3.167
  576   HD13  ILE  75          HD13      ILE  75   7.331  -7.260  -2.672
  577    H    ALA  76           H        ALA  76   9.590 -11.899  -2.500
  578    HA   ALA  76           HA       ALA  76  11.159 -13.020  -1.347
  579    HB1  ALA  76           HB1      ALA  76   9.725 -11.954   1.100
  580    HB2  ALA  76           HB2      ALA  76  11.426 -12.465   0.983
  581    HB3  ALA  76           HB3      ALA  76  10.872 -11.025   0.096
  582    H    GLY  77           H        GLY  77   8.411 -14.363  -1.821
  583    HA2  GLY  77           HA2      GLY  77   7.925 -16.631  -1.676
  584    HA3  GLY  77           HA3      GLY  77   9.067 -16.802  -0.324
  585    H    GLN  78           H        GLN  78   7.125 -14.080   0.270
  586    HA   GLN  78           HA       GLN  78   5.138 -15.688   1.794
  587    HB2  GLN  78           HB2      GLN  78   6.828 -14.921   3.297
  588    HB3  GLN  78           HB3      GLN  78   6.823 -13.308   2.586
  589    HG2  GLN  78           HG2      GLN  78   4.141 -13.909   3.482
  590    HG3  GLN  78           HG3      GLN  78   5.283 -14.270   4.788
  591   HE21  GLN  78          HE21      GLN  78   5.040 -11.793   2.167
  592   HE22  GLN  78          HE22      GLN  78   5.266 -10.415   3.228
  593    H    VAL  79           H        VAL  79   3.075 -15.137   1.517
  594    HA   VAL  79           HA       VAL  79   2.232 -13.393  -0.578
  595    HB   VAL  79           HB       VAL  79   0.670 -14.570   1.767
  596   HG11  VAL  79          HG11      VAL  79  -0.200 -13.592  -0.980
  597   HG12  VAL  79          HG12      VAL  79  -1.246 -14.423   0.199
  598   HG13  VAL  79          HG13      VAL  79  -0.588 -12.824   0.584
  599   HG21  VAL  79          HG21      VAL  79   0.106 -16.383   0.184
  600   HG22  VAL  79          HG22      VAL  79   1.218 -15.677  -1.010
  601   HG23  VAL  79          HG23      VAL  79   1.847 -16.329   0.524
  602    H    LEU  80           H        LEU  80   1.436 -11.335  -0.594
  603    HA   LEU  80           HA       LEU  80   1.837  -9.751   1.880
  604    HB2  LEU  80           HB2      LEU  80   1.185  -8.800  -0.932
  605    HB3  LEU  80           HB3      LEU  80   1.648  -7.810   0.458
  606    HG   LEU  80           HG       LEU  80   3.387  -9.817  -1.031
  607   HD11  LEU  80          HD11      LEU  80   3.487  -6.801  -0.570
  608   HD12  LEU  80          HD12      LEU  80   4.768  -7.745  -1.349
  609   HD13  LEU  80          HD13      LEU  80   3.158  -7.636  -2.107
  610   HD21  LEU  80          HD21      LEU  80   5.178  -9.144   0.538
  611   HD22  LEU  80          HD22      LEU  80   3.973  -8.236   1.498
  612   HD23  LEU  80          HD23      LEU  80   3.873 -10.010   1.367
  613    H    ASP  81           H        ASP  81   0.257  -8.258   2.639
  614    HA   ASP  81           HA       ASP  81  -2.541  -8.899   1.842
  615    HB2  ASP  81           HB2      ASP  81  -1.899  -9.817   4.082
  616    HB3  ASP  81           HB3      ASP  81  -1.523  -8.176   4.617
  617    H    ILE  82           H        ILE  82  -2.978  -7.216   0.507
  618    HA   ILE  82           HA       ILE  82  -2.032  -4.504   1.316
  619    HB   ILE  82           HB       ILE  82  -2.329  -5.812  -1.384
  620   HG12  ILE  82          HG12      ILE  82   0.093  -4.526  -0.083
  621   HG13  ILE  82          HG11      ILE  82  -0.310  -6.220   0.227
  622   HG21  ILE  82          HG21      ILE  82  -3.071  -3.431  -1.500
  623   HG22  ILE  82          HG22      ILE  82  -1.561  -2.936  -0.710
  624   HG23  ILE  82          HG23      ILE  82  -1.520  -3.670  -2.325
  625   HD11  ILE  82          HD11      ILE  82   0.147  -5.062  -2.532
  626   HD12  ILE  82          HD12      ILE  82   1.329  -6.002  -1.581
  627   HD13  ILE  82          HD13      ILE  82  -0.189  -6.769  -2.106
  628    H    ASN  83           H        ASN  83  -3.484  -2.803   1.279
  629    HA   ASN  83           HA       ASN  83  -6.119  -3.097   0.062
  630    HB2  ASN  83           HB2      ASN  83  -7.356  -2.783   2.169
  631    HB3  ASN  83           HB3      ASN  83  -6.468  -4.312   2.153
  632   HD21  ASN  83          HD21      ASN  83  -6.405  -0.938   3.406
  633   HD22  ASN  83          HD22      ASN  83  -5.399  -1.299   4.779
  634    H    LEU  84           H        LEU  84  -7.456  -1.142   0.347
  635    HA   LEU  84           HA       LEU  84  -6.062   1.277  -0.071
  636    HB2  LEU  84           HB2      LEU  84  -8.455   0.369  -0.643
  637    HB3  LEU  84           HB3      LEU  84  -8.910   0.974   0.944
  638    HG   LEU  84           HG       LEU  84  -9.502   2.482  -0.879
  639   HD11  LEU  84          HD11      LEU  84  -7.269   3.745   0.754
  640   HD12  LEU  84          HD12      LEU  84  -8.651   4.557  -0.004
  641   HD13  LEU  84          HD13      LEU  84  -8.929   3.447   1.350
  642   HD21  LEU  84          HD21      LEU  84  -7.868   3.605  -2.253
  643   HD22  LEU  84          HD22      LEU  84  -6.524   2.835  -1.387
  644   HD23  LEU  84          HD23      LEU  84  -7.619   1.854  -2.391
  645    H    ALA  85           H        ALA  85  -5.309   2.815   1.372
  646    HA   ALA  85           HA       ALA  85  -4.901   2.058   4.070
  647    HB1  ALA  85           HB1      ALA  85  -4.547   4.754   2.714
  648    HB2  ALA  85           HB2      ALA  85  -3.818   4.254   4.257
  649    HB3  ALA  85           HB3      ALA  85  -3.346   3.433   2.753
  650    H    ALA  86           H        ALA  86  -7.810   3.171   2.851
  651    HA   ALA  86           HA       ALA  86  -8.539   4.237   5.535
  652    HB1  ALA  86           HB1      ALA  86  -9.486   5.317   2.849
  653    HB2  ALA  86           HB2      ALA  86  -9.966   5.906   4.464
  654    HB3  ALA  86           HB3      ALA  86  -8.290   6.104   3.901
  655    H    GLU  87           H        GLU  87  -8.963   1.810   3.322
  656    HA   GLU  87           HA       GLU  87 -11.538   1.051   4.556
  657    HB2  GLU  87           HB2      GLU  87 -11.025   1.096   1.556
  658    HB3  GLU  87           HB3      GLU  87 -12.392   0.290   2.358
  659    HG2  GLU  87           HG2      GLU  87 -13.037   2.506   3.359
  660    HG3  GLU  87           HG3      GLU  87 -11.792   3.275   2.358
  661    HA   PRO  88           HA       PRO  88  -8.161  -2.175   4.423
  662    HB2  PRO  88           HB2      PRO  88  -8.474  -2.981   7.055
  663    HB3  PRO  88           HB3      PRO  88  -7.388  -1.672   6.515
  664    HG2  PRO  88           HG2      PRO  88 -10.196  -1.399   7.623
  665    HG3  PRO  88           HG3      PRO  88  -8.727  -0.459   8.059
  666    HD2  PRO  88           HD2      PRO  88 -10.553   0.517   6.323
  667    HD3  PRO  88           HD3      PRO  88  -8.797   0.769   6.059
  668    H    LYS  89           H        LYS  89  -8.571  -4.344   4.097
  669    HA   LYS  89           HA       LYS  89 -11.049  -4.906   2.977
  670    HB2  LYS  89           HB2      LYS  89 -10.232  -7.364   3.173
  671    HB3  LYS  89           HB3      LYS  89  -9.346  -6.207   2.164
  672    HG2  LYS  89           HG2      LYS  89  -7.648  -5.897   3.867
  673    HG3  LYS  89           HG3      LYS  89  -8.549  -6.891   5.027
  674    HD2  LYS  89           HD2      LYS  89  -6.762  -8.204   4.089
  675    HD3  LYS  89           HD3      LYS  89  -8.309  -8.849   3.516
  676    HE2  LYS  89           HE2      LYS  89  -8.025  -7.677   1.364
  677    HE3  LYS  89           HE3      LYS  89  -6.519  -6.939   1.954
  678    HZ1  LYS  89           HZ1      LYS  89  -6.066  -8.845   0.610
  679    HZ2  LYS  89           HZ2      LYS  89  -5.595  -9.129   2.158
  680    HZ3  LYS  89           HZ3      LYS  89  -6.970  -9.821   1.577
  681    H    VAL  90           H        VAL  90  -9.905  -6.677   5.897
  682    HA   VAL  90           HA       VAL  90 -12.575  -6.364   7.111
  683    HB   VAL  90           HB       VAL  90 -11.332  -9.083   6.502
  684   HG11  VAL  90          HG11      VAL  90 -13.884  -8.332   7.998
  685   HG12  VAL  90          HG12      VAL  90 -13.360  -9.985   7.609
  686   HG13  VAL  90          HG13      VAL  90 -12.408  -8.996   8.728
  687   HG21  VAL  90          HG21      VAL  90 -12.490  -8.197   4.522
  688   HG22  VAL  90          HG22      VAL  90 -13.430  -9.511   5.246
  689   HG23  VAL  90          HG23      VAL  90 -13.926  -7.826   5.511
  690    H    ASN  91           H        ASN  91  -9.217  -7.598   7.234
  691    HA   ASN  91           HA       ASN  91  -9.248  -7.171  10.173
  692    HB2  ASN  91           HB2      ASN  91  -8.076  -9.542   8.683
  693    HB3  ASN  91           HB3      ASN  91  -7.848  -9.204  10.402
  694   HD21  ASN  91          HD21      ASN  91  -9.876 -10.649   8.041
  695   HD22  ASN  91          HD22      ASN  91 -11.197 -11.088   9.109
  696    H    ARG  92           H        ARG  92  -7.095  -7.031  11.089
  697    HA   ARG  92           HA       ARG  92  -4.808  -6.361   9.300
  698    HB2  ARG  92           HB2      ARG  92  -5.718  -4.207   9.899
  699    HB3  ARG  92           HB3      ARG  92  -5.908  -4.707  11.592
  700    HG2  ARG  92           HG2      ARG  92  -3.470  -4.908  11.845
  701    HG3  ARG  92           HG3      ARG  92  -3.231  -4.461  10.133
  702    HD2  ARG  92           HD2      ARG  92  -4.061  -2.284  10.480
  703    HD3  ARG  92           HD3      ARG  92  -4.839  -2.754  12.022
  704    HE   ARG  92           HE       ARG  92  -1.899  -2.882  11.952
  705   HH11  ARG  92          HH11      ARG  92  -4.788  -1.040  12.849
  706   HH12  ARG  92          HH12      ARG  92  -3.943  -0.066  14.026
  707   HH21  ARG  92          HH21      ARG  92  -0.837  -1.608  13.478
  708   HH22  ARG  92          HH22      ARG  92  -1.695  -0.380  14.387
  709    H    GLY  93           H        GLY  93  -3.878  -8.367   9.824
  710    HA2  GLY  93           HA2      GLY  93  -3.849  -9.250  12.632
  711    HA3  GLY  93           HA3      GLY  93  -3.323 -10.174  11.209
  712    H    LYS  94           H        LYS  94  -1.389 -10.781  12.221
  713    HA   LYS  94           HA       LYS  94   0.675  -8.634  12.287
  714    HB2  LYS  94           HB2      LYS  94  -0.214  -9.232  14.551
  715    HB3  LYS  94           HB3      LYS  94   0.422 -10.878  14.308
  716    HG2  LYS  94           HG2      LYS  94   2.686 -10.024  14.092
  717    HG3  LYS  94           HG3      LYS  94   2.083  -8.342  14.068
  718    HD2  LYS  94           HD2      LYS  94   1.242  -8.594  16.358
  719    HD3  LYS  94           HD3      LYS  94   1.777 -10.287  16.394
  720    HE2  LYS  94           HE2      LYS  94   3.430  -8.914  17.547
  721    HE3  LYS  94           HE3      LYS  94   4.128  -9.528  16.043
  722    HZ1  LYS  94           HZ1      LYS  94   3.002  -6.832  16.438
  723    HZ2  LYS  94           HZ2      LYS  94   4.596  -7.201  16.370
  724    HZ3  LYS  94           HZ3      LYS  94   3.656  -7.393  15.033
  725    H    ALA  95           H        ALA  95  -0.335 -11.757  11.213
  726    HA   ALA  95           HA       ALA  95   2.289 -12.238   9.985
  727    HB1  ALA  95           HB1      ALA  95   0.951 -14.228  11.867
  728    HB2  ALA  95           HB2      ALA  95   2.437 -14.510  10.927
  729    HB3  ALA  95           HB3      ALA  95   2.423 -13.300  12.229
  730    H    GLY  96           H        GLY  96   2.159 -14.129   8.464
  731    HA2  GLY  96           HA2      GLY  96  -0.248 -13.955   6.870
  732    HA3  GLY  96           HA3      GLY  96   1.193 -14.939   6.547
  733    H    VAL  97           H        VAL  97   0.734 -15.995   9.510
  734    HA   VAL  97           HA       VAL  97  -1.042 -18.182   8.659
  735    HB   VAL  97           HB       VAL  97   1.082 -18.766   9.672
  736   HG11  VAL  97          HG11      VAL  97   0.054 -17.420  12.209
  737   HG12  VAL  97          HG12      VAL  97   1.551 -18.353  12.040
  738   HG13  VAL  97          HG13      VAL  97   1.376 -16.811  11.181
  739   HG21  VAL  97          HG21      VAL  97  -0.884 -20.239   9.962
  740   HG22  VAL  97          HG22      VAL  97   0.242 -20.347  11.333
  741   HG23  VAL  97          HG23      VAL  97  -1.266 -19.418  11.494
  742    H    LYS  98           H        LYS  98  -3.079 -18.474   9.341
  743    HA   LYS  98           HA       LYS  98  -4.138 -16.648  11.436
  744    HB2  LYS  98           HB2      LYS  98  -5.324 -17.212   8.692
  745    HB3  LYS  98           HB3      LYS  98  -6.091 -16.226   9.955
  746    HG2  LYS  98           HG2      LYS  98  -4.346 -14.570   9.856
  747    HG3  LYS  98           HG3      LYS  98  -3.323 -15.597   8.834
  748    HD2  LYS  98           HD2      LYS  98  -5.004 -15.530   7.042
  749    HD3  LYS  98           HD3      LYS  98  -5.978 -14.389   8.001
  750    HE2  LYS  98           HE2      LYS  98  -3.082 -13.956   7.127
  751    HE3  LYS  98           HE3      LYS  98  -4.496 -13.249   6.325
  752    HZ1  LYS  98           HZ1      LYS  98  -5.014 -12.130   8.389
  753    HZ2  LYS  98           HZ2      LYS  98  -3.675 -12.766   9.108
  754    HZ3  LYS  98           HZ3      LYS  98  -3.515 -11.713   7.859
  755    H    ARG  99           H        ARG  99  -3.394 -19.604  11.185
  756    HA   ARG  99           HA       ARG  99  -5.963 -20.736  12.188
  757    HB2  ARG  99           HB2      ARG  99  -4.192 -21.671   9.959
  758    HB3  ARG  99           HB3      ARG  99  -4.918 -22.886  11.031
  759    HG2  ARG  99           HG2      ARG  99  -7.145 -21.877  10.704
  760    HG3  ARG  99           HG3      ARG  99  -6.453 -20.712   9.543
  761    HD2  ARG  99           HD2      ARG  99  -5.678 -22.540   8.123
  762    HD3  ARG  99           HD3      ARG  99  -6.225 -23.734   9.318
  763    HE   ARG  99           HE       ARG  99  -7.863 -22.316   7.354
  764   HH11  ARG  99          HH11      ARG  99  -7.888 -24.057  10.448
  765   HH12  ARG  99          HH12      ARG  99  -9.580 -24.465  10.325
  766   HH21  ARG  99          HH21      ARG  99 -10.071 -22.875   7.239
  767   HH22  ARG  99          HH22      ARG  99 -10.812 -23.796   8.521
  768    H    SER 100           H        SER 100  -5.495 -22.924  13.252
  769    HA   SER 100           HA       SER 100  -3.633 -22.526  15.387
  770    HB2  SER 100           HB2      SER 100  -5.274 -24.897  14.427
  771    HB3  SER 100           HB3      SER 100  -4.331 -24.911  15.925
  772    HG   SER 100           HG       SER 100  -5.576 -23.147  16.638
  773    H    ALA 101           H        ALA 101  -3.239 -23.665  12.189
  774    HA   ALA 101           HA       ALA 101  -1.722 -24.907  11.079
  775    HB1  ALA 101           HB1      ALA 101  -0.344 -22.989  11.769
  776    HB2  ALA 101           HB2      ALA 101   0.153 -23.872  13.231
  777    HB3  ALA 101           HB3      ALA 101   0.617 -24.479  11.628
  778    H    ALA 102           H        ALA 102  -3.162 -26.203  13.439
  779    HA   ALA 102           HA       ALA 102  -1.625 -28.697  13.408
  780    HB1  ALA 102           HB1      ALA 102  -2.275 -27.230  15.993
  781    HB2  ALA 102           HB2      ALA 102  -1.570 -28.862  15.871
  782    HB3  ALA 102           HB3      ALA 102  -0.650 -27.454  15.298
  783    H    GLU 103           H        GLU 103  -4.538 -27.203  13.028
  784    HA   GLU 103           HA       GLU 103  -6.202 -28.871  14.686
  785    HB2  GLU 103           HB2      GLU 103  -8.059 -27.870  13.458
  786    HB3  GLU 103           HB3      GLU 103  -6.945 -26.644  14.071
  787    HG2  GLU 103           HG2      GLU 103  -6.518 -27.638  11.263
  788    HG3  GLU 103           HG3      GLU 103  -7.931 -26.625  11.581
  789    H    MET 104           H        MET 104  -4.434 -29.619  11.969
  790    HA   MET 104           HA       MET 104  -6.372 -31.704  11.084
  791    HB2  MET 104           HB2      MET 104  -4.050 -30.409   9.618
  792    HB3  MET 104           HB3      MET 104  -5.015 -31.755   8.984
  793    HG2  MET 104           HG2      MET 104  -7.058 -30.402   9.149
  794    HG3  MET 104           HG3      MET 104  -6.133 -29.040   9.782
  795    HE1  MET 104           HE1      MET 104  -4.018 -27.830   6.786
  796    HE2  MET 104           HE2      MET 104  -4.518 -27.561   8.471
  797    HE3  MET 104           HE3      MET 104  -3.499 -28.961   8.056
  798    H    TYR 105           H        TYR 105  -4.150 -31.544  13.340
  799    HA   TYR 105           HA       TYR 105  -2.917 -34.162  12.624
  800    HB2  TYR 105           HB2      TYR 105  -1.612 -31.861  14.107
  801    HB3  TYR 105           HB3      TYR 105  -0.891 -33.441  13.793
  802    HD1  TYR 105           HD1      TYR 105  -2.096 -30.306  12.208
  803    HD2  TYR 105           HD2      TYR 105   0.128 -33.946  11.674
  804    HE1  TYR 105           HE1      TYR 105  -1.193 -29.427  10.073
  805    HE2  TYR 105           HE2      TYR 105   1.018 -33.087   9.518
  806    HH   TYR 105           HH       TYR 105   1.061 -31.339   8.044
  807    H    GLY 106           H        GLY 106  -5.125 -32.706  14.591
  808    HA2  GLY 106           HA2      GLY 106  -6.193 -33.437  16.489
  809    HA3  GLY 106           HA3      GLY 106  -5.188 -34.896  16.451
  810    H5'    U   1           H5'        U   1   3.528  -7.237   9.377
  811   H5''    U   1          H5''        U   1   4.127  -6.303  10.765
  812    H4'    U   1           H4'        U   1   3.200  -4.692   9.385
  813    H3'    U   1           H3'        U   1   2.034  -5.012  11.828
  814    H2'    U   1           H2'        U   1   0.232  -6.380  11.139
  815   HO2'    U   1          HO2'        U   1  -0.527  -4.140  11.829
  816    H1'    U   1           H1'        U   1  -0.188  -4.771   8.645
  817    H3     U   1           H3         U   1  -3.128  -7.750   6.984
  818    H5     U   1           H5         U   1  -0.495 -10.173   9.189
  819    H6     U   1           H6         U   1   0.746  -8.187   9.780
  820    H5'    U   2           H5'        U   2  -0.836  -1.011  10.863
  821   H5''    U   2          H5''        U   2   0.230  -1.170   9.453
  822    H4'    U   2           H4'        U   2   0.962   1.278  10.007
  823    H3'    U   2           H3'        U   2  -0.699   1.019  12.208
  824    H2'    U   2           H2'        U   2  -2.637   0.505  10.881
  825   HO2'    U   2          HO2'        U   2  -3.118   2.284  12.278
  826    H1'    U   2           H1'        U   2  -1.792   2.831   9.139
  827    H3     U   2           H3         U   2  -5.182   2.683   6.252
  828    H5     U   2           H5         U   2  -5.090  -1.256   7.706
  829    H6     U   2           H6         U   2  -3.212  -0.637   9.106
  830    H5'    U   3           H5'        U   3   2.582   2.258  10.393
  831   H5''    U   3          H5''        U   3   3.564   2.737  11.786
  832    H4'    U   3           H4'        U   3   4.861   3.326   9.925
  833    H3'    U   3           H3'        U   3   4.089   5.317  11.643
  834    H2'    U   3           H2'        U   3   2.268   6.126  10.387
  835   HO2'    U   3          HO2'        U   3   4.197   7.724  10.376
  836    H1'    U   3           H1'        U   3   3.761   5.811   7.793
  837    H3     U   3           H3         U   3   0.133   6.799   5.373
  838    H5     U   3           H5         U   3  -1.512   4.897   8.750
  839    H6     U   3           H6         U   3   0.734   4.615   9.608
  840    H5'    U   4           H5'        U   4   8.168   4.918   9.842
  841   H5''    U   4          H5''        U   4   9.190   5.615  11.101
  842    H4'    U   4           H4'        U   4  10.404   5.283   8.966
  843    H3'    U   4           H3'        U   4  10.677   7.486  10.568
  844    H2'    U   4           H2'        U   4   9.005   8.789   9.460
  845   HO2'    U   4          HO2'        U   4  10.955  10.000   9.407
  846    H1'    U   4           H1'        U   4  10.090   7.931   6.781
  847    H3     U   4           H3         U   4   7.167  11.189   5.488
  848    H5     U   4           H5         U   4   4.772   8.324   7.423
  849    H6     U   4           H6         U   4   6.785   7.170   8.087
  850    H5'    C   5           H5'        C   5  13.602   6.721  12.469
  851   H5''    C   5          H5''        C   5  12.220   7.718  11.975
  852    H4'    C   5           H4'        C   5  14.984   8.946  12.241
  853    H3'    C   5           H3'        C   5  14.130   7.703  14.431
  854    H2'    C   5           H2'        C   5  11.847   8.220  14.163
  855   HO2'    C   5          HO2'        C   5  11.352   9.786  15.810
  856    H1'    C   5           H1'        C   5  12.405  11.159  13.790
  857    H41    C   5           H41        C   5   7.073  10.931  10.177
  858    H42    C   5           H42        C   5   6.516   9.635  11.220
  859    H5     C   5           H5         C   5   7.864   8.721  13.037
  860    H6     C   5           H6         C   5  10.031   8.748  14.069
  Start of MODEL    3
    1    H1   ALA   2           H1       ALA   2  11.137   8.979  -6.296
    2    H2   ALA   2           H2       ALA   2  11.092   7.498  -5.558
    3    H3   ALA   2           H3       ALA   2  10.217   7.762  -6.938
    4    HA   ALA   2           HA       ALA   2   8.833   9.355  -5.830
    5    HB1  ALA   2           HB1      ALA   2   7.623   7.779  -4.379
    6    HB2  ALA   2           HB2      ALA   2   8.106   7.015  -5.908
    7    HB3  ALA   2           HB3      ALA   2   9.018   6.671  -4.419
    8    H    SER   3           H        SER   3   8.101  10.277  -3.771
    9    HA   SER   3           HA       SER   3  10.329  11.163  -2.144
   10    HB2  SER   3           HB2      SER   3   7.334  11.577  -1.851
   11    HB3  SER   3           HB3      SER   3   8.598  12.420  -0.930
   12    HG   SER   3           HG       SER   3   8.179  12.493  -3.739
   13    H    ASN   4           H        ASN   4  10.319  11.019   0.247
   14    HA   ASN   4           HA       ASN   4   9.812   8.245   1.059
   15    HB2  ASN   4           HB2      ASN   4  11.163   8.840   3.020
   16    HB3  ASN   4           HB3      ASN   4  11.987   9.262   1.510
   17   HD21  ASN   4          HD21      ASN   4  10.227  10.570   4.332
   18   HD22  ASN   4          HD22      ASN   4  10.799  12.212   4.140
   19    H    VAL   5           H        VAL   5   7.765  10.729   0.866
   20    HA   VAL   5           HA       VAL   5   6.658  10.480   3.606
   21    HB   VAL   5           HB       VAL   5   6.225  12.510   1.389
   22   HG11  VAL   5          HG11      VAL   5   5.022  12.411   4.195
   23   HG12  VAL   5          HG12      VAL   5   4.852  13.744   3.033
   24   HG13  VAL   5          HG13      VAL   5   4.124  12.172   2.674
   25   HG21  VAL   5          HG21      VAL   5   8.371  12.705   2.591
   26   HG22  VAL   5          HG22      VAL   5   7.289  14.039   3.024
   27   HG23  VAL   5          HG23      VAL   5   7.509  12.677   4.146
   28    H    THR   6           H        THR   6   4.757   9.538   4.023
   29    HA   THR   6           HA       THR   6   2.863   8.958   1.845
   30    HB   THR   6           HB       THR   6   2.695   6.570   2.516
   31    HG1  THR   6           HG1      THR   6   3.691   6.677   4.533
   32   HG21  THR   6          HG21      THR   6   5.480   7.312   1.547
   33   HG22  THR   6          HG22      THR   6   4.653   5.756   1.351
   34   HG23  THR   6          HG23      THR   6   4.013   7.198   0.532
   35    H    ASN   7           H        ASN   7   3.180  10.384   4.752
   36    HA   ASN   7           HA       ASN   7   0.616   9.215   5.732
   37    HB2  ASN   7           HB2      ASN   7   2.534   8.671   7.173
   38    HB3  ASN   7           HB3      ASN   7   2.838  10.395   7.422
   39   HD21  ASN   7          HD21      ASN   7   2.463   8.986   9.642
   40   HD22  ASN   7          HD22      ASN   7   0.883   9.293  10.336
   41    H    LYS   8           H        LYS   8  -0.910  10.524   5.113
   42    HA   LYS   8           HA       LYS   8  -1.050  13.234   6.235
   43    HB2  LYS   8           HB2      LYS   8  -1.472  12.679   3.263
   44    HB3  LYS   8           HB3      LYS   8  -1.952  14.156   4.109
   45    HG2  LYS   8           HG2      LYS   8   0.457  14.450   4.813
   46    HG3  LYS   8           HG3      LYS   8   0.874  13.103   3.728
   47    HD2  LYS   8           HD2      LYS   8  -0.516  15.682   2.893
   48    HD3  LYS   8           HD3      LYS   8   1.213  15.334   2.683
   49    HE2  LYS   8           HE2      LYS   8   0.647  13.380   1.267
   50    HE3  LYS   8           HE3      LYS   8  -1.078  13.743   1.455
   51    HZ1  LYS   8           HZ1      LYS   8   0.922  15.522   0.226
   52    HZ2  LYS   8           HZ2      LYS   8  -0.192  14.632  -0.590
   53    HZ3  LYS   8           HZ3      LYS   8  -0.674  15.865   0.387
   54    H    THR   9           H        THR   9  -3.429  13.985   6.089
   55    HA   THR   9           HA       THR   9  -5.198  11.585   6.067
   56    HB   THR   9           HB       THR   9  -6.350  12.449   8.047
   57    HG1  THR   9           HG1      THR   9  -5.844  14.630   7.873
   58   HG21  THR   9          HG21      THR   9  -3.348  12.190   8.484
   59   HG22  THR   9          HG22      THR   9  -4.625  11.910   9.689
   60   HG23  THR   9          HG23      THR   9  -4.483  10.832   8.284
   61    H    ASP  10           H        ASP  10  -4.728  13.859   4.081
   62    HA   ASP  10           HA       ASP  10  -7.115  15.424   4.057
   63    HB2  ASP  10           HB2      ASP  10  -5.292  14.570   1.781
   64    HB3  ASP  10           HB3      ASP  10  -6.496  15.865   1.694
   65    HA   PRO  11           HA       PRO  11 -10.190  12.611   2.905
   66    HB2  PRO  11           HB2      PRO  11 -11.845  14.061   1.262
   67    HB3  PRO  11           HB3      PRO  11 -11.693  14.362   3.024
   68    HG2  PRO  11           HG2      PRO  11 -10.262  15.786   0.757
   69    HG3  PRO  11           HG3      PRO  11 -11.138  16.515   2.147
   70    HD2  PRO  11           HD2      PRO  11  -8.457  16.228   2.212
   71    HD3  PRO  11           HD3      PRO  11  -9.434  15.864   3.671
   72    H    ARG  12           H        ARG  12  -7.934  13.559   0.561
   73    HA   ARG  12           HA       ARG  12  -9.014  11.493  -1.290
   74    HB2  ARG  12           HB2      ARG  12  -9.348  14.010  -1.920
   75    HB3  ARG  12           HB3      ARG  12  -7.628  13.973  -2.335
   76    HG2  ARG  12           HG2      ARG  12  -9.552  11.885  -3.395
   77    HG3  ARG  12           HG3      ARG  12  -9.467  13.482  -4.148
   78    HD2  ARG  12           HD2      ARG  12  -7.073  11.644  -3.819
   79    HD3  ARG  12           HD3      ARG  12  -8.023  11.836  -5.302
   80    HE   ARG  12           HE       ARG  12  -7.388  14.376  -4.922
   81   HH11  ARG  12          HH11      ARG  12  -5.306  11.539  -4.494
   82   HH12  ARG  12          HH12      ARG  12  -3.849  12.419  -4.877
   83   HH21  ARG  12          HH21      ARG  12  -5.452  15.486  -5.407
   84   HH22  ARG  12          HH22      ARG  12  -3.929  14.627  -5.397
   85    H    SER  13           H        SER  13  -6.219  13.150   0.170
   86    HA   SER  13           HA       SER  13  -4.275  11.691  -1.381
   87    HB2  SER  13           HB2      SER  13  -3.947  13.069   1.308
   88    HB3  SER  13           HB3      SER  13  -2.654  12.618   0.180
   89    HG   SER  13           HG       SER  13  -3.315  14.823  -0.024
   90    H    MET  14           H        MET  14  -6.057  11.000   1.656
   91    HA   MET  14           HA       MET  14  -4.247   8.752   2.143
   92    HB2  MET  14           HB2      MET  14  -5.177   8.506   4.206
   93    HB3  MET  14           HB3      MET  14  -5.258  10.254   3.950
   94    HG2  MET  14           HG2      MET  14  -7.625  10.103   3.399
   95    HG3  MET  14           HG3      MET  14  -7.570   8.342   3.469
   96    HE1  MET  14           HE1      MET  14  -7.043   6.934   5.632
   97    HE2  MET  14           HE2      MET  14  -5.646   7.899   6.141
   98    HE3  MET  14           HE3      MET  14  -6.977   7.605   7.274
   99    H    ASN  15           H        ASN  15  -6.822   9.238   0.079
  100    HA   ASN  15           HA       ASN  15  -7.591   6.364   0.141
  101    HB2  ASN  15           HB2      ASN  15  -8.821   8.792  -1.217
  102    HB3  ASN  15           HB3      ASN  15  -9.356   7.123  -1.481
  103   HD21  ASN  15          HD21      ASN  15  -9.358   9.836   0.761
  104   HD22  ASN  15          HD22      ASN  15 -10.421   9.102   1.943
  105    H    SER  16           H        SER  16  -5.764   8.781  -1.615
  106    HA   SER  16           HA       SER  16  -5.292   7.040  -3.916
  107    HB2  SER  16           HB2      SER  16  -3.882   9.590  -3.057
  108    HB3  SER  16           HB3      SER  16  -3.834   8.820  -4.666
  109    HG   SER  16           HG       SER  16  -6.153   9.813  -3.363
  110    H    ARG  17           H        ARG  17  -4.586   6.414  -0.942
  111    HA   ARG  17           HA       ARG  17  -1.678   5.803  -1.269
  112    HB2  ARG  17           HB2      ARG  17  -2.429   7.386   0.521
  113    HB3  ARG  17           HB3      ARG  17  -3.356   6.054   1.236
  114    HG2  ARG  17           HG2      ARG  17  -1.259   4.745   1.530
  115    HG3  ARG  17           HG3      ARG  17  -0.338   6.099   0.817
  116    HD2  ARG  17           HD2      ARG  17  -2.011   6.160   3.350
  117    HD3  ARG  17           HD3      ARG  17  -0.241   6.242   3.257
  118    HE   ARG  17           HE       ARG  17  -0.812   8.348   1.755
  119   HH11  ARG  17          HH11      ARG  17  -2.319   7.408   4.828
  120   HH12  ARG  17          HH12      ARG  17  -2.885   9.032   5.145
  121   HH21  ARG  17          HH21      ARG  17  -1.578  10.400   2.195
  122   HH22  ARG  17          HH22      ARG  17  -2.470  10.712   3.673
  123    H    VAL  18           H        VAL  18  -0.971   3.715  -0.489
  124    HA   VAL  18           HA       VAL  18  -3.146   1.714  -0.134
  125    HB   VAL  18           HB       VAL  18  -0.677   1.428  -1.882
  126   HG11  VAL  18          HG11      VAL  18  -2.901  -0.531  -1.174
  127   HG12  VAL  18          HG12      VAL  18  -1.677  -0.788  -2.440
  128   HG13  VAL  18          HG13      VAL  18  -1.183  -0.678  -0.738
  129   HG21  VAL  18          HG21      VAL  18  -2.407   2.745  -2.973
  130   HG22  VAL  18          HG22      VAL  18  -2.447   1.097  -3.650
  131   HG23  VAL  18          HG23      VAL  18  -3.662   1.583  -2.455
  132    H    PHE  19           H        PHE  19  -2.920   0.457   1.563
  133    HA   PHE  19           HA       PHE  19  -0.431   0.515   3.141
  134    HB2  PHE  19           HB2      PHE  19  -2.577   0.813   4.288
  135    HB3  PHE  19           HB3      PHE  19  -3.185  -0.693   3.596
  136    HD1  PHE  19           HD1      PHE  19   0.038   0.193   5.317
  137    HD2  PHE  19           HD2      PHE  19  -3.488  -2.271   5.278
  138    HE1  PHE  19           HE1      PHE  19   0.882  -1.052   7.288
  139    HE2  PHE  19           HE2      PHE  19  -2.637  -3.516   7.233
  140    HZ   PHE  19           HZ       PHE  19  -0.454  -2.915   8.247
  141    H    ILE  20           H        ILE  20   0.995  -1.158   3.220
  142    HA   ILE  20           HA       ILE  20   0.260  -3.686   1.815
  143    HB   ILE  20           HB       ILE  20   2.934  -2.246   1.913
  144   HG12  ILE  20          HG12      ILE  20   1.266  -2.838  -0.553
  145   HG13  ILE  20          HG11      ILE  20   1.080  -1.334   0.364
  146   HG21  ILE  20          HG21      ILE  20   3.203  -4.717   1.926
  147   HG22  ILE  20          HG22      ILE  20   2.142  -4.847   0.513
  148   HG23  ILE  20          HG23      ILE  20   3.717  -4.044   0.373
  149   HD11  ILE  20          HD11      ILE  20   3.465  -0.815   0.048
  150   HD12  ILE  20          HD12      ILE  20   3.679  -2.315  -0.889
  151   HD13  ILE  20          HD13      ILE  20   2.625  -1.024  -1.509
  152    H    GLY  21           H        GLY  21  -0.494  -4.467   3.809
  153    HA2  GLY  21           HA2      GLY  21   1.358  -4.693   6.065
  154    HA3  GLY  21           HA3      GLY  21  -0.292  -5.325   5.976
  155    H    ASN  22           H        ASN  22   1.466  -6.980   7.093
  156    HA   ASN  22           HA       ASN  22   2.544  -8.962   6.993
  157    HB2  ASN  22           HB2      ASN  22   0.170  -9.545   6.350
  158    HB3  ASN  22           HB3      ASN  22   0.681  -9.509   4.658
  159   HD21  ASN  22          HD21      ASN  22   0.050 -11.770   4.531
  160   HD22  ASN  22          HD22      ASN  22   1.149 -13.008   5.114
  161    H    LEU  23           H        LEU  23   4.085  -7.036   5.822
  162    HA   LEU  23           HA       LEU  23   5.110  -8.210   3.298
  163    HB2  LEU  23           HB2      LEU  23   4.583  -5.798   3.366
  164    HB3  LEU  23           HB3      LEU  23   5.696  -5.587   4.719
  165    HG   LEU  23           HG       LEU  23   7.593  -6.245   3.285
  166   HD11  LEU  23          HD11      LEU  23   5.510  -6.364   1.066
  167   HD12  LEU  23          HD12      LEU  23   7.272  -6.403   0.837
  168   HD13  LEU  23          HD13      LEU  23   6.466  -7.737   1.690
  169   HD21  LEU  23          HD21      LEU  23   6.866  -3.883   3.473
  170   HD22  LEU  23          HD22      LEU  23   7.596  -4.232   1.892
  171   HD23  LEU  23          HD23      LEU  23   5.822  -4.104   2.046
  172    H    ASN  24           H        ASN  24   7.259  -8.981   3.113
  173    HA   ASN  24           HA       ASN  24   8.262 -10.187   5.510
  174    HB2  ASN  24           HB2      ASN  24   8.482 -11.057   3.113
  175    HB3  ASN  24           HB3      ASN  24   9.693  -9.805   2.853
  176   HD21  ASN  24          HD21      ASN  24  11.579 -10.979   2.691
  177   HD22  ASN  24          HD22      ASN  24  12.165 -12.063   3.938
  178    H    THR  25           H        THR  25   9.144  -7.333   3.651
  179    HA   THR  25           HA       THR  25  10.579  -5.655   3.886
  180    HB   THR  25           HB       THR  25  10.646  -4.529   6.026
  181    HG1  THR  25           HG1      THR  25  10.868  -6.369   7.374
  182   HG21  THR  25          HG21      THR  25   8.617  -4.425   4.625
  183   HG22  THR  25          HG22      THR  25   7.962  -5.856   5.469
  184   HG23  THR  25          HG23      THR  25   8.207  -4.338   6.352
  185    H    LEU  26           H        LEU  26  11.721  -8.588   4.628
  186    HA   LEU  26           HA       LEU  26  14.378  -7.639   5.555
  187    HB2  LEU  26           HB2      LEU  26  12.874 -10.211   5.507
  188    HB3  LEU  26           HB3      LEU  26  14.619 -10.327   5.233
  189    HG   LEU  26           HG       LEU  26  15.085  -9.121   7.314
  190   HD11  LEU  26          HD11      LEU  26  12.075  -9.239   7.789
  191   HD12  LEU  26          HD12      LEU  26  13.299  -8.703   8.959
  192   HD13  LEU  26          HD13      LEU  26  13.012  -7.755   7.491
  193   HD21  LEU  26          HD21      LEU  26  14.920 -11.579   7.309
  194   HD22  LEU  26          HD22      LEU  26  14.370 -10.904   8.859
  195   HD23  LEU  26          HD23      LEU  26  13.184 -11.476   7.658
  196    H    VAL  27           H        VAL  27  12.683  -8.422   2.647
  197    HA   VAL  27           HA       VAL  27  15.290  -8.487   1.180
  198    HB   VAL  27           HB       VAL  27  12.737 -10.013   0.550
  199   HG11  VAL  27          HG11      VAL  27  15.436  -9.938  -0.874
  200   HG12  VAL  27          HG12      VAL  27  14.125 -11.091  -1.218
  201   HG13  VAL  27          HG13      VAL  27  13.882  -9.363  -1.520
  202   HG21  VAL  27          HG21      VAL  27  14.012 -10.993   2.430
  203   HG22  VAL  27          HG22      VAL  27  14.140 -12.011   0.982
  204   HG23  VAL  27          HG23      VAL  27  15.494 -10.959   1.449
  205    H    VAL  28           H        VAL  28  12.100  -7.116   1.562
  206    HA   VAL  28           HA       VAL  28  12.496  -5.534  -0.932
  207    HB   VAL  28           HB       VAL  28   9.990  -5.945   0.727
  208   HG11  VAL  28          HG11      VAL  28   8.857  -4.865  -1.201
  209   HG12  VAL  28          HG12      VAL  28  10.005  -3.761  -0.425
  210   HG13  VAL  28          HG13      VAL  28  10.442  -4.569  -1.954
  211   HG21  VAL  28          HG21      VAL  28  10.880  -7.047  -1.976
  212   HG22  VAL  28          HG22      VAL  28  10.627  -7.990  -0.483
  213   HG23  VAL  28          HG23      VAL  28   9.249  -7.226  -1.302
  214    H    LYS  29           H        LYS  29  12.589  -3.328  -0.883
  215    HA   LYS  29           HA       LYS  29  12.487  -1.957   1.762
  216    HB2  LYS  29           HB2      LYS  29  14.731  -1.800  -0.298
  217    HB3  LYS  29           HB3      LYS  29  14.477  -0.626   0.994
  218    HG2  LYS  29           HG2      LYS  29  16.044  -1.981   1.963
  219    HG3  LYS  29           HG3      LYS  29  14.549  -2.682   2.598
  220    HD2  LYS  29           HD2      LYS  29  14.683  -4.468   0.849
  221    HD3  LYS  29           HD3      LYS  29  16.140  -3.699   0.195
  222    HE2  LYS  29           HE2      LYS  29  16.729  -5.593   1.640
  223    HE3  LYS  29           HE3      LYS  29  17.312  -4.073   2.332
  224    HZ1  LYS  29           HZ1      LYS  29  15.428  -4.080   3.809
  225    HZ2  LYS  29           HZ2      LYS  29  14.841  -5.462   3.141
  226    HZ3  LYS  29           HZ3      LYS  29  16.264  -5.481   3.969
  227    H    LYS  30           H        LYS  30  12.639   0.490   1.361
  228    HA   LYS  30           HA       LYS  30  10.422   1.250  -0.291
  229    HB2  LYS  30           HB2      LYS  30  11.000   3.531   0.481
  230    HB3  LYS  30           HB3      LYS  30  10.870   2.342   1.785
  231    HG2  LYS  30           HG2      LYS  30  13.540   2.144   1.274
  232    HG3  LYS  30           HG3      LYS  30  13.269   3.833   0.807
  233    HD2  LYS  30           HD2      LYS  30  12.478   2.524   3.444
  234    HD3  LYS  30           HD3      LYS  30  13.884   3.574   3.206
  235    HE2  LYS  30           HE2      LYS  30  12.400   5.451   2.589
  236    HE3  LYS  30           HE3      LYS  30  10.983   4.411   2.775
  237    HZ1  LYS  30           HZ1      LYS  30  11.352   5.742   4.728
  238    HZ2  LYS  30           HZ2      LYS  30  11.554   4.156   5.097
  239    HZ3  LYS  30           HZ3      LYS  30  12.864   5.132   4.925
  240    H    SER  31           H        SER  31  13.561   0.541  -1.166
  241    HA   SER  31           HA       SER  31  13.522   2.352  -3.516
  242    HB2  SER  31           HB2      SER  31  15.639   0.390  -2.555
  243    HB3  SER  31           HB3      SER  31  15.810   1.541  -3.899
  244    HG   SER  31           HG       SER  31  16.684   2.352  -1.953
  245    H    ASP  32           H        ASP  32  12.143  -0.541  -2.667
  246    HA   ASP  32           HA       ASP  32  12.409  -1.721  -5.396
  247    HB2  ASP  32           HB2      ASP  32  11.964  -2.928  -2.644
  248    HB3  ASP  32           HB3      ASP  32  11.734  -3.828  -4.137
  249    H    VAL  33           H        VAL  33  10.217  -0.749  -2.729
  250    HA   VAL  33           HA       VAL  33   7.813  -1.774  -3.875
  251    HB   VAL  33           HB       VAL  33   8.366   0.585  -2.033
  252   HG11  VAL  33          HG11      VAL  33   5.730  -0.820  -2.636
  253   HG12  VAL  33          HG12      VAL  33   5.996   0.432  -1.400
  254   HG13  VAL  33          HG13      VAL  33   6.152   0.839  -3.122
  255   HG21  VAL  33          HG21      VAL  33   9.022  -1.635  -1.128
  256   HG22  VAL  33          HG22      VAL  33   7.592  -1.004  -0.286
  257   HG23  VAL  33          HG23      VAL  33   7.409  -2.269  -1.522
  258    H    GLU  34           H        GLU  34   9.727   1.163  -4.478
  259    HA   GLU  34           HA       GLU  34   7.670   2.352  -6.140
  260    HB2  GLU  34           HB2      GLU  34   9.307   4.072  -6.617
  261    HB3  GLU  34           HB3      GLU  34   9.219   3.748  -4.876
  262    HG2  GLU  34           HG2      GLU  34  11.262   2.369  -5.018
  263    HG3  GLU  34           HG3      GLU  34  11.328   2.639  -6.768
  264    H    ALA  35           H        ALA  35   9.328  -0.376  -6.694
  265    HA   ALA  35           HA       ALA  35   9.440   0.144  -9.624
  266    HB1  ALA  35           HB1      ALA  35  11.274  -1.645  -7.980
  267    HB2  ALA  35           HB2      ALA  35  11.312  -1.442  -9.744
  268    HB3  ALA  35           HB3      ALA  35  11.713  -0.070  -8.690
  269    H    ILE  36           H        ILE  36   7.965  -1.540  -7.086
  270    HA   ILE  36           HA       ILE  36   7.139  -3.758  -8.904
  271    HB   ILE  36           HB       ILE  36   7.096  -3.505  -5.871
  272   HG12  ILE  36          HG12      ILE  36   8.705  -5.420  -7.605
  273   HG13  ILE  36          HG11      ILE  36   9.333  -3.850  -7.094
  274   HG21  ILE  36          HG21      ILE  36   5.183  -4.839  -6.657
  275   HG22  ILE  36          HG22      ILE  36   6.262  -5.821  -7.677
  276   HG23  ILE  36          HG23      ILE  36   6.381  -5.890  -5.902
  277   HD11  ILE  36          HD11      ILE  36   8.988  -4.471  -4.717
  278   HD12  ILE  36          HD12      ILE  36   8.430  -6.082  -5.234
  279   HD13  ILE  36          HD13      ILE  36  10.099  -5.571  -5.554
  280    H    PHE  37           H        PHE  37   6.014  -1.006  -6.979
  281    HA   PHE  37           HA       PHE  37   3.202  -1.704  -7.635
  282    HB2  PHE  37           HB2      PHE  37   4.463   0.188  -5.628
  283    HB3  PHE  37           HB3      PHE  37   2.740   0.168  -5.996
  284    HD1  PHE  37           HD1      PHE  37   5.516  -1.984  -4.735
  285    HD2  PHE  37           HD2      PHE  37   1.272  -1.370  -5.014
  286    HE1  PHE  37           HE1      PHE  37   5.144  -3.845  -3.129
  287    HE2  PHE  37           HE2      PHE  37   0.897  -3.223  -3.403
  288    HZ   PHE  37           HZ       PHE  37   2.835  -4.454  -2.454
  289    H    SER  38           H        SER  38   5.795   0.139  -8.835
  290    HA   SER  38           HA       SER  38   4.358   2.507  -9.642
  291    HB2  SER  38           HB2      SER  38   6.368   2.868 -11.059
  292    HB3  SER  38           HB3      SER  38   6.775   2.504  -9.366
  293    HG   SER  38           HG       SER  38   8.022   1.295 -10.880
  294    H    LYS  39           H        LYS  39   4.407  -0.719 -10.795
  295    HA   LYS  39           HA       LYS  39   3.773  -0.072 -13.569
  296    HB2  LYS  39           HB2      LYS  39   3.638  -2.490 -13.836
  297    HB3  LYS  39           HB3      LYS  39   5.087  -2.042 -12.910
  298    HG2  LYS  39           HG2      LYS  39   3.616  -2.416 -10.799
  299    HG3  LYS  39           HG3      LYS  39   2.501  -3.264 -11.892
  300    HD2  LYS  39           HD2      LYS  39   5.451  -3.885 -11.484
  301    HD3  LYS  39           HD3      LYS  39   4.119  -4.801 -10.770
  302    HE2  LYS  39           HE2      LYS  39   4.617  -4.471 -13.758
  303    HE3  LYS  39           HE3      LYS  39   5.067  -5.889 -12.804
  304    HZ1  LYS  39           HZ1      LYS  39   2.974  -6.220 -13.904
  305    HZ2  LYS  39           HZ2      LYS  39   2.747  -6.205 -12.275
  306    HZ3  LYS  39           HZ3      LYS  39   2.318  -4.900 -13.176
  307    H    TYR  40           H        TYR  40   1.985  -0.113 -10.661
  308    HA   TYR  40           HA       TYR  40  -0.561  -0.613 -12.139
  309    HB2  TYR  40           HB2      TYR  40  -0.028  -0.555  -9.154
  310    HB3  TYR  40           HB3      TYR  40  -1.565  -0.919  -9.945
  311    HD1  TYR  40           HD1      TYR  40  -1.720  -2.961 -11.454
  312    HD2  TYR  40           HD2      TYR  40   1.612  -2.233  -8.840
  313    HE1  TYR  40           HE1      TYR  40  -1.031  -5.338 -11.682
  314    HE2  TYR  40           HE2      TYR  40   2.325  -4.588  -9.076
  315    HH   TYR  40           HH       TYR  40   0.508  -6.934 -11.103
  316    H    GLY  41           H        GLY  41   1.407   1.876 -10.765
  317    HA2  GLY  41           HA2      GLY  41  -0.280   3.874 -11.877
  318    HA3  GLY  41           HA3      GLY  41  -0.531   3.823 -10.121
  319    H    LYS  42           H        LYS  42   0.499   6.081 -11.455
  320    HA   LYS  42           HA       LYS  42   3.380   6.169 -11.241
  321    HB2  LYS  42           HB2      LYS  42   2.246   7.641 -12.770
  322    HB3  LYS  42           HB3      LYS  42   1.176   8.248 -11.494
  323    HG2  LYS  42           HG2      LYS  42   3.050   9.329 -10.361
  324    HG3  LYS  42           HG3      LYS  42   4.197   8.656 -11.544
  325    HD2  LYS  42           HD2      LYS  42   3.219   9.944 -13.339
  326    HD3  LYS  42           HD3      LYS  42   1.847  10.436 -12.315
  327    HE2  LYS  42           HE2      LYS  42   3.370  11.649 -10.823
  328    HE3  LYS  42           HE3      LYS  42   4.764  11.136 -11.788
  329    HZ1  LYS  42           HZ1      LYS  42   2.547  12.815 -12.765
  330    HZ2  LYS  42           HZ2      LYS  42   4.049  13.356 -12.362
  331    HZ3  LYS  42           HZ3      LYS  42   3.857  12.351 -13.643
  332    H    ILE  43           H        ILE  43   4.409   6.017  -9.349
  333    HA   ILE  43           HA       ILE  43   3.025   6.635  -6.852
  334    HB   ILE  43           HB       ILE  43   5.803   5.558  -7.465
  335   HG12  ILE  43          HG12      ILE  43   3.238   4.276  -6.413
  336   HG13  ILE  43          HG11      ILE  43   3.871   4.099  -8.058
  337   HG21  ILE  43          HG21      ILE  43   5.731   6.775  -5.284
  338   HG22  ILE  43          HG22      ILE  43   4.354   5.750  -4.793
  339   HG23  ILE  43          HG23      ILE  43   5.959   5.034  -5.079
  340   HD11  ILE  43          HD11      ILE  43   5.915   3.021  -7.154
  341   HD12  ILE  43          HD12      ILE  43   5.234   3.126  -5.508
  342   HD13  ILE  43          HD13      ILE  43   4.433   2.133  -6.731
  343    H    VAL  44           H        VAL  44   3.207   8.421  -5.676
  344    HA   VAL  44           HA       VAL  44   5.193  10.474  -6.536
  345    HB   VAL  44           HB       VAL  44   3.656  12.121  -5.558
  346   HG11  VAL  44          HG11      VAL  44   2.267  10.231  -7.501
  347   HG12  VAL  44          HG12      VAL  44   1.890  11.948  -7.241
  348   HG13  VAL  44          HG13      VAL  44   3.451  11.486  -7.948
  349   HG21  VAL  44          HG21      VAL  44   1.396  11.463  -4.850
  350   HG22  VAL  44          HG22      VAL  44   1.790   9.752  -5.098
  351   HG23  VAL  44          HG23      VAL  44   2.614  10.684  -3.822
  352    H    GLY  45           H        GLY  45   4.508   8.204  -4.124
  353    HA2  GLY  45           HA2      GLY  45   6.723   9.077  -2.514
  354    HA3  GLY  45           HA3      GLY  45   5.176   9.369  -1.695
  355    H    CYS  46           H        CYS  46   7.399   7.402  -1.110
  356    HA   CYS  46           HA       CYS  46   5.635   5.097  -0.702
  357    HB2  CYS  46           HB2      CYS  46   7.151   3.502  -1.742
  358    HB3  CYS  46           HB3      CYS  46   6.694   4.722  -2.947
  359    HG   CYS  46           HG       CYS  46   9.393   4.668  -1.035
  360    H    SER  47           H        SER  47   6.416   3.694   0.983
  361    HA   SER  47           HA       SER  47   9.003   4.260   2.200
  362    HB2  SER  47           HB2      SER  47   7.515   6.046   3.139
  363    HB3  SER  47           HB3      SER  47   6.472   4.769   3.811
  364    HG   SER  47           HG       SER  47   8.079   5.500   5.305
  365    H    VAL  48           H        VAL  48   9.639   2.665   3.674
  366    HA   VAL  48           HA       VAL  48   7.796   0.347   3.973
  367    HB   VAL  48           HB       VAL  48  10.753   0.269   3.278
  368   HG11  VAL  48          HG11      VAL  48   8.824  -1.997   3.953
  369   HG12  VAL  48          HG12      VAL  48  10.455  -2.202   3.277
  370   HG13  VAL  48          HG13      VAL  48  10.256  -1.515   4.896
  371   HG21  VAL  48          HG21      VAL  48   8.233  -0.699   1.858
  372   HG22  VAL  48          HG22      VAL  48   9.250   0.675   1.366
  373   HG23  VAL  48          HG23      VAL  48   9.888  -0.984   1.299
  374    H    HIS  49           H        HIS  49   7.962  -0.787   5.863
  375    HA   HIS  49           HA       HIS  49   9.550   0.419   8.069
  376    HB2  HIS  49           HB2      HIS  49   6.606  -0.359   8.128
  377    HB3  HIS  49           HB3      HIS  49   7.536   0.343   9.461
  378    HD2  HIS  49           HD2      HIS  49   6.128   1.305   5.955
  379    HE1  HIS  49           HE1      HIS  49   6.785   4.919   8.087
  380    HE2  HIS  49           HE2      HIS  49   5.845   3.906   5.953
  381    H    LYS  50           H        LYS  50   8.568  -1.362  10.075
  382    HA   LYS  50           HA       LYS  50   9.583  -3.938   9.028
  383    HB2  LYS  50           HB2      LYS  50   9.020  -2.951  11.834
  384    HB3  LYS  50           HB3      LYS  50   9.492  -4.621  11.430
  385    HG2  LYS  50           HG2      LYS  50  11.534  -3.765  10.291
  386    HG3  LYS  50           HG3      LYS  50  11.075  -2.111  10.739
  387    HD2  LYS  50           HD2      LYS  50  12.733  -2.960  12.296
  388    HD3  LYS  50           HD3      LYS  50  11.170  -2.746  13.130
  389    HE2  LYS  50           HE2      LYS  50  10.722  -5.166  12.907
  390    HE3  LYS  50           HE3      LYS  50  12.259  -5.373  12.041
  391    HZ1  LYS  50           HZ1      LYS  50  11.982  -4.426  14.815
  392    HZ2  LYS  50           HZ2      LYS  50  12.454  -5.934  14.364
  393    HZ3  LYS  50           HZ3      LYS  50  13.401  -4.637  14.011
  394    H    GLY  51           H        GLY  51   8.293  -5.419   8.306
  395    HA2  GLY  51           HA2      GLY  51   6.526  -6.907   8.229
  396    HA3  GLY  51           HA3      GLY  51   5.802  -6.098   9.628
  397    H    PHE  52           H        PHE  52   6.237  -3.495   7.688
  398    HA   PHE  52           HA       PHE  52   4.086  -4.045   5.770
  399    HB2  PHE  52           HB2      PHE  52   2.652  -2.247   6.538
  400    HB3  PHE  52           HB3      PHE  52   2.812  -3.456   7.797
  401    HD1  PHE  52           HD1      PHE  52   4.239  -2.996   9.817
  402    HD2  PHE  52           HD2      PHE  52   3.394   0.002   6.850
  403    HE1  PHE  52           HE1      PHE  52   4.937  -1.225  11.405
  404    HE2  PHE  52           HE2      PHE  52   4.088   1.768   8.441
  405    HZ   PHE  52           HZ       PHE  52   4.867   1.155  10.722
  406    H    ALA  53           H        ALA  53   3.563  -2.055   4.478
  407    HA   ALA  53           HA       ALA  53   5.638   0.025   4.363
  408    HB1  ALA  53           HB1      ALA  53   5.046  -1.878   2.064
  409    HB2  ALA  53           HB2      ALA  53   6.004  -0.387   1.939
  410    HB3  ALA  53           HB3      ALA  53   6.578  -1.723   2.962
  411    H    PHE  54           H        PHE  54   5.028   1.602   2.529
  412    HA   PHE  54           HA       PHE  54   2.106   1.771   2.087
  413    HB2  PHE  54           HB2      PHE  54   3.840   3.691   3.629
  414    HB3  PHE  54           HB3      PHE  54   2.525   4.320   2.633
  415    HD1  PHE  54           HD1      PHE  54   0.187   3.463   2.969
  416    HD2  PHE  54           HD2      PHE  54   3.348   2.776   5.804
  417    HE1  PHE  54           HE1      PHE  54  -1.499   2.994   4.738
  418    HE2  PHE  54           HE2      PHE  54   1.668   2.284   7.555
  419    HZ   PHE  54           HZ       PHE  54  -0.754   2.400   7.021
  420    H    VAL  55           H        VAL  55   1.496   2.963   0.309
  421    HA   VAL  55           HA       VAL  55   3.612   4.143  -1.411
  422    HB   VAL  55           HB       VAL  55   1.493   2.139  -2.300
  423   HG11  VAL  55          HG11      VAL  55   3.510   3.772  -3.897
  424   HG12  VAL  55          HG12      VAL  55   2.546   2.428  -4.545
  425   HG13  VAL  55          HG13      VAL  55   1.733   3.900  -3.988
  426   HG21  VAL  55          HG21      VAL  55   3.485   1.104  -1.282
  427   HG22  VAL  55          HG22      VAL  55   3.479   0.839  -3.041
  428   HG23  VAL  55          HG23      VAL  55   4.533   2.092  -2.326
  429    H    GLN  56           H        GLN  56   2.909   5.866  -2.657
  430    HA   GLN  56           HA       GLN  56   0.116   6.780  -2.177
  431    HB2  GLN  56           HB2      GLN  56   1.840   7.963  -0.772
  432    HB3  GLN  56           HB3      GLN  56   2.680   8.429  -2.259
  433    HG2  GLN  56           HG2      GLN  56   1.376  10.311  -1.601
  434    HG3  GLN  56           HG3      GLN  56   0.556   9.599  -2.996
  435   HE21  GLN  56          HE21      GLN  56  -1.605   9.624  -2.762
  436   HE22  GLN  56          HE22      GLN  56  -2.461   9.372  -1.243
  437    H    TYR  57           H        TYR  57  -0.963   7.397  -3.979
  438    HA   TYR  57           HA       TYR  57   0.544   7.483  -6.550
  439    HB2  TYR  57           HB2      TYR  57  -2.286   6.572  -5.920
  440    HB3  TYR  57           HB3      TYR  57  -1.621   6.782  -7.548
  441    HD1  TYR  57           HD1      TYR  57   0.782   5.593  -7.860
  442    HD2  TYR  57           HD2      TYR  57  -2.351   4.329  -5.175
  443    HE1  TYR  57           HE1      TYR  57   1.708   3.289  -7.850
  444    HE2  TYR  57           HE2      TYR  57  -1.389   2.053  -5.142
  445    HH   TYR  57           HH       TYR  57   0.273   0.687  -5.872
  446    H    VAL  58           H        VAL  58  -0.870   8.653  -8.272
  447    HA   VAL  58           HA       VAL  58  -1.134  11.392  -7.425
  448    HB   VAL  58           HB       VAL  58  -1.797   9.931 -10.014
  449   HG11  VAL  58          HG11      VAL  58  -1.814  12.194 -11.056
  450   HG12  VAL  58          HG12      VAL  58  -3.146  11.987  -9.910
  451   HG13  VAL  58          HG13      VAL  58  -1.712  12.929  -9.441
  452   HG21  VAL  58          HG21      VAL  58   0.518  11.734  -9.206
  453   HG22  VAL  58          HG22      VAL  58   0.597   9.968  -9.415
  454   HG23  VAL  58          HG23      VAL  58   0.270  11.015 -10.812
  455    H    ASN  59           H        ASN  59  -3.400   8.682  -7.885
  456    HA   ASN  59           HA       ASN  59  -5.412  10.218  -6.466
  457    HB2  ASN  59           HB2      ASN  59  -7.028  10.442  -8.060
  458    HB3  ASN  59           HB3      ASN  59  -5.565  10.807  -9.003
  459   HD21  ASN  59          HD21      ASN  59  -4.574   8.542  -9.940
  460   HD22  ASN  59          HD22      ASN  59  -5.776   7.588 -10.770
  461    H    GLU  60           H        GLU  60  -7.462   8.894  -6.164
  462    HA   GLU  60           HA       GLU  60  -6.855   6.447  -4.944
  463    HB2  GLU  60           HB2      GLU  60  -8.756   7.880  -4.404
  464    HB3  GLU  60           HB3      GLU  60  -9.483   7.553  -5.986
  465    HG2  GLU  60           HG2      GLU  60  -9.650   5.140  -5.402
  466    HG3  GLU  60           HG3      GLU  60  -8.919   5.470  -3.825
  467    H    ARG  61           H        ARG  61  -7.854   7.054  -8.349
  468    HA   ARG  61           HA       ARG  61  -8.706   4.412  -8.942
  469    HB2  ARG  61           HB2      ARG  61  -9.102   6.200 -10.500
  470    HB3  ARG  61           HB3      ARG  61  -7.375   6.578 -10.599
  471    HG2  ARG  61           HG2      ARG  61  -8.227   5.396 -12.602
  472    HG3  ARG  61           HG3      ARG  61  -6.898   4.549 -11.800
  473    HD2  ARG  61           HD2      ARG  61  -8.427   2.993 -10.754
  474    HD3  ARG  61           HD3      ARG  61  -9.836   3.899 -11.361
  475    HE   ARG  61           HE       ARG  61  -8.277   3.192 -13.597
  476   HH11  ARG  61          HH11      ARG  61 -10.120   1.560 -11.059
  477   HH12  ARG  61          HH12      ARG  61 -10.484   0.167 -12.053
  478   HH21  ARG  61          HH21      ARG  61  -8.784   1.365 -14.878
  479   HH22  ARG  61          HH22      ARG  61  -9.738   0.063 -14.211
  480    H    ASN  62           H        ASN  62  -5.434   5.877  -8.869
  481    HA   ASN  62           HA       ASN  62  -4.163   3.506  -9.935
  482    HB2  ASN  62           HB2      ASN  62  -3.242   6.005  -8.496
  483    HB3  ASN  62           HB3      ASN  62  -2.104   4.702  -8.939
  484   HD21  ASN  62          HD21      ASN  62  -2.761   3.885 -11.376
  485   HD22  ASN  62          HD22      ASN  62  -2.757   5.197 -12.537
  486    H    ALA  63           H        ALA  63  -5.233   4.486  -6.737
  487    HA   ALA  63           HA       ALA  63  -3.597   2.528  -5.335
  488    HB1  ALA  63           HB1      ALA  63  -6.093   4.049  -4.467
  489    HB2  ALA  63           HB2      ALA  63  -4.994   3.147  -3.400
  490    HB3  ALA  63           HB3      ALA  63  -4.416   4.598  -4.243
  491    H    ARG  64           H        ARG  64  -6.893   2.645  -6.685
  492    HA   ARG  64           HA       ARG  64  -7.740   0.107  -5.592
  493    HB2  ARG  64           HB2      ARG  64  -8.635   1.594  -8.106
  494    HB3  ARG  64           HB3      ARG  64  -9.490   0.233  -7.366
  495    HG2  ARG  64           HG2      ARG  64  -8.990   2.913  -6.005
  496    HG3  ARG  64           HG3      ARG  64 -10.490   2.441  -6.823
  497    HD2  ARG  64           HD2      ARG  64 -10.742   0.554  -5.225
  498    HD3  ARG  64           HD3      ARG  64  -9.269   1.088  -4.388
  499    HE   ARG  64           HE       ARG  64 -11.035   3.306  -4.588
  500   HH11  ARG  64          HH11      ARG  64 -10.837   0.197  -2.897
  501   HH12  ARG  64          HH12      ARG  64 -11.792   0.774  -1.544
  502   HH21  ARG  64          HH21      ARG  64 -12.262   3.981  -2.870
  503   HH22  ARG  64          HH22      ARG  64 -12.601   2.909  -1.521
  504    H    ALA  65           H        ALA  65  -5.738   1.036  -8.345
  505    HA   ALA  65           HA       ALA  65  -6.044  -1.540  -9.679
  506    HB1  ALA  65           HB1      ALA  65  -4.089   0.753 -10.108
  507    HB2  ALA  65           HB2      ALA  65  -4.370  -0.610 -11.218
  508    HB3  ALA  65           HB3      ALA  65  -5.663   0.568 -10.912
  509    H    ALA  66           H        ALA  66  -3.726  -0.039  -7.398
  510    HA   ALA  66           HA       ALA  66  -1.859  -2.261  -7.662
  511    HB1  ALA  66           HB1      ALA  66  -2.079  -0.010  -5.632
  512    HB2  ALA  66           HB2      ALA  66  -0.683  -1.099  -5.859
  513    HB3  ALA  66           HB3      ALA  66  -1.156   0.027  -7.156
  514    H    VAL  67           H        VAL  67  -4.465  -1.297  -5.393
  515    HA   VAL  67           HA       VAL  67  -4.021  -3.375  -3.478
  516    HB   VAL  67           HB       VAL  67  -6.457  -1.780  -4.335
  517   HG11  VAL  67          HG11      VAL  67  -7.320  -3.876  -3.421
  518   HG12  VAL  67          HG12      VAL  67  -6.201  -3.784  -2.048
  519   HG13  VAL  67          HG13      VAL  67  -7.516  -2.594  -2.214
  520   HG21  VAL  67          HG21      VAL  67  -4.765  -1.745  -1.801
  521   HG22  VAL  67          HG22      VAL  67  -4.559  -0.614  -3.155
  522   HG23  VAL  67          HG23      VAL  67  -6.070  -0.604  -2.223
  523    H    ALA  68           H        ALA  68  -5.724  -3.293  -6.620
  524    HA   ALA  68           HA       ALA  68  -6.612  -6.075  -6.208
  525    HB1  ALA  68           HB1      ALA  68  -7.001  -4.160  -8.543
  526    HB2  ALA  68           HB2      ALA  68  -7.785  -5.747  -8.347
  527    HB3  ALA  68           HB3      ALA  68  -8.150  -4.430  -7.215
  528    H    GLY  69           H        GLY  69  -3.794  -4.533  -7.341
  529    HA2  GLY  69           HA2      GLY  69  -3.222  -6.659  -9.335
  530    HA3  GLY  69           HA3      GLY  69  -2.387  -5.111  -9.157
  531    H    GLU  70           H        GLU  70  -2.480  -5.894  -6.028
  532    HA   GLU  70           HA       GLU  70  -0.046  -7.646  -6.136
  533    HB2  GLU  70           HB2      GLU  70  -0.382  -4.914  -4.877
  534    HB3  GLU  70           HB3      GLU  70   0.879  -6.046  -4.362
  535    HG2  GLU  70           HG2      GLU  70   0.558  -5.219  -7.263
  536    HG3  GLU  70           HG3      GLU  70   1.555  -4.321  -6.114
  537    H    ASP  71           H        ASP  71  -3.015  -6.724  -4.432
  538    HA   ASP  71           HA       ASP  71  -2.314  -7.832  -1.903
  539    HB2  ASP  71           HB2      ASP  71  -4.306  -6.435  -2.272
  540    HB3  ASP  71           HB3      ASP  71  -4.991  -7.678  -3.336
  541    H    GLY  72           H        GLY  72  -1.649  -9.857  -1.469
  542    HA2  GLY  72           HA2      GLY  72  -1.927 -12.176  -1.304
  543    HA3  GLY  72           HA3      GLY  72  -3.164 -12.128  -2.574
  544    H    ARG  73           H        ARG  73  -0.427 -10.292  -3.466
  545    HA   ARG  73           HA       ARG  73   0.574 -12.341  -5.280
  546    HB2  ARG  73           HB2      ARG  73   1.979 -10.677  -6.134
  547    HB3  ARG  73           HB3      ARG  73   0.489  -9.838  -5.725
  548    HG2  ARG  73           HG2      ARG  73   1.827  -8.382  -4.594
  549    HG3  ARG  73           HG3      ARG  73   1.924  -9.642  -3.355
  550    HD2  ARG  73           HD2      ARG  73   4.170  -8.950  -3.933
  551    HD3  ARG  73           HD3      ARG  73   3.939 -10.567  -4.625
  552    HE   ARG  73           HE       ARG  73   3.410  -8.169  -6.297
  553   HH11  ARG  73          HH11      ARG  73   5.467 -11.019  -5.719
  554   HH12  ARG  73          HH12      ARG  73   6.226 -10.890  -7.280
  555   HH21  ARG  73          HH21      ARG  73   4.411  -8.057  -8.277
  556   HH22  ARG  73          HH22      ARG  73   5.650  -9.213  -8.725
  557    H    MET  74           H        MET  74   3.087 -12.767  -5.142
  558    HA   MET  74           HA       MET  74   3.656 -13.355  -2.267
  559    HB2  MET  74           HB2      MET  74   3.102 -15.303  -3.707
  560    HB3  MET  74           HB3      MET  74   4.522 -14.943  -4.708
  561    HG2  MET  74           HG2      MET  74   6.023 -15.405  -2.941
  562    HG3  MET  74           HG3      MET  74   4.772 -15.236  -1.704
  563    HE1  MET  74           HE1      MET  74   3.124 -16.965  -0.953
  564    HE2  MET  74           HE2      MET  74   2.354 -16.857  -2.546
  565    HE3  MET  74           HE3      MET  74   2.722 -18.451  -1.846
  566    H    ILE  75           H        ILE  75   5.294 -12.309  -1.426
  567    HA   ILE  75           HA       ILE  75   7.544 -11.533  -3.206
  568    HB   ILE  75           HB       ILE  75   5.664  -9.810  -1.818
  569   HG12  ILE  75          HG12      ILE  75   8.038  -9.344  -3.659
  570   HG13  ILE  75          HG11      ILE  75   6.371  -9.706  -4.155
  571   HG21  ILE  75          HG21      ILE  75   8.599  -9.389  -1.131
  572   HG22  ILE  75          HG22      ILE  75   7.259  -8.259  -0.792
  573   HG23  ILE  75          HG23      ILE  75   7.300  -9.827   0.010
  574   HD11  ILE  75          HD11      ILE  75   5.608  -7.582  -3.117
  575   HD12  ILE  75          HD12      ILE  75   7.286  -7.214  -2.646
  576   HD13  ILE  75          HD13      ILE  75   6.842  -7.310  -4.361
  577    H    ALA  76           H        ALA  76   9.547 -11.819  -2.402
  578    HA   ALA  76           HA       ALA  76  11.112 -12.921  -1.216
  579    HB1  ALA  76           HB1      ALA  76   9.620 -11.860   1.194
  580    HB2  ALA  76           HB2      ALA  76  11.326 -12.351   1.124
  581    HB3  ALA  76           HB3      ALA  76  10.771 -10.917   0.215
  582    H    GLY  77           H        GLY  77   8.393 -14.289  -1.748
  583    HA2  GLY  77           HA2      GLY  77   7.908 -16.563  -1.594
  584    HA3  GLY  77           HA3      GLY  77   9.031 -16.713  -0.223
  585    H    GLN  78           H        GLN  78   7.064 -14.002   0.339
  586    HA   GLN  78           HA       GLN  78   5.063 -15.615   1.838
  587    HB2  GLN  78           HB2      GLN  78   6.747 -14.860   3.364
  588    HB3  GLN  78           HB3      GLN  78   6.752 -13.244   2.663
  589    HG2  GLN  78           HG2      GLN  78   4.067 -13.859   3.559
  590    HG3  GLN  78           HG3      GLN  78   5.222 -14.197   4.863
  591   HE21  GLN  78          HE21      GLN  78   4.944 -11.734   2.228
  592   HE22  GLN  78          HE22      GLN  78   5.145 -10.353   3.287
  593    H    VAL  79           H        VAL  79   3.001 -15.056   1.575
  594    HA   VAL  79           HA       VAL  79   2.162 -13.309  -0.524
  595    HB   VAL  79           HB       VAL  79   0.604 -14.492   1.809
  596   HG11  VAL  79          HG11      VAL  79  -0.263 -13.487  -0.929
  597   HG12  VAL  79          HG12      VAL  79  -1.314 -14.327   0.236
  598   HG13  VAL  79          HG13      VAL  79  -0.650 -12.734   0.644
  599   HG21  VAL  79          HG21      VAL  79   1.163 -15.574  -0.984
  600   HG22  VAL  79          HG22      VAL  79   1.760 -16.255   0.556
  601   HG23  VAL  79          HG23      VAL  79   0.029 -16.283   0.184
  602    H    LEU  80           H        LEU  80   1.372 -11.256  -0.539
  603    HA   LEU  80           HA       LEU  80   1.752  -9.678   1.943
  604    HB2  LEU  80           HB2      LEU  80   1.111  -8.702  -0.864
  605    HB3  LEU  80           HB3      LEU  80   1.592  -7.731   0.534
  606    HG   LEU  80           HG       LEU  80   3.302  -9.754  -0.967
  607   HD11  LEU  80          HD11      LEU  80   3.431  -6.744  -0.515
  608   HD12  LEU  80          HD12      LEU  80   4.703  -7.707  -1.292
  609   HD13  LEU  80          HD13      LEU  80   3.091  -7.588  -2.051
  610   HD21  LEU  80          HD21      LEU  80   3.792  -9.938   1.431
  611   HD22  LEU  80          HD22      LEU  80   5.106  -9.092   0.602
  612   HD23  LEU  80          HD23      LEU  80   3.907  -8.163   1.553
  613    H    ASP  81           H        ASP  81   0.160  -8.155   2.662
  614    HA   ASP  81           HA       ASP  81  -2.628  -8.806   1.827
  615    HB2  ASP  81           HB2      ASP  81  -2.065  -9.682   4.113
  616    HB3  ASP  81           HB3      ASP  81  -1.675  -8.030   4.608
  617    H    ILE  82           H        ILE  82  -3.101  -7.115   0.499
  618    HA   ILE  82           HA       ILE  82  -2.144  -4.401   1.289
  619    HB   ILE  82           HB       ILE  82  -2.412  -5.726  -1.405
  620   HG12  ILE  82          HG12      ILE  82  -0.011  -4.420  -0.074
  621   HG13  ILE  82          HG11      ILE  82  -0.407  -6.115   0.245
  622   HG21  ILE  82          HG21      ILE  82  -1.670  -2.849  -0.720
  623   HG22  ILE  82          HG22      ILE  82  -1.595  -3.582  -2.337
  624   HG23  ILE  82          HG23      ILE  82  -3.163  -3.362  -1.541
  625   HD11  ILE  82          HD11      ILE  82   0.067  -4.976  -2.524
  626   HD12  ILE  82          HD12      ILE  82   1.248  -5.902  -1.559
  627   HD13  ILE  82          HD13      ILE  82  -0.261  -6.676  -2.095
  628    H    ASN  83           H        ASN  83  -3.597  -2.731   1.291
  629    HA   ASN  83           HA       ASN  83  -6.160  -2.892  -0.077
  630    HB2  ASN  83           HB2      ASN  83  -7.510  -2.601   1.978
  631    HB3  ASN  83           HB3      ASN  83  -6.728  -4.183   1.911
  632   HD21  ASN  83          HD21      ASN  83  -6.542  -0.926   3.417
  633   HD22  ASN  83          HD22      ASN  83  -5.658  -1.457   4.822
  634    H    LEU  84           H        LEU  84  -7.427  -0.807   0.290
  635    HA   LEU  84           HA       LEU  84  -5.776   1.451  -0.028
  636    HB2  LEU  84           HB2      LEU  84  -8.430   0.883  -0.391
  637    HB3  LEU  84           HB3      LEU  84  -8.517   1.785   1.126
  638    HG   LEU  84           HG       LEU  84  -7.047   3.553  -0.061
  639   HD11  LEU  84          HD11      LEU  84  -6.361   2.130  -1.956
  640   HD12  LEU  84          HD12      LEU  84  -8.058   1.937  -2.443
  641   HD13  LEU  84          HD13      LEU  84  -7.279   3.536  -2.545
  642   HD21  LEU  84          HD21      LEU  84  -9.882   2.980  -1.027
  643   HD22  LEU  84          HD22      LEU  84  -9.437   3.892   0.433
  644   HD23  LEU  84          HD23      LEU  84  -9.045   4.546  -1.172
  645    H    ALA  85           H        ALA  85  -5.038   3.037   1.412
  646    HA   ALA  85           HA       ALA  85  -4.614   2.211   4.112
  647    HB1  ALA  85           HB1      ALA  85  -4.264   4.941   2.833
  648    HB2  ALA  85           HB2      ALA  85  -3.523   4.398   4.350
  649    HB3  ALA  85           HB3      ALA  85  -3.057   3.624   2.812
  650    H    ALA  86           H        ALA  86  -7.470   3.347   2.809
  651    HA   ALA  86           HA       ALA  86  -8.286   4.479   5.437
  652    HB1  ALA  86           HB1      ALA  86  -9.745   6.045   4.227
  653    HB2  ALA  86           HB2      ALA  86  -8.046   6.257   3.747
  654    HB3  ALA  86           HB3      ALA  86  -9.173   5.391   2.675
  655    H    GLU  87           H        GLU  87  -8.540   1.798   3.639
  656    HA   GLU  87           HA       GLU  87 -11.305   1.286   4.583
  657    HB2  GLU  87           HB2      GLU  87 -10.281   0.671   1.784
  658    HB3  GLU  87           HB3      GLU  87 -11.795   0.071   2.485
  659    HG2  GLU  87           HG2      GLU  87 -12.550   2.427   2.808
  660    HG3  GLU  87           HG3      GLU  87 -11.068   2.987   2.011
  661    HA   PRO  88           HA       PRO  88  -8.244  -2.095   5.663
  662    HB2  PRO  88           HB2      PRO  88  -8.866  -2.184   8.341
  663    HB3  PRO  88           HB3      PRO  88  -7.593  -1.129   7.665
  664    HG2  PRO  88           HG2      PRO  88 -10.466  -0.397   8.318
  665    HG3  PRO  88           HG3      PRO  88  -8.968   0.502   8.743
  666    HD2  PRO  88           HD2      PRO  88 -10.482   1.203   6.597
  667    HD3  PRO  88           HD3      PRO  88  -8.697   1.261   6.514
  668    H    LYS  89           H        LYS  89  -8.910  -4.128   5.635
  669    HA   LYS  89           HA       LYS  89 -11.814  -4.541   5.381
  670    HB2  LYS  89           HB2      LYS  89 -11.032  -6.748   4.349
  671    HB3  LYS  89           HB3      LYS  89 -10.806  -5.235   3.461
  672    HG2  LYS  89           HG2      LYS  89  -8.452  -5.107   4.201
  673    HG3  LYS  89           HG3      LYS  89  -8.637  -6.635   5.078
  674    HD2  LYS  89           HD2      LYS  89  -9.142  -7.787   2.936
  675    HD3  LYS  89           HD3      LYS  89  -8.984  -6.227   2.073
  676    HE2  LYS  89           HE2      LYS  89  -6.695  -5.986   2.973
  677    HE3  LYS  89           HE3      LYS  89  -6.858  -7.528   3.815
  678    HZ1  LYS  89           HZ1      LYS  89  -5.690  -7.861   1.795
  679    HZ2  LYS  89           HZ2      LYS  89  -7.152  -8.576   1.635
  680    HZ3  LYS  89           HZ3      LYS  89  -6.860  -7.136   0.891
  681    H    VAL  90           H        VAL  90  -9.915  -7.290   6.066
  682    HA   VAL  90           HA       VAL  90 -10.736  -7.385   8.921
  683    HB   VAL  90           HB       VAL  90 -11.565  -9.731   8.472
  684   HG11  VAL  90          HG11      VAL  90 -13.184  -7.469   7.203
  685   HG12  VAL  90          HG12      VAL  90 -13.831  -8.986   7.852
  686   HG13  VAL  90          HG13      VAL  90 -13.085  -7.808   8.950
  687   HG21  VAL  90          HG21      VAL  90 -10.668 -10.026   6.201
  688   HG22  VAL  90          HG22      VAL  90 -12.425 -10.262   6.238
  689   HG23  VAL  90          HG23      VAL  90 -11.756  -8.749   5.598
  690    H    ASN  91           H        ASN  91  -8.621  -8.298   6.331
  691    HA   ASN  91           HA       ASN  91  -7.348 -10.465   7.807
  692    HB2  ASN  91           HB2      ASN  91  -6.843  -9.165   5.112
  693    HB3  ASN  91           HB3      ASN  91  -5.772 -10.398   5.793
  694   HD21  ASN  91          HD21      ASN  91  -8.986  -9.797   4.430
  695   HD22  ASN  91          HD22      ASN  91  -9.414 -11.485   4.262
  696    H    ARG  92           H        ARG  92  -7.104  -7.154   8.285
  697    HA   ARG  92           HA       ARG  92  -4.230  -6.940   8.473
  698    HB2  ARG  92           HB2      ARG  92  -5.646  -4.946   8.297
  699    HB3  ARG  92           HB3      ARG  92  -6.362  -5.305   9.885
  700    HG2  ARG  92           HG2      ARG  92  -4.100  -5.216  10.919
  701    HG3  ARG  92           HG3      ARG  92  -3.390  -4.852   9.334
  702    HD2  ARG  92           HD2      ARG  92  -4.441  -2.708   9.273
  703    HD3  ARG  92           HD3      ARG  92  -5.519  -3.135  10.638
  704    HE   ARG  92           HE       ARG  92  -2.617  -3.140  11.158
  705   HH11  ARG  92          HH11      ARG  92  -5.663  -1.351  11.354
  706   HH12  ARG  92          HH12      ARG  92  -5.108  -0.320  12.652
  707   HH21  ARG  92          HH21      ARG  92  -1.928  -1.794  12.843
  708   HH22  ARG  92          HH22      ARG  92  -2.987  -0.557  13.488
  709    H    GLY  93           H        GLY  93  -3.639  -8.893   9.487
  710    HA2  GLY  93           HA2      GLY  93  -4.256  -9.147  12.385
  711    HA3  GLY  93           HA3      GLY  93  -3.617 -10.422  11.318
  712    H    LYS  94           H        LYS  94  -1.638 -10.857  12.253
  713    HA   LYS  94           HA       LYS  94   0.368  -8.676  12.152
  714    HB2  LYS  94           HB2      LYS  94  -0.327 -10.386  14.557
  715    HB3  LYS  94           HB3      LYS  94   1.184  -9.470  14.440
  716    HG2  LYS  94           HG2      LYS  94  -1.595  -8.227  14.288
  717    HG3  LYS  94           HG3      LYS  94  -0.608  -8.299  15.748
  718    HD2  LYS  94           HD2      LYS  94   1.157  -6.971  14.688
  719    HD3  LYS  94           HD3      LYS  94   0.269  -6.931  13.158
  720    HE2  LYS  94           HE2      LYS  94  -0.742  -5.775  15.782
  721    HE3  LYS  94           HE3      LYS  94   0.001  -4.849  14.462
  722    HZ1  LYS  94           HZ1      LYS  94  -2.498  -6.390  14.286
  723    HZ2  LYS  94           HZ2      LYS  94  -2.356  -4.750  14.290
  724    HZ3  LYS  94           HZ3      LYS  94  -1.769  -5.625  13.027
  725    H    ALA  95           H        ALA  95  -0.465 -11.767  11.252
  726    HA   ALA  95           HA       ALA  95   2.357 -12.466  10.787
  727    HB1  ALA  95           HB1      ALA  95   2.110 -14.675  11.839
  728    HB2  ALA  95           HB2      ALA  95   1.828 -13.385  13.032
  729    HB3  ALA  95           HB3      ALA  95   0.452 -14.268  12.341
  730    H    GLY  96           H        GLY  96   2.604 -14.254   9.282
  731    HA2  GLY  96           HA2      GLY  96   0.624 -14.188   7.163
  732    HA3  GLY  96           HA3      GLY  96   2.141 -15.106   7.196
  733    H    VAL  97           H        VAL  97   0.963 -16.097  10.015
  734    HA   VAL  97           HA       VAL  97  -0.933 -18.070   8.857
  735    HB   VAL  97           HB       VAL  97   1.225 -19.094   9.390
  736   HG11  VAL  97          HG11      VAL  97   0.663 -18.296  12.278
  737   HG12  VAL  97          HG12      VAL  97   1.999 -19.310  11.699
  738   HG13  VAL  97          HG13      VAL  97   1.932 -17.595  11.244
  739   HG21  VAL  97          HG21      VAL  97  -0.988 -19.899  11.326
  740   HG22  VAL  97          HG22      VAL  97  -0.888 -20.378   9.617
  741   HG23  VAL  97          HG23      VAL  97   0.345 -20.929  10.775
  742    H    LYS  98           H        LYS  98  -2.824 -18.332   9.861
  743    HA   LYS  98           HA       LYS  98  -3.331 -16.783  12.353
  744    HB2  LYS  98           HB2      LYS  98  -5.025 -16.884   9.830
  745    HB3  LYS  98           HB3      LYS  98  -5.487 -16.067  11.339
  746    HG2  LYS  98           HG2      LYS  98  -3.653 -14.508  11.161
  747    HG3  LYS  98           HG3      LYS  98  -2.916 -15.421   9.833
  748    HD2  LYS  98           HD2      LYS  98  -4.870 -14.968   8.409
  749    HD3  LYS  98           HD3      LYS  98  -5.572 -13.958   9.704
  750    HE2  LYS  98           HE2      LYS  98  -3.568 -12.507   9.660
  751    HE3  LYS  98           HE3      LYS  98  -2.834 -13.527   8.424
  752    HZ1  LYS  98           HZ1      LYS  98  -4.643 -12.933   6.948
  753    HZ2  LYS  98           HZ2      LYS  98  -5.328 -11.996   8.118
  754    HZ3  LYS  98           HZ3      LYS  98  -3.869 -11.582   7.484
  755    H    ARG  99           H        ARG  99  -2.730 -19.605  11.915
  756    HA   ARG  99           HA       ARG  99  -5.238 -20.808  12.979
  757    HB2  ARG  99           HB2      ARG  99  -4.528 -21.375  10.520
  758    HB3  ARG  99           HB3      ARG  99  -3.231 -22.312  11.272
  759    HG2  ARG  99           HG2      ARG  99  -5.095 -23.767  10.754
  760    HG3  ARG  99           HG3      ARG  99  -4.992 -23.629  12.515
  761    HD2  ARG  99           HD2      ARG  99  -6.795 -21.944  12.500
  762    HD3  ARG  99           HD3      ARG  99  -6.848 -22.009  10.729
  763    HE   ARG  99           HE       ARG  99  -7.213 -24.641  11.746
  764   HH11  ARG  99          HH11      ARG  99  -8.902 -21.535  11.627
  765   HH12  ARG  99          HH12      ARG  99 -10.489 -22.264  11.676
  766   HH21  ARG  99          HH21      ARG  99  -9.305 -25.564  11.817
  767   HH22  ARG  99          HH22      ARG  99 -10.717 -24.531  11.791
  768    H    SER 100           H        SER 100  -4.562 -23.052  14.054
  769    HA   SER 100           HA       SER 100  -2.963 -22.410  16.303
  770    HB2  SER 100           HB2      SER 100  -4.041 -25.015  15.168
  771    HB3  SER 100           HB3      SER 100  -3.242 -24.897  16.744
  772    HG   SER 100           HG       SER 100  -5.533 -24.675  16.877
  773    H    ALA 101           H        ALA 101  -1.980 -23.393  13.157
  774    HA   ALA 101           HA       ALA 101  -0.117 -24.264  12.260
  775    HB1  ALA 101           HB1      ALA 101   1.252 -23.027  14.672
  776    HB2  ALA 101           HB2      ALA 101   2.015 -23.457  13.125
  777    HB3  ALA 101           HB3      ALA 101   0.790 -22.174  13.182
  778    H    ALA 102           H        ALA 102  -1.603 -25.864  14.425
  779    HA   ALA 102           HA       ALA 102   0.326 -28.083  14.500
  780    HB1  ALA 102           HB1      ALA 102  -0.940 -26.913  17.006
  781    HB2  ALA 102           HB2      ALA 102   0.054 -28.391  16.921
  782    HB3  ALA 102           HB3      ALA 102   0.781 -26.808  16.557
  783    H    GLU 103           H        GLU 103  -2.627 -27.047  13.694
  784    HA   GLU 103           HA       GLU 103  -4.448 -28.819  14.968
  785    HB2  GLU 103           HB2      GLU 103  -5.980 -28.095  13.198
  786    HB3  GLU 103           HB3      GLU 103  -5.138 -26.721  13.924
  787    HG2  GLU 103           HG2      GLU 103  -4.288 -28.077  11.336
  788    HG3  GLU 103           HG3      GLU 103  -5.342 -26.649  11.410
  789    H    MET 104           H        MET 104  -2.026 -29.576  12.728
  790    HA   MET 104           HA       MET 104  -3.533 -31.951  11.749
  791    HB2  MET 104           HB2      MET 104  -1.061 -30.545  10.673
  792    HB3  MET 104           HB3      MET 104  -1.693 -32.074  10.035
  793    HG2  MET 104           HG2      MET 104  -3.854 -31.012   9.537
  794    HG3  MET 104           HG3      MET 104  -3.264 -29.479  10.184
  795    HE1  MET 104           HE1      MET 104  -0.343 -29.164   9.130
  796    HE2  MET 104           HE2      MET 104  -0.661 -28.265   7.624
  797    HE3  MET 104           HE3      MET 104  -1.608 -27.916   9.093
  798    H    TYR 105           H        TYR 105  -1.810 -31.243  14.355
  799    HA   TYR 105           HA       TYR 105  -0.437 -33.881  14.364
  800    HB2  TYR 105           HB2      TYR 105   0.689 -31.335  15.569
  801    HB3  TYR 105           HB3      TYR 105   1.481 -32.906  15.473
  802    HD1  TYR 105           HD1      TYR 105   0.436 -29.914  13.602
  803    HD2  TYR 105           HD2      TYR 105   2.493 -33.678  13.371
  804    HE1  TYR 105           HE1      TYR 105   1.426 -29.222  11.442
  805    HE2  TYR 105           HE2      TYR 105   3.484 -33.006  11.193
  806    HH   TYR 105           HH       TYR 105   3.642 -31.365   9.604
  807    H    GLY 106           H        GLY 106  -2.854 -32.072  15.706
  808    HA2  GLY 106           HA2      GLY 106  -3.343 -33.785  17.871
  809    HA3  GLY 106           HA3      GLY 106  -2.459 -32.390  18.514
  810    H5'    U   1           H5'        U   1   3.464  -6.926   9.631
  811   H5''    U   1          H5''        U   1   3.765  -5.912  11.062
  812    H4'    U   1           H4'        U   1   2.779  -4.458   9.524
  813    H3'    U   1           H3'        U   1   1.451  -4.908  11.876
  814    H2'    U   1           H2'        U   1  -0.135  -6.453  11.043
  815   HO2'    U   1          HO2'        U   1  -1.128  -4.211  11.558
  816    H1'    U   1           H1'        U   1  -0.442  -4.924   8.475
  817    H3     U   1           H3         U   1  -3.010  -8.217   6.758
  818    H5     U   1           H5         U   1  -0.340 -10.316   9.230
  819    H6     U   1           H6         U   1   0.684  -8.202   9.816
  820    H5'    U   2           H5'        U   2   1.226  -0.624   9.589
  821   H5''    U   2          H5''        U   2   1.593   0.096  11.164
  822    H4'    U   2           H4'        U   2   0.815   1.861   9.785
  823    H3'    U   2           H3'        U   2  -0.692   1.089  12.134
  824    H2'    U   2           H2'        U   2  -2.615   0.596  10.884
  825   HO2'    U   2          HO2'        U   2  -3.128   2.503  12.127
  826    H1'    U   2           H1'        U   2  -1.704   2.766   8.984
  827    H3     U   2           H3         U   2  -5.178   2.546   6.172
  828    H5     U   2           H5         U   2  -5.060  -1.339   7.753
  829    H6     U   2           H6         U   2  -3.153  -0.672   9.104
  830    H5'    U   3           H5'        U   3   2.620   2.272  10.555
  831   H5''    U   3          H5''        U   3   3.522   2.915  11.938
  832    H4'    U   3           H4'        U   3   4.857   3.357  10.026
  833    H3'    U   3           H3'        U   3   4.056   5.427  11.648
  834    H2'    U   3           H2'        U   3   2.260   6.178  10.299
  835   HO2'    U   3          HO2'        U   3   4.283   7.721  10.238
  836    H1'    U   3           H1'        U   3   3.862   5.725   7.783
  837    H3     U   3           H3         U   3   0.378   6.683   5.156
  838    H5     U   3           H5         U   3  -1.472   4.973   8.530
  839    H6     U   3           H6         U   3   0.731   4.679   9.504
  840    H5'    U   4           H5'        U   4   8.065   4.911   9.817
  841   H5''    U   4          H5''        U   4   9.192   5.659  10.956
  842    H4'    U   4           H4'        U   4  10.156   5.143   8.694
  843    H3'    U   4           H3'        U   4  10.778   7.291  10.274
  844    H2'    U   4           H2'        U   4   9.104   8.737   9.338
  845   HO2'    U   4          HO2'        U   4  10.289  10.132   7.867
  846    H1'    U   4           H1'        U   4   9.912   7.821   6.577
  847    H3     U   4           H3         U   4   7.163  11.354   5.561
  848    H5     U   4           H5         U   4   4.659   8.479   7.322
  849    H6     U   4           H6         U   4   6.632   7.217   7.939
  850    H5'    C   5           H5'        C   5  13.087   6.462  11.767
  851   H5''    C   5          H5''        C   5  12.680   8.010  10.995
  852    H4'    C   5           H4'        C   5  15.495   7.243  11.894
  853    H3'    C   5           H3'        C   5  13.604   7.599  13.744
  854    H2'    C   5           H2'        C   5  12.504   9.401  12.651
  855   HO2'    C   5          HO2'        C   5  12.961  10.063  14.809
  856    H1'    C   5           H1'        C   5  15.085  10.895  12.254
  857    H41    C   5           H41        C   5  11.679  13.196   7.225
  858    H42    C   5           H42        C   5  10.381  13.379   8.392
  859    H5     C   5           H5         C   5  10.512  12.518  10.663
  860    H6     C   5           H6         C   5  11.885  11.305  12.234
  Start of MODEL    4
    1    H1   ALA   2           H1       ALA   2  11.673   8.776  -5.879
    2    H2   ALA   2           H2       ALA   2  11.063   7.410  -5.172
    3    H3   ALA   2           H3       ALA   2  10.610   7.818  -6.711
    4    HA   ALA   2           HA       ALA   2   9.523   9.791  -5.931
    5    HB1  ALA   2           HB1      ALA   2   8.227   7.699  -6.164
    6    HB2  ALA   2           HB2      ALA   2   8.629   7.260  -4.491
    7    HB3  ALA   2           HB3      ALA   2   7.626   8.696  -4.825
    8    H    SER   3           H        SER   3   8.379  10.681  -3.896
    9    HA   SER   3           HA       SER   3  10.402  11.487  -2.034
   10    HB2  SER   3           HB2      SER   3   7.381  11.780  -1.924
   11    HB3  SER   3           HB3      SER   3   8.560  12.663  -0.926
   12    HG   SER   3           HG       SER   3   7.906  13.838  -2.786
   13    H    ASN   4           H        ASN   4  10.325  11.244   0.305
   14    HA   ASN   4           HA       ASN   4   9.781   8.447   1.027
   15    HB2  ASN   4           HB2      ASN   4  11.116   8.978   3.031
   16    HB3  ASN   4           HB3      ASN   4  11.968   9.368   1.532
   17   HD21  ASN   4          HD21      ASN   4  10.264  10.752   4.345
   18   HD22  ASN   4          HD22      ASN   4  10.886  12.373   4.140
   19    H    VAL   5           H        VAL   5   7.786  10.971   0.878
   20    HA   VAL   5           HA       VAL   5   6.670  10.696   3.610
   21    HB   VAL   5           HB       VAL   5   6.192  12.722   1.398
   22   HG11  VAL   5          HG11      VAL   5   4.128  12.384   2.743
   23   HG12  VAL   5          HG12      VAL   5   5.069  12.645   4.235
   24   HG13  VAL   5          HG13      VAL   5   4.866  13.963   3.063
   25   HG21  VAL   5          HG21      VAL   5   7.282  14.264   3.019
   26   HG22  VAL   5          HG22      VAL   5   7.556  12.901   4.124
   27   HG23  VAL   5          HG23      VAL   5   8.367  12.942   2.544
   28    H    THR   6           H        THR   6   4.760   9.762   4.024
   29    HA   THR   6           HA       THR   6   2.884   9.161   1.832
   30    HB   THR   6           HB       THR   6   2.725   6.777   2.525
   31    HG1  THR   6           HG1      THR   6   3.646   6.897   4.561
   32   HG21  THR   6          HG21      THR   6   4.711   5.967   1.414
   33   HG22  THR   6          HG22      THR   6   4.112   7.416   0.574
   34   HG23  THR   6          HG23      THR   6   5.539   7.522   1.650
   35    H    ASN   7           H        ASN   7   3.201  10.572   4.759
   36    HA   ASN   7           HA       ASN   7   0.642   9.390   5.741
   37    HB2  ASN   7           HB2      ASN   7   2.591   9.035   7.214
   38    HB3  ASN   7           HB3      ASN   7   2.776  10.791   7.374
   39   HD21  ASN   7          HD21      ASN   7   2.461   9.362   9.645
   40   HD22  ASN   7          HD22      ASN   7   0.869   9.636  10.323
   41    H    LYS   8           H        LYS   8  -0.875  10.606   4.823
   42    HA   LYS   8           HA       LYS   8  -1.166  13.369   5.814
   43    HB2  LYS   8           HB2      LYS   8  -1.369  12.574   2.882
   44    HB3  LYS   8           HB3      LYS   8  -2.015  14.081   3.566
   45    HG2  LYS   8           HG2      LYS   8   0.303  14.596   4.437
   46    HG3  LYS   8           HG3      LYS   8   0.901  13.205   3.512
   47    HD2  LYS   8           HD2      LYS   8  -0.577  15.602   2.357
   48    HD3  LYS   8           HD3      LYS   8   1.186  15.364   2.314
   49    HE2  LYS   8           HE2      LYS   8   0.878  13.294   1.002
   50    HE3  LYS   8           HE3      LYS   8  -0.877  13.520   1.045
   51    HZ1  LYS   8           HZ1      LYS   8   0.070  14.344  -0.995
   52    HZ2  LYS   8           HZ2      LYS   8  -0.581  15.587  -0.136
   53    HZ3  LYS   8           HZ3      LYS   8   1.048  15.378  -0.178
   54    H    THR   9           H        THR   9  -3.369  13.927   6.105
   55    HA   THR   9           HA       THR   9  -5.155  11.544   6.041
   56    HB   THR   9           HB       THR   9  -6.250  12.515   8.029
   57    HG1  THR   9           HG1      THR   9  -5.689  14.677   7.747
   58   HG21  THR   9          HG21      THR   9  -3.230  12.183   8.322
   59   HG22  THR   9          HG22      THR   9  -4.443  12.019   9.610
   60   HG23  THR   9          HG23      THR   9  -4.414  10.857   8.265
   61    H    ASP  10           H        ASP  10  -4.757  13.995   4.091
   62    HA   ASP  10           HA       ASP  10  -7.259  15.373   4.135
   63    HB2  ASP  10           HB2      ASP  10  -5.302  14.840   1.868
   64    HB3  ASP  10           HB3      ASP  10  -6.642  15.984   1.783
   65    HA   PRO  11           HA       PRO  11 -10.060  12.396   2.684
   66    HB2  PRO  11           HB2      PRO  11 -11.879  13.860   1.243
   67    HB3  PRO  11           HB3      PRO  11 -11.681  14.003   3.021
   68    HG2  PRO  11           HG2      PRO  11 -10.423  15.734   0.867
   69    HG3  PRO  11           HG3      PRO  11 -11.342  16.268   2.319
   70    HD2  PRO  11           HD2      PRO  11  -8.642  16.198   2.328
   71    HD3  PRO  11           HD3      PRO  11  -9.560  15.650   3.768
   72    H    ARG  12           H        ARG  12  -7.850  13.716   0.549
   73    HA   ARG  12           HA       ARG  12  -8.731  11.813  -1.578
   74    HB2  ARG  12           HB2      ARG  12  -8.689  14.577  -1.826
   75    HB3  ARG  12           HB3      ARG  12  -7.118  14.104  -2.499
   76    HG2  ARG  12           HG2      ARG  12  -9.830  12.968  -3.294
   77    HG3  ARG  12           HG3      ARG  12  -8.937  14.206  -4.193
   78    HD2  ARG  12           HD2      ARG  12  -7.055  12.565  -4.490
   79    HD3  ARG  12           HD3      ARG  12  -8.053  11.334  -3.690
   80    HE   ARG  12           HE       ARG  12  -9.415  11.173  -5.573
   81   HH11  ARG  12          HH11      ARG  12  -7.132  13.851  -5.960
   82   HH12  ARG  12          HH12      ARG  12  -7.467  14.038  -7.664
   83   HH21  ARG  12          HH21      ARG  12  -9.840  11.460  -7.799
   84   HH22  ARG  12          HH22      ARG  12  -9.002  12.708  -8.691
   85    H    SER  13           H        SER  13  -6.181  13.122   0.437
   86    HA   SER  13           HA       SER  13  -4.053  11.795  -1.074
   87    HB2  SER  13           HB2      SER  13  -4.002  13.174   1.632
   88    HB3  SER  13           HB3      SER  13  -2.592  12.658   0.685
   89    HG   SER  13           HG       SER  13  -3.296  14.070  -0.978
   90    H    MET  14           H        MET  14  -6.158  11.027   1.716
   91    HA   MET  14           HA       MET  14  -4.399   8.744   2.318
   92    HB2  MET  14           HB2      MET  14  -5.457   8.495   4.297
   93    HB3  MET  14           HB3      MET  14  -5.588  10.243   4.061
   94    HG2  MET  14           HG2      MET  14  -7.903  10.016   3.339
   95    HG3  MET  14           HG3      MET  14  -7.785   8.248   3.372
   96    HE1  MET  14           HE1      MET  14  -7.344   6.812   5.513
   97    HE2  MET  14           HE2      MET  14  -6.046   7.826   6.171
   98    HE3  MET  14           HE3      MET  14  -7.444   7.431   7.183
   99    H    ASN  15           H        ASN  15  -6.842   9.401   0.123
  100    HA   ASN  15           HA       ASN  15  -7.764   6.586   0.080
  101    HB2  ASN  15           HB2      ASN  15  -8.817   9.115  -1.216
  102    HB3  ASN  15           HB3      ASN  15  -9.426   7.493  -1.594
  103   HD21  ASN  15          HD21      ASN  15  -9.975  10.170   0.362
  104   HD22  ASN  15          HD22      ASN  15 -10.828   9.374   1.665
  105    H    SER  16           H        SER  16  -5.645   8.833  -1.550
  106    HA   SER  16           HA       SER  16  -5.253   6.983  -3.809
  107    HB2  SER  16           HB2      SER  16  -3.647   8.711  -4.589
  108    HB3  SER  16           HB3      SER  16  -5.307   9.317  -4.364
  109    HG   SER  16           HG       SER  16  -4.708  10.406  -2.617
  110    H    ARG  17           H        ARG  17  -4.475   6.649  -0.751
  111    HA   ARG  17           HA       ARG  17  -1.636   5.843  -1.204
  112    HB2  ARG  17           HB2      ARG  17  -2.071   7.451   0.619
  113    HB3  ARG  17           HB3      ARG  17  -3.157   6.266   1.387
  114    HG2  ARG  17           HG2      ARG  17  -1.392   4.746   1.817
  115    HG3  ARG  17           HG3      ARG  17  -0.300   5.554   0.664
  116    HD2  ARG  17           HD2      ARG  17   0.335   6.020   2.982
  117    HD3  ARG  17           HD3      ARG  17  -0.087   7.474   2.078
  118    HE   ARG  17           HE       ARG  17  -1.753   6.161   4.191
  119   HH11  ARG  17          HH11      ARG  17  -1.109   8.961   2.111
  120   HH12  ARG  17          HH12      ARG  17  -2.184  10.007   3.015
  121   HH21  ARG  17          HH21      ARG  17  -3.046   7.573   5.378
  122   HH22  ARG  17          HH22      ARG  17  -3.265   9.233   4.863
  123    H    VAL  18           H        VAL  18  -0.958   3.766  -0.538
  124    HA   VAL  18           HA       VAL  18  -3.147   1.785  -0.104
  125    HB   VAL  18           HB       VAL  18  -0.670   1.481  -1.843
  126   HG11  VAL  18          HG11      VAL  18  -1.186  -0.615  -0.700
  127   HG12  VAL  18          HG12      VAL  18  -2.910  -0.448  -1.110
  128   HG13  VAL  18          HG13      VAL  18  -1.700  -0.724  -2.392
  129   HG21  VAL  18          HG21      VAL  18  -3.656   1.642  -2.424
  130   HG22  VAL  18          HG22      VAL  18  -2.402   2.810  -2.929
  131   HG23  VAL  18          HG23      VAL  18  -2.434   1.161  -3.613
  132    H    PHE  19           H        PHE  19  -2.926   0.556   1.600
  133    HA   PHE  19           HA       PHE  19  -0.436   0.588   3.173
  134    HB2  PHE  19           HB2      PHE  19  -2.616   0.866   4.291
  135    HB3  PHE  19           HB3      PHE  19  -3.169  -0.674   3.628
  136    HD1  PHE  19           HD1      PHE  19  -0.036   0.441   5.376
  137    HD2  PHE  19           HD2      PHE  19  -3.355  -2.294   5.316
  138    HE1  PHE  19           HE1      PHE  19   0.888  -0.734   7.362
  139    HE2  PHE  19           HE2      PHE  19  -2.434  -3.458   7.282
  140    HZ   PHE  19           HZ       PHE  19  -0.296  -2.701   8.297
  141    H    ILE  20           H        ILE  20   1.004  -1.063   3.244
  142    HA   ILE  20           HA       ILE  20   0.294  -3.607   1.844
  143    HB   ILE  20           HB       ILE  20   2.955  -2.152   1.971
  144   HG12  ILE  20          HG12      ILE  20   1.313  -2.781  -0.514
  145   HG13  ILE  20          HG11      ILE  20   1.134  -1.266   0.381
  146   HG21  ILE  20          HG21      ILE  20   2.219  -4.778   0.582
  147   HG22  ILE  20          HG22      ILE  20   3.791  -3.965   0.477
  148   HG23  ILE  20          HG23      ILE  20   3.241  -4.625   2.019
  149   HD11  ILE  20          HD11      ILE  20   2.709  -0.988  -1.475
  150   HD12  ILE  20          HD12      ILE  20   3.543  -0.790   0.087
  151   HD13  ILE  20          HD13      ILE  20   3.729  -2.292  -0.847
  152    H    GLY  21           H        GLY  21  -0.464  -4.439   3.827
  153    HA2  GLY  21           HA2      GLY  21   1.374  -4.643   6.100
  154    HA3  GLY  21           HA3      GLY  21  -0.268  -5.299   5.986
  155    H    ASN  22           H        ASN  22   1.509  -6.937   7.108
  156    HA   ASN  22           HA       ASN  22   2.628  -8.895   7.007
  157    HB2  ASN  22           HB2      ASN  22   0.281  -9.523   6.332
  158    HB3  ASN  22           HB3      ASN  22   0.796  -9.452   4.650
  159   HD21  ASN  22          HD21      ASN  22   0.168 -11.741   4.538
  160   HD22  ASN  22          HD22      ASN  22   1.299 -12.960   5.086
  161    H    LEU  23           H        LEU  23   4.151  -6.920   5.847
  162    HA   LEU  23           HA       LEU  23   5.203  -8.050   3.318
  163    HB2  LEU  23           HB2      LEU  23   4.663  -5.638   3.470
  164    HB3  LEU  23           HB3      LEU  23   5.807  -5.468   4.803
  165    HG   LEU  23           HG       LEU  23   7.665  -6.097   3.297
  166   HD11  LEU  23          HD11      LEU  23   7.257  -6.176   0.846
  167   HD12  LEU  23          HD12      LEU  23   6.511  -7.543   1.700
  168   HD13  LEU  23          HD13      LEU  23   5.508  -6.172   1.154
  169   HD21  LEU  23          HD21      LEU  23   6.939  -3.723   3.570
  170   HD22  LEU  23          HD22      LEU  23   7.652  -4.045   1.967
  171   HD23  LEU  23          HD23      LEU  23   5.891  -3.907   2.145
  172    H    ASN  24           H        ASN  24   7.351  -8.850   3.131
  173    HA   ASN  24           HA       ASN  24   8.341 -10.087   5.514
  174    HB2  ASN  24           HB2      ASN  24   8.586 -10.938   3.115
  175    HB3  ASN  24           HB3      ASN  24   9.784  -9.679   2.867
  176   HD21  ASN  24          HD21      ASN  24  11.643 -10.914   2.665
  177   HD22  ASN  24          HD22      ASN  24  12.233 -11.989   3.919
  178    H    THR  25           H        THR  25   9.311  -7.269   3.631
  179    HA   THR  25           HA       THR  25  10.696  -5.568   3.884
  180    HB   THR  25           HB       THR  25  10.749  -4.407   5.981
  181    HG1  THR  25           HG1      THR  25  11.052  -6.196   7.373
  182   HG21  THR  25          HG21      THR  25   8.089  -5.796   5.485
  183   HG22  THR  25          HG22      THR  25   8.305  -4.271   6.360
  184   HG23  THR  25          HG23      THR  25   8.712  -4.357   4.630
  185    H    LEU  26           H        LEU  26  11.831  -8.523   4.900
  186    HA   LEU  26           HA       LEU  26  14.472  -7.601   5.753
  187    HB2  LEU  26           HB2      LEU  26  13.330 -10.296   4.934
  188    HB3  LEU  26           HB3      LEU  26  14.964 -10.044   5.574
  189    HG   LEU  26           HG       LEU  26  12.322  -9.557   7.023
  190   HD11  LEU  26          HD11      LEU  26  13.008 -11.905   6.808
  191   HD12  LEU  26          HD12      LEU  26  14.602 -11.512   7.497
  192   HD13  LEU  26          HD13      LEU  26  13.134 -11.349   8.496
  193   HD21  LEU  26          HD21      LEU  26  13.889  -7.835   7.719
  194   HD22  LEU  26          HD22      LEU  26  13.761  -9.056   9.003
  195   HD23  LEU  26          HD23      LEU  26  15.181  -9.044   7.936
  196    H    VAL  27           H        VAL  27  12.847  -8.348   2.746
  197    HA   VAL  27           HA       VAL  27  15.475  -8.168   1.320
  198    HB   VAL  27           HB       VAL  27  13.022  -9.794   0.560
  199   HG11  VAL  27          HG11      VAL  27  15.768  -9.564  -0.748
  200   HG12  VAL  27          HG12      VAL  27  14.504 -10.731  -1.201
  201   HG13  VAL  27          HG13      VAL  27  14.230  -9.000  -1.442
  202   HG21  VAL  27          HG21      VAL  27  14.260 -10.785   2.448
  203   HG22  VAL  27          HG22      VAL  27  14.495 -11.739   0.969
  204   HG23  VAL  27          HG23      VAL  27  15.781 -10.654   1.535
  205    H    VAL  28           H        VAL  28  12.157  -6.998   1.581
  206    HA   VAL  28           HA       VAL  28  12.579  -5.373  -0.876
  207    HB   VAL  28           HB       VAL  28  10.043  -5.919   0.713
  208   HG11  VAL  28          HG11      VAL  28  10.503  -4.449  -1.919
  209   HG12  VAL  28          HG12      VAL  28   8.918  -4.845  -1.218
  210   HG13  VAL  28          HG13      VAL  28   9.994  -3.709  -0.383
  211   HG21  VAL  28          HG21      VAL  28   9.417  -7.167  -1.365
  212   HG22  VAL  28          HG22      VAL  28  11.065  -6.937  -1.971
  213   HG23  VAL  28          HG23      VAL  28  10.780  -7.909  -0.501
  214    H    LYS  29           H        LYS  29  12.738  -3.201  -0.803
  215    HA   LYS  29           HA       LYS  29  12.524  -1.854   1.851
  216    HB2  LYS  29           HB2      LYS  29  14.785  -1.639  -0.181
  217    HB3  LYS  29           HB3      LYS  29  14.518  -0.504   1.140
  218    HG2  LYS  29           HG2      LYS  29  16.125  -1.885   2.031
  219    HG3  LYS  29           HG3      LYS  29  14.628  -2.503   2.736
  220    HD2  LYS  29           HD2      LYS  29  16.130  -4.324   2.059
  221    HD3  LYS  29           HD3      LYS  29  14.660  -4.384   1.089
  222    HE2  LYS  29           HE2      LYS  29  15.821  -3.205  -0.757
  223    HE3  LYS  29           HE3      LYS  29  17.301  -3.135   0.224
  224    HZ1  LYS  29           HZ1      LYS  29  15.943  -5.588  -0.679
  225    HZ2  LYS  29           HZ2      LYS  29  17.319  -4.968  -1.318
  226    HZ3  LYS  29           HZ3      LYS  29  17.318  -5.539   0.225
  227    H    LYS  30           H        LYS  30  12.691   0.602   1.490
  228    HA   LYS  30           HA       LYS  30  10.443   1.394  -0.100
  229    HB2  LYS  30           HB2      LYS  30  11.062   3.663   0.699
  230    HB3  LYS  30           HB3      LYS  30  10.974   2.448   1.989
  231    HG2  LYS  30           HG2      LYS  30  13.622   2.251   1.340
  232    HG3  LYS  30           HG3      LYS  30  13.338   3.950   0.945
  233    HD2  LYS  30           HD2      LYS  30  12.645   2.562   3.575
  234    HD3  LYS  30           HD3      LYS  30  14.080   3.568   3.306
  235    HE2  LYS  30           HE2      LYS  30  12.645   5.521   2.845
  236    HE3  LYS  30           HE3      LYS  30  11.193   4.525   3.079
  237    HZ1  LYS  30           HZ1      LYS  30  11.768   5.767   5.055
  238    HZ2  LYS  30           HZ2      LYS  30  11.898   4.156   5.346
  239    HZ3  LYS  30           HZ3      LYS  30  13.249   5.044   5.118
  240    H    SER  31           H        SER  31  13.551   0.682  -1.094
  241    HA   SER  31           HA       SER  31  13.428   2.539  -3.410
  242    HB2  SER  31           HB2      SER  31  15.641   0.665  -2.502
  243    HB3  SER  31           HB3      SER  31  15.732   1.845  -3.830
  244    HG   SER  31           HG       SER  31  16.603   2.664  -1.885
  245    H    ASP  32           H        ASP  32  12.179  -0.408  -2.558
  246    HA   ASP  32           HA       ASP  32  12.474  -1.563  -5.293
  247    HB2  ASP  32           HB2      ASP  32  12.040  -2.796  -2.554
  248    HB3  ASP  32           HB3      ASP  32  11.861  -3.699  -4.056
  249    H    VAL  33           H        VAL  33  10.244  -0.687  -2.627
  250    HA   VAL  33           HA       VAL  33   7.897  -1.828  -3.819
  251    HB   VAL  33           HB       VAL  33   8.291   0.486  -1.881
  252   HG11  VAL  33          HG11      VAL  33   5.782  -1.136  -2.482
  253   HG12  VAL  33          HG12      VAL  33   5.943   0.137  -1.257
  254   HG13  VAL  33          HG13      VAL  33   6.050   0.556  -2.980
  255   HG21  VAL  33          HG21      VAL  33   7.651  -1.207  -0.180
  256   HG22  VAL  33          HG22      VAL  33   7.594  -2.452  -1.443
  257   HG23  VAL  33          HG23      VAL  33   9.136  -1.667  -1.035
  258    H    GLU  34           H        GLU  34   9.660   1.217  -4.265
  259    HA   GLU  34           HA       GLU  34   7.578   2.398  -5.918
  260    HB2  GLU  34           HB2      GLU  34   9.174   4.184  -6.300
  261    HB3  GLU  34           HB3      GLU  34   9.021   3.813  -4.573
  262    HG2  GLU  34           HG2      GLU  34  11.105   2.518  -4.635
  263    HG3  GLU  34           HG3      GLU  34  11.241   2.773  -6.385
  264    H    ALA  35           H        ALA  35   9.339  -0.246  -6.543
  265    HA   ALA  35           HA       ALA  35   9.497   0.394  -9.446
  266    HB1  ALA  35           HB1      ALA  35  11.751   0.214  -8.468
  267    HB2  ALA  35           HB2      ALA  35  11.346  -1.398  -7.830
  268    HB3  ALA  35           HB3      ALA  35  11.418  -1.131  -9.587
  269    H    ILE  36           H        ILE  36   8.038  -1.433  -6.986
  270    HA   ILE  36           HA       ILE  36   7.282  -3.601  -8.890
  271    HB   ILE  36           HB       ILE  36   7.164  -3.430  -5.855
  272   HG12  ILE  36          HG12      ILE  36   8.838  -5.279  -7.595
  273   HG13  ILE  36          HG11      ILE  36   9.435  -3.703  -7.051
  274   HG21  ILE  36          HG21      ILE  36   5.304  -4.783  -6.722
  275   HG22  ILE  36          HG22      ILE  36   6.425  -5.714  -7.743
  276   HG23  ILE  36          HG23      ILE  36   6.504  -5.834  -5.968
  277   HD11  ILE  36          HD11      ILE  36   9.051  -4.363  -4.689
  278   HD12  ILE  36          HD12      ILE  36   8.549  -5.982  -5.242
  279   HD13  ILE  36          HD13      ILE  36  10.214  -5.422  -5.511
  280    H    PHE  37           H        PHE  37   6.087  -0.914  -6.925
  281    HA   PHE  37           HA       PHE  37   3.291  -1.630  -7.612
  282    HB2  PHE  37           HB2      PHE  37   4.533   0.250  -5.587
  283    HB3  PHE  37           HB3      PHE  37   2.817   0.245  -5.962
  284    HD1  PHE  37           HD1      PHE  37   5.581  -1.941  -4.728
  285    HD2  PHE  37           HD2      PHE  37   1.344  -1.288  -4.971
  286    HE1  PHE  37           HE1      PHE  37   5.199  -3.817  -3.136
  287    HE2  PHE  37           HE2      PHE  37   0.958  -3.143  -3.374
  288    HZ   PHE  37           HZ       PHE  37   2.890  -4.400  -2.443
  289    H    SER  38           H        SER  38   5.858   0.245  -8.789
  290    HA   SER  38           HA       SER  38   4.415   2.616  -9.581
  291    HB2  SER  38           HB2      SER  38   6.421   2.988 -11.002
  292    HB3  SER  38           HB3      SER  38   6.836   2.612  -9.309
  293    HG   SER  38           HG       SER  38   8.082   1.420 -10.824
  294    H    LYS  39           H        LYS  39   4.475  -0.607 -10.763
  295    HA   LYS  39           HA       LYS  39   3.828   0.064 -13.525
  296    HB2  LYS  39           HB2      LYS  39   3.721  -2.341 -13.828
  297    HB3  LYS  39           HB3      LYS  39   5.160  -1.903 -12.880
  298    HG2  LYS  39           HG2      LYS  39   3.660  -2.327 -10.793
  299    HG3  LYS  39           HG3      LYS  39   2.573  -3.161 -11.914
  300    HD2  LYS  39           HD2      LYS  39   5.521  -3.762 -11.476
  301    HD3  LYS  39           HD3      LYS  39   4.176  -4.718 -10.816
  302    HE2  LYS  39           HE2      LYS  39   3.392  -5.183 -13.140
  303    HE3  LYS  39           HE3      LYS  39   4.790  -4.296 -13.777
  304    HZ1  LYS  39           HZ1      LYS  39   5.197  -6.635 -13.729
  305    HZ2  LYS  39           HZ2      LYS  39   6.212  -5.891 -12.668
  306    HZ3  LYS  39           HZ3      LYS  39   4.903  -6.720 -12.115
  307    H    TYR  40           H        TYR  40   2.038  -0.051 -10.609
  308    HA   TYR  40           HA       TYR  40  -0.496  -0.548 -12.094
  309    HB2  TYR  40           HB2      TYR  40   0.032  -0.482  -9.114
  310    HB3  TYR  40           HB3      TYR  40  -1.494  -0.889  -9.907
  311    HD1  TYR  40           HD1      TYR  40  -1.560  -2.901 -11.494
  312    HD2  TYR  40           HD2      TYR  40   1.663  -2.155  -8.750
  313    HE1  TYR  40           HE1      TYR  40  -0.812  -5.246 -11.751
  314    HE2  TYR  40           HE2      TYR  40   2.427  -4.505  -9.001
  315    HH   TYR  40           HH       TYR  40   0.742  -6.823 -11.163
  316    H    GLY  41           H        GLY  41   1.452   1.954 -10.711
  317    HA2  GLY  41           HA2      GLY  41  -0.247   3.955 -11.807
  318    HA3  GLY  41           HA3      GLY  41  -0.490   3.891 -10.055
  319    H    LYS  42           H        LYS  42   0.549   6.144 -11.426
  320    HA   LYS  42           HA       LYS  42   3.423   6.263 -11.187
  321    HB2  LYS  42           HB2      LYS  42   2.279   7.739 -12.702
  322    HB3  LYS  42           HB3      LYS  42   1.199   8.326 -11.425
  323    HG2  LYS  42           HG2      LYS  42   3.056   9.409 -10.271
  324    HG3  LYS  42           HG3      LYS  42   4.211   8.775 -11.470
  325    HD2  LYS  42           HD2      LYS  42   3.217  10.079 -13.232
  326    HD3  LYS  42           HD3      LYS  42   1.826  10.523 -12.214
  327    HE2  LYS  42           HE2      LYS  42   3.282  11.738 -10.681
  328    HE3  LYS  42           HE3      LYS  42   4.712  11.277 -11.626
  329    HZ1  LYS  42           HZ1      LYS  42   3.796  12.508 -13.479
  330    HZ2  LYS  42           HZ2      LYS  42   2.474  12.929 -12.607
  331    HZ3  LYS  42           HZ3      LYS  42   3.955  13.491 -12.171
  332    H    ILE  43           H        ILE  43   4.455   6.100  -9.300
  333    HA   ILE  43           HA       ILE  43   3.061   6.697  -6.801
  334    HB   ILE  43           HB       ILE  43   5.843   5.656  -7.428
  335   HG12  ILE  43          HG12      ILE  43   3.314   4.332  -6.339
  336   HG13  ILE  43          HG11      ILE  43   3.916   4.177  -8.000
  337   HG21  ILE  43          HG21      ILE  43   6.002   5.122  -5.028
  338   HG22  ILE  43          HG22      ILE  43   5.809   6.865  -5.250
  339   HG23  ILE  43          HG23      ILE  43   4.416   5.875  -4.745
  340   HD11  ILE  43          HD11      ILE  43   5.331   3.204  -5.483
  341   HD12  ILE  43          HD12      ILE  43   4.522   2.216  -6.702
  342   HD13  ILE  43          HD13      ILE  43   5.989   3.125  -7.142
  343    H    VAL  44           H        VAL  44   3.191   8.497  -5.652
  344    HA   VAL  44           HA       VAL  44   5.130  10.591  -6.512
  345    HB   VAL  44           HB       VAL  44   3.555  12.205  -5.549
  346   HG11  VAL  44          HG11      VAL  44   1.787  11.984  -7.225
  347   HG12  VAL  44          HG12      VAL  44   3.358  11.539  -7.931
  348   HG13  VAL  44          HG13      VAL  44   2.192  10.274  -7.474
  349   HG21  VAL  44          HG21      VAL  44   1.761   9.792  -5.050
  350   HG22  VAL  44          HG22      VAL  44   2.563  10.771  -3.797
  351   HG23  VAL  44          HG23      VAL  44   1.309  11.489  -4.831
  352    H    GLY  45           H        GLY  45   4.578   8.292  -4.130
  353    HA2  GLY  45           HA2      GLY  45   6.750   9.241  -2.526
  354    HA3  GLY  45           HA3      GLY  45   5.202   9.496  -1.697
  355    H    CYS  46           H        CYS  46   7.495   7.591  -1.143
  356    HA   CYS  46           HA       CYS  46   5.829   5.196  -0.766
  357    HB2  CYS  46           HB2      CYS  46   6.917   4.877  -2.978
  358    HB3  CYS  46           HB3      CYS  46   8.506   5.119  -2.218
  359    HG   CYS  46           HG       CYS  46   8.250   3.171  -0.480
  360    H    SER  47           H        SER  47   6.452   3.984   1.021
  361    HA   SER  47           HA       SER  47   9.041   4.493   2.290
  362    HB2  SER  47           HB2      SER  47   7.582   6.333   3.136
  363    HB3  SER  47           HB3      SER  47   6.462   5.108   3.779
  364    HG   SER  47           HG       SER  47   8.045   5.861   5.304
  365    H    VAL  48           H        VAL  48   9.603   2.901   3.780
  366    HA   VAL  48           HA       VAL  48   7.713   0.606   4.036
  367    HB   VAL  48           HB       VAL  48  10.694   0.518   3.445
  368   HG11  VAL  48          HG11      VAL  48  10.380  -1.943   3.427
  369   HG12  VAL  48          HG12      VAL  48  10.160  -1.249   5.044
  370   HG13  VAL  48          HG13      VAL  48   8.741  -1.733   4.080
  371   HG21  VAL  48          HG21      VAL  48   8.233  -0.480   1.955
  372   HG22  VAL  48          HG22      VAL  48   9.229   0.923   1.492
  373   HG23  VAL  48          HG23      VAL  48   9.922  -0.718   1.446
  374    H    HIS  49           H        HIS  49   7.864  -0.572   5.930
  375    HA   HIS  49           HA       HIS  49   9.383   0.601   8.200
  376    HB2  HIS  49           HB2      HIS  49   6.410  -0.055   8.184
  377    HB3  HIS  49           HB3      HIS  49   7.336   0.609   9.536
  378    HD2  HIS  49           HD2      HIS  49   5.989   1.623   6.035
  379    HE1  HIS  49           HE1      HIS  49   6.802   5.219   8.148
  380    HE2  HIS  49           HE2      HIS  49   5.810   4.240   6.022
  381    H    LYS  50           H        LYS  50   8.460  -1.072  10.183
  382    HA   LYS  50           HA       LYS  50   9.522  -3.618   9.180
  383    HB2  LYS  50           HB2      LYS  50  10.270  -2.502  11.331
  384    HB3  LYS  50           HB3      LYS  50   8.688  -2.933  12.019
  385    HG2  LYS  50           HG2      LYS  50   9.126  -5.316  11.485
  386    HG3  LYS  50           HG3      LYS  50  10.700  -4.856  10.783
  387    HD2  LYS  50           HD2      LYS  50  11.394  -3.937  12.987
  388    HD3  LYS  50           HD3      LYS  50   9.845  -4.441  13.688
  389    HE2  LYS  50           HE2      LYS  50  11.889  -6.304  12.410
  390    HE3  LYS  50           HE3      LYS  50  11.703  -6.033  14.153
  391    HZ1  LYS  50           HZ1      LYS  50  10.536  -7.996  13.452
  392    HZ2  LYS  50           HZ2      LYS  50   9.465  -6.873  13.989
  393    HZ3  LYS  50           HZ3      LYS  50   9.635  -7.138  12.375
  394    H    GLY  51           H        GLY  51   8.260  -5.123   8.359
  395    HA2  GLY  51           HA2      GLY  51   6.568  -6.688   8.269
  396    HA3  GLY  51           HA3      GLY  51   5.807  -5.942   9.681
  397    H    PHE  52           H        PHE  52   6.162  -3.296   7.768
  398    HA   PHE  52           HA       PHE  52   4.006  -3.880   5.857
  399    HB2  PHE  52           HB2      PHE  52   2.565  -2.105   6.624
  400    HB3  PHE  52           HB3      PHE  52   2.740  -3.342   7.855
  401    HD1  PHE  52           HD1      PHE  52   4.162  -2.897   9.884
  402    HD2  PHE  52           HD2      PHE  52   3.232   0.162   7.005
  403    HE1  PHE  52           HE1      PHE  52   4.794  -1.154  11.529
  404    HE2  PHE  52           HE2      PHE  52   3.872   1.897   8.644
  405    HZ   PHE  52           HZ       PHE  52   4.652   1.241  10.914
  406    H    ALA  53           H        ALA  53   3.508  -1.923   4.507
  407    HA   ALA  53           HA       ALA  53   5.577   0.176   4.447
  408    HB1  ALA  53           HB1      ALA  53   5.032  -1.700   2.115
  409    HB2  ALA  53           HB2      ALA  53   5.992  -0.209   2.034
  410    HB3  ALA  53           HB3      ALA  53   6.540  -1.557   3.052
  411    H    PHE  54           H        PHE  54   5.008   1.770   2.620
  412    HA   PHE  54           HA       PHE  54   2.091   1.961   2.130
  413    HB2  PHE  54           HB2      PHE  54   3.828   3.840   3.717
  414    HB3  PHE  54           HB3      PHE  54   2.564   4.523   2.695
  415    HD1  PHE  54           HD1      PHE  54   0.190   3.537   2.903
  416    HD2  PHE  54           HD2      PHE  54   3.229   3.125   5.919
  417    HE1  PHE  54           HE1      PHE  54  -1.564   3.138   4.613
  418    HE2  PHE  54           HE2      PHE  54   1.477   2.691   7.617
  419    HZ   PHE  54           HZ       PHE  54  -0.914   2.713   6.970
  420    H    VAL  55           H        VAL  55   1.533   2.990   0.271
  421    HA   VAL  55           HA       VAL  55   3.672   4.224  -1.387
  422    HB   VAL  55           HB       VAL  55   1.656   2.130  -2.306
  423   HG11  VAL  55          HG11      VAL  55   3.731   3.734  -3.856
  424   HG12  VAL  55          HG12      VAL  55   2.787   2.370  -4.506
  425   HG13  VAL  55          HG13      VAL  55   1.960   3.861  -4.027
  426   HG21  VAL  55          HG21      VAL  55   3.615   1.175  -1.151
  427   HG22  VAL  55          HG22      VAL  55   3.678   0.840  -2.893
  428   HG23  VAL  55          HG23      VAL  55   4.697   2.126  -2.203
  429    H    GLN  56           H        GLN  56   3.027   6.017  -2.468
  430    HA   GLN  56           HA       GLN  56   0.182   6.833  -2.120
  431    HB2  GLN  56           HB2      GLN  56   1.961   8.058  -0.775
  432    HB3  GLN  56           HB3      GLN  56   2.693   8.549  -2.300
  433    HG2  GLN  56           HG2      GLN  56   1.368  10.388  -1.623
  434    HG3  GLN  56           HG3      GLN  56   0.451   9.602  -2.913
  435   HE21  GLN  56          HE21      GLN  56  -1.715   9.642  -2.431
  436   HE22  GLN  56          HE22      GLN  56  -2.383   9.387  -0.839
  437    H    TYR  57           H        TYR  57  -0.926   7.427  -3.928
  438    HA   TYR  57           HA       TYR  57   0.578   7.512  -6.505
  439    HB2  TYR  57           HB2      TYR  57  -2.243   6.578  -5.877
  440    HB3  TYR  57           HB3      TYR  57  -1.582   6.780  -7.504
  441    HD1  TYR  57           HD1      TYR  57   0.838   5.610  -7.796
  442    HD2  TYR  57           HD2      TYR  57  -2.301   4.355  -5.129
  443    HE1  TYR  57           HE1      TYR  57   1.789   3.309  -7.754
  444    HE2  TYR  57           HE2      TYR  57  -1.342   2.075  -5.081
  445    HH   TYR  57           HH       TYR  57   0.327   0.704  -5.792
  446    H    VAL  58           H        VAL  58  -0.898   8.655  -8.232
  447    HA   VAL  58           HA       VAL  58  -1.194  11.397  -7.382
  448    HB   VAL  58           HB       VAL  58  -1.873   9.933  -9.964
  449   HG11  VAL  58          HG11      VAL  58  -1.939  12.207 -10.979
  450   HG12  VAL  58          HG12      VAL  58  -3.241  11.967  -9.810
  451   HG13  VAL  58          HG13      VAL  58  -1.803  12.918  -9.355
  452   HG21  VAL  58          HG21      VAL  58   0.432  11.764  -9.185
  453   HG22  VAL  58          HG22      VAL  58   0.537  10.000  -9.401
  454   HG23  VAL  58          HG23      VAL  58   0.166  11.043 -10.788
  455    H    ASN  59           H        ASN  59  -3.409   8.632  -7.814
  456    HA   ASN  59           HA       ASN  59  -5.426  10.126  -6.361
  457    HB2  ASN  59           HB2      ASN  59  -7.066  10.340  -7.930
  458    HB3  ASN  59           HB3      ASN  59  -5.620  10.738  -8.888
  459   HD21  ASN  59          HD21      ASN  59  -4.604   8.486  -9.854
  460   HD22  ASN  59          HD22      ASN  59  -5.805   7.525 -10.679
  461    H    GLU  60           H        GLU  60  -7.464   8.768  -6.066
  462    HA   GLU  60           HA       GLU  60  -6.795   6.299  -4.887
  463    HB2  GLU  60           HB2      GLU  60  -8.688   7.646  -4.214
  464    HB3  GLU  60           HB3      GLU  60  -9.441   7.452  -5.813
  465    HG2  GLU  60           HG2      GLU  60  -9.727   5.050  -5.441
  466    HG3  GLU  60           HG3      GLU  60  -8.811   5.133  -3.931
  467    H    ARG  61           H        ARG  61  -7.849   6.953  -8.257
  468    HA   ARG  61           HA       ARG  61  -8.670   4.305  -8.868
  469    HB2  ARG  61           HB2      ARG  61  -9.127   6.097 -10.393
  470    HB3  ARG  61           HB3      ARG  61  -7.414   6.523 -10.511
  471    HG2  ARG  61           HG2      ARG  61  -8.257   5.346 -12.524
  472    HG3  ARG  61           HG3      ARG  61  -6.900   4.516 -11.745
  473    HD2  ARG  61           HD2      ARG  61  -8.396   2.924 -10.695
  474    HD3  ARG  61           HD3      ARG  61  -9.822   3.805 -11.290
  475    HE   ARG  61           HE       ARG  61  -8.256   3.137 -13.537
  476   HH11  ARG  61          HH11      ARG  61 -10.051   1.466 -10.995
  477   HH12  ARG  61          HH12      ARG  61 -10.412   0.076 -11.993
  478   HH21  ARG  61          HH21      ARG  61  -8.740   1.311 -14.822
  479   HH22  ARG  61          HH22      ARG  61  -9.679  -0.006 -14.158
  480    H    ASN  62           H        ASN  62  -5.425   5.815  -8.794
  481    HA   ASN  62           HA       ASN  62  -4.122   3.466  -9.872
  482    HB2  ASN  62           HB2      ASN  62  -3.226   5.975  -8.432
  483    HB3  ASN  62           HB3      ASN  62  -2.079   4.690  -8.884
  484   HD21  ASN  62          HD21      ASN  62  -2.717   3.860 -11.314
  485   HD22  ASN  62          HD22      ASN  62  -2.740   5.171 -12.475
  486    H    ALA  63           H        ALA  63  -5.206   4.444  -6.680
  487    HA   ALA  63           HA       ALA  63  -3.525   2.542  -5.253
  488    HB1  ALA  63           HB1      ALA  63  -4.399   4.603  -4.191
  489    HB2  ALA  63           HB2      ALA  63  -6.062   3.999  -4.402
  490    HB3  ALA  63           HB3      ALA  63  -4.941   3.143  -3.332
  491    H    ARG  64           H        ARG  64  -6.825   2.586  -6.591
  492    HA   ARG  64           HA       ARG  64  -7.587   0.027  -5.468
  493    HB2  ARG  64           HB2      ARG  64  -8.643   1.578  -7.871
  494    HB3  ARG  64           HB3      ARG  64  -9.429   0.166  -7.153
  495    HG2  ARG  64           HG2      ARG  64  -8.884   2.775  -5.669
  496    HG3  ARG  64           HG3      ARG  64 -10.428   2.336  -6.419
  497    HD2  ARG  64           HD2      ARG  64 -10.585   0.362  -4.953
  498    HD3  ARG  64           HD3      ARG  64  -9.039   0.794  -4.191
  499    HE   ARG  64           HE       ARG  64 -10.575   3.079  -3.931
  500   HH11  ARG  64          HH11      ARG  64 -11.023  -0.299  -2.972
  501   HH12  ARG  64          HH12      ARG  64 -12.028   0.119  -1.600
  502   HH21  ARG  64          HH21      ARG  64 -11.834   3.578  -2.172
  503   HH22  ARG  64          HH22      ARG  64 -12.492   2.325  -1.140
  504    H    ALA  65           H        ALA  65  -5.682   1.018  -8.250
  505    HA   ALA  65           HA       ALA  65  -5.981  -1.552  -9.609
  506    HB1  ALA  65           HB1      ALA  65  -5.619   0.562 -10.839
  507    HB2  ALA  65           HB2      ALA  65  -4.049   0.761 -10.033
  508    HB3  ALA  65           HB3      ALA  65  -4.309  -0.609 -11.140
  509    H    ALA  66           H        ALA  66  -3.676  -0.034  -7.324
  510    HA   ALA  66           HA       ALA  66  -1.782  -2.225  -7.613
  511    HB1  ALA  66           HB1      ALA  66  -2.027   0.011  -5.567
  512    HB2  ALA  66           HB2      ALA  66  -0.616  -1.051  -5.797
  513    HB3  ALA  66           HB3      ALA  66  -1.108   0.066  -7.097
  514    H    VAL  67           H        VAL  67  -4.393  -1.315  -5.338
  515    HA   VAL  67           HA       VAL  67  -3.929  -3.418  -3.439
  516    HB   VAL  67           HB       VAL  67  -6.376  -1.821  -4.275
  517   HG11  VAL  67          HG11      VAL  67  -6.099  -3.828  -1.995
  518   HG12  VAL  67          HG12      VAL  67  -7.434  -2.658  -2.176
  519   HG13  VAL  67          HG13      VAL  67  -7.211  -3.943  -3.375
  520   HG21  VAL  67          HG21      VAL  67  -5.996  -0.674  -2.150
  521   HG22  VAL  67          HG22      VAL  67  -4.682  -1.803  -1.739
  522   HG23  VAL  67          HG23      VAL  67  -4.486  -0.657  -3.082
  523    H    ALA  68           H        ALA  68  -5.600  -3.304  -6.604
  524    HA   ALA  68           HA       ALA  68  -6.485  -6.097  -6.220
  525    HB1  ALA  68           HB1      ALA  68  -6.880  -4.158  -8.526
  526    HB2  ALA  68           HB2      ALA  68  -7.657  -5.749  -8.347
  527    HB3  ALA  68           HB3      ALA  68  -8.032  -4.441  -7.199
  528    H    GLY  69           H        GLY  69  -3.682  -4.530  -7.314
  529    HA2  GLY  69           HA2      GLY  69  -3.082  -6.633  -9.327
  530    HA3  GLY  69           HA3      GLY  69  -2.271  -5.073  -9.145
  531    H    GLU  70           H        GLU  70  -2.357  -5.893  -6.012
  532    HA   GLU  70           HA       GLU  70   0.100  -7.600  -6.140
  533    HB2  GLU  70           HB2      GLU  70  -0.275  -4.874  -4.866
  534    HB3  GLU  70           HB3      GLU  70   0.996  -5.999  -4.349
  535    HG2  GLU  70           HG2      GLU  70   0.686  -5.171  -7.247
  536    HG3  GLU  70           HG3      GLU  70   1.663  -4.256  -6.089
  537    H    ASP  71           H        ASP  71  -2.875  -6.720  -4.439
  538    HA   ASP  71           HA       ASP  71  -2.172  -7.833  -1.916
  539    HB2  ASP  71           HB2      ASP  71  -4.164  -6.439  -2.302
  540    HB3  ASP  71           HB3      ASP  71  -4.859  -7.700  -3.328
  541    H    GLY  72           H        GLY  72  -1.462  -9.860  -1.528
  542    HA2  GLY  72           HA2      GLY  72  -1.740 -12.188  -1.382
  543    HA3  GLY  72           HA3      GLY  72  -2.962 -12.132  -2.669
  544    H    ARG  73           H        ARG  73  -0.230 -10.253  -3.507
  545    HA   ARG  73           HA       ARG  73   0.805 -12.284  -5.328
  546    HB2  ARG  73           HB2      ARG  73   2.195 -10.592  -6.163
  547    HB3  ARG  73           HB3      ARG  73   0.682  -9.781  -5.762
  548    HG2  ARG  73           HG2      ARG  73   1.990  -8.305  -4.628
  549    HG3  ARG  73           HG3      ARG  73   2.102  -9.569  -3.383
  550    HD2  ARG  73           HD2      ARG  73   4.332  -8.829  -3.944
  551    HD3  ARG  73           HD3      ARG  73   4.137 -10.456  -4.620
  552    HE   ARG  73           HE       ARG  73   3.571  -8.088  -6.325
  553   HH11  ARG  73          HH11      ARG  73   5.687 -10.879  -5.692
  554   HH12  ARG  73          HH12      ARG  73   6.473 -10.745  -7.240
  555   HH21  ARG  73          HH21      ARG  73   4.603  -7.964  -8.289
  556   HH22  ARG  73          HH22      ARG  73   5.876  -9.089  -8.710
  557    H    MET  74           H        MET  74   3.339 -12.656  -5.165
  558    HA   MET  74           HA       MET  74   3.855 -13.269  -2.285
  559    HB2  MET  74           HB2      MET  74   3.350 -15.204  -3.756
  560    HB3  MET  74           HB3      MET  74   4.791 -14.829  -4.718
  561    HG2  MET  74           HG2      MET  74   6.250 -15.269  -2.890
  562    HG3  MET  74           HG3      MET  74   4.941 -15.155  -1.708
  563    HE1  MET  74           HE1      MET  74   2.977 -18.422  -1.992
  564    HE2  MET  74           HE2      MET  74   3.299 -16.943  -1.064
  565    HE3  MET  74           HE3      MET  74   2.606 -16.831  -2.692
  566    H    ILE  75           H        ILE  75   5.484 -12.194  -1.415
  567    HA   ILE  75           HA       ILE  75   7.732 -11.381  -3.178
  568    HB   ILE  75           HB       ILE  75   5.826  -9.702  -1.778
  569   HG12  ILE  75          HG12      ILE  75   8.212  -9.172  -3.590
  570   HG13  ILE  75          HG11      ILE  75   6.567  -9.561  -4.118
  571   HG21  ILE  75          HG21      ILE  75   8.752  -9.258  -1.070
  572   HG22  ILE  75          HG22      ILE  75   7.400  -8.139  -0.732
  573   HG23  ILE  75          HG23      ILE  75   7.454  -9.710   0.065
  574   HD11  ILE  75          HD11      ILE  75   7.386  -7.067  -2.557
  575   HD12  ILE  75          HD12      ILE  75   6.996  -7.149  -4.287
  576   HD13  ILE  75          HD13      ILE  75   5.731  -7.464  -3.092
  577    H    ALA  76           H        ALA  76   9.740 -11.681  -2.378
  578    HA   ALA  76           HA       ALA  76  11.301 -12.786  -1.205
  579    HB1  ALA  76           HB1      ALA  76   9.820 -11.751   1.225
  580    HB2  ALA  76           HB2      ALA  76  11.523 -12.253   1.128
  581    HB3  ALA  76           HB3      ALA  76  10.974 -10.806   0.245
  582    H    GLY  77           H        GLY  77   8.579 -14.153  -1.740
  583    HA2  GLY  77           HA2      GLY  77   8.099 -16.428  -1.621
  584    HA3  GLY  77           HA3      GLY  77   9.233 -16.601  -0.256
  585    H    GLN  78           H        GLN  78   7.253 -13.902   0.333
  586    HA   GLN  78           HA       GLN  78   5.268 -15.540   1.827
  587    HB2  GLN  78           HB2      GLN  78   6.927 -14.763   3.360
  588    HB3  GLN  78           HB3      GLN  78   6.922 -13.148   2.651
  589    HG2  GLN  78           HG2      GLN  78   4.234 -13.772   3.516
  590    HG3  GLN  78           HG3      GLN  78   5.362 -14.121   4.837
  591   HE21  GLN  78          HE21      GLN  78   5.101 -11.639   2.212
  592   HE22  GLN  78          HE22      GLN  78   5.300 -10.266   3.283
  593    H    VAL  79           H        VAL  79   3.211 -15.022   1.526
  594    HA   VAL  79           HA       VAL  79   2.365 -13.273  -0.571
  595    HB   VAL  79           HB       VAL  79   0.805 -14.480   1.753
  596   HG11  VAL  79          HG11      VAL  79  -0.079 -13.492  -0.987
  597   HG12  VAL  79          HG12      VAL  79  -1.116 -14.332   0.191
  598   HG13  VAL  79          HG13      VAL  79  -0.464 -12.731   0.582
  599   HG21  VAL  79          HG21      VAL  79   1.995 -16.223   0.488
  600   HG22  VAL  79          HG22      VAL  79   0.257 -16.283   0.145
  601   HG23  VAL  79          HG23      VAL  79   1.365 -15.554  -1.043
  602    H    LEU  80           H        LEU  80   1.570 -11.219  -0.585
  603    HA   LEU  80           HA       LEU  80   1.905  -9.647   1.908
  604    HB2  LEU  80           HB2      LEU  80   1.280  -8.671  -0.901
  605    HB3  LEU  80           HB3      LEU  80   1.714  -7.700   0.510
  606    HG   LEU  80           HG       LEU  80   3.496  -9.674  -0.978
  607   HD11  LEU  80          HD11      LEU  80   3.548  -6.665  -0.497
  608   HD12  LEU  80          HD12      LEU  80   4.863  -7.590  -1.249
  609   HD13  LEU  80          HD13      LEU  80   3.266  -7.500  -2.047
  610   HD21  LEU  80          HD21      LEU  80   3.958  -9.862   1.427
  611   HD22  LEU  80          HD22      LEU  80   5.261  -8.973   0.618
  612   HD23  LEU  80          HD23      LEU  80   4.031  -8.087   1.563
  613    H    ASP  81           H        ASP  81   0.285  -8.156   2.623
  614    HA   ASP  81           HA       ASP  81  -2.474  -8.839   1.731
  615    HB2  ASP  81           HB2      ASP  81  -1.893  -9.817   3.975
  616    HB3  ASP  81           HB3      ASP  81  -1.634  -8.171   4.573
  617    H    ILE  82           H        ILE  82  -2.933  -7.135   0.471
  618    HA   ILE  82           HA       ILE  82  -2.015  -4.424   1.333
  619    HB   ILE  82           HB       ILE  82  -2.276  -5.703  -1.383
  620   HG12  ILE  82          HG12      ILE  82   0.124  -4.419  -0.038
  621   HG13  ILE  82          HG11      ILE  82  -0.275  -6.123   0.237
  622   HG21  ILE  82          HG21      ILE  82  -1.542  -2.822  -0.675
  623   HG22  ILE  82          HG22      ILE  82  -1.463  -3.547  -2.292
  624   HG23  ILE  82          HG23      ILE  82  -3.028  -3.334  -1.496
  625   HD11  ILE  82          HD11      ILE  82   0.218  -4.920  -2.495
  626   HD12  ILE  82          HD12      ILE  82   1.387  -5.879  -1.543
  627   HD13  ILE  82          HD13      ILE  82  -0.126  -6.628  -2.100
  628    H    ASN  83           H        ASN  83  -3.480  -2.759   1.328
  629    HA   ASN  83           HA       ASN  83  -6.066  -3.000   0.006
  630    HB2  ASN  83           HB2      ASN  83  -7.389  -2.707   2.066
  631    HB3  ASN  83           HB3      ASN  83  -6.525  -4.250   2.058
  632   HD21  ASN  83          HD21      ASN  83  -6.471  -0.908   3.373
  633   HD22  ASN  83          HD22      ASN  83  -5.554  -1.311   4.798
  634    H    LEU  84           H        LEU  84  -7.353  -0.997   0.238
  635    HA   LEU  84           HA       LEU  84  -5.870   1.362  -0.105
  636    HB2  LEU  84           HB2      LEU  84  -8.385   0.510  -0.571
  637    HB3  LEU  84           HB3      LEU  84  -8.705   1.357   0.935
  638    HG   LEU  84           HG       LEU  84  -9.200   2.723  -1.009
  639   HD11  LEU  84          HD11      LEU  84  -6.690   3.810   0.324
  640   HD12  LEU  84          HD12      LEU  84  -7.997   4.717  -0.462
  641   HD13  LEU  84          HD13      LEU  84  -8.326   3.836   1.046
  642   HD21  LEU  84          HD21      LEU  84  -7.575   1.682  -2.562
  643   HD22  LEU  84          HD22      LEU  84  -7.499   3.452  -2.576
  644   HD23  LEU  84          HD23      LEU  84  -6.248   2.521  -1.718
  645    H    ALA  85           H        ALA  85  -5.145   2.929   1.346
  646    HA   ALA  85           HA       ALA  85  -4.728   2.189   4.043
  647    HB1  ALA  85           HB1      ALA  85  -4.519   4.911   2.712
  648    HB2  ALA  85           HB2      ALA  85  -3.759   4.443   4.245
  649    HB3  ALA  85           HB3      ALA  85  -3.244   3.661   2.731
  650    H    ALA  86           H        ALA  86  -7.679   3.103   2.825
  651    HA   ALA  86           HA       ALA  86  -8.483   4.226   5.465
  652    HB1  ALA  86           HB1      ALA  86  -8.395   6.004   3.737
  653    HB2  ALA  86           HB2      ALA  86  -9.527   5.066   2.729
  654    HB3  ALA  86           HB3      ALA  86 -10.053   5.706   4.303
  655    H    GLU  87           H        GLU  87  -8.641   1.570   3.575
  656    HA   GLU  87           HA       GLU  87 -11.303   0.821   4.636
  657    HB2  GLU  87           HB2      GLU  87 -10.377   0.371   1.770
  658    HB3  GLU  87           HB3      GLU  87 -11.833  -0.308   2.483
  659    HG2  GLU  87           HG2      GLU  87 -11.266   2.666   2.141
  660    HG3  GLU  87           HG3      GLU  87 -12.295   1.690   1.095
  661    HA   PRO  88           HA       PRO  88  -7.912  -2.328   5.386
  662    HB2  PRO  88           HB2      PRO  88  -8.317  -2.570   8.083
  663    HB3  PRO  88           HB3      PRO  88  -7.232  -1.346   7.364
  664    HG2  PRO  88           HG2      PRO  88 -10.117  -0.984   8.227
  665    HG3  PRO  88           HG3      PRO  88  -8.699   0.055   8.614
  666    HD2  PRO  88           HD2      PRO  88 -10.401   0.675   6.594
  667    HD3  PRO  88           HD3      PRO  88  -8.634   0.928   6.413
  668    H    LYS  89           H        LYS  89  -8.292  -4.490   5.643
  669    HA   LYS  89           HA       LYS  89 -11.083  -5.212   5.091
  670    HB2  LYS  89           HB2      LYS  89  -9.962  -7.427   4.469
  671    HB3  LYS  89           HB3      LYS  89  -9.624  -6.011   3.463
  672    HG2  LYS  89           HG2      LYS  89  -7.456  -5.677   4.438
  673    HG3  LYS  89           HG3      LYS  89  -7.775  -6.838   5.725
  674    HD2  LYS  89           HD2      LYS  89  -6.360  -7.924   4.166
  675    HD3  LYS  89           HD3      LYS  89  -7.961  -8.642   3.956
  676    HE2  LYS  89           HE2      LYS  89  -8.345  -7.232   1.967
  677    HE3  LYS  89           HE3      LYS  89  -6.793  -6.421   2.226
  678    HZ1  LYS  89           HZ1      LYS  89  -7.152  -9.279   1.619
  679    HZ2  LYS  89           HZ2      LYS  89  -6.556  -8.137   0.605
  680    HZ3  LYS  89           HZ3      LYS  89  -5.712  -8.559   1.948
  681    H    VAL  90           H        VAL  90  -9.099  -7.663   6.387
  682    HA   VAL  90           HA       VAL  90 -10.547  -7.676   8.994
  683    HB   VAL  90           HB       VAL  90 -10.682  -9.828   6.846
  684   HG11  VAL  90          HG11      VAL  90 -11.588  -9.948   9.752
  685   HG12  VAL  90          HG12      VAL  90 -12.014 -11.131   8.490
  686   HG13  VAL  90          HG13      VAL  90 -10.322 -10.947   8.978
  687   HG21  VAL  90          HG21      VAL  90 -12.836  -8.221   8.280
  688   HG22  VAL  90          HG22      VAL  90 -12.350  -8.057   6.568
  689   HG23  VAL  90          HG23      VAL  90 -13.131  -9.544   7.135
  690    H    ASN  91           H        ASN  91  -7.941  -8.888   6.903
  691    HA   ASN  91           HA       ASN  91  -6.914 -10.618   9.024
  692    HB2  ASN  91           HB2      ASN  91  -6.065 -10.082   6.165
  693    HB3  ASN  91           HB3      ASN  91  -5.150 -11.120   7.273
  694   HD21  ASN  91          HD21      ASN  91  -8.266 -10.750   5.568
  695   HD22  ASN  91          HD22      ASN  91  -8.740 -12.429   5.732
  696    H    ARG  92           H        ARG  92  -6.738  -7.355   8.670
  697    HA   ARG  92           HA       ARG  92  -3.957  -6.782   8.991
  698    HB2  ARG  92           HB2      ARG  92  -5.687  -5.134   8.341
  699    HB3  ARG  92           HB3      ARG  92  -6.375  -5.234   9.981
  700    HG2  ARG  92           HG2      ARG  92  -4.167  -4.544  10.924
  701    HG3  ARG  92           HG3      ARG  92  -3.515  -4.445   9.271
  702    HD2  ARG  92           HD2      ARG  92  -4.079  -2.235  10.023
  703    HD3  ARG  92           HD3      ARG  92  -5.215  -2.715   8.744
  704    HE   ARG  92           HE       ARG  92  -6.961  -2.658  10.279
  705   HH11  ARG  92          HH11      ARG  92  -3.886  -2.562  12.036
  706   HH12  ARG  92          HH12      ARG  92  -4.647  -2.185  13.563
  707   HH21  ARG  92          HH21      ARG  92  -7.913  -2.174  12.286
  708   HH22  ARG  92          HH22      ARG  92  -6.911  -1.987  13.704
  709    H    GLY  93           H        GLY  93  -3.126  -8.314  10.500
  710    HA2  GLY  93           HA2      GLY  93  -3.094  -7.477  13.208
  711    HA3  GLY  93           HA3      GLY  93  -4.235  -8.837  13.069
  712    H    LYS  94           H        LYS  94  -1.021  -8.007  11.737
  713    HA   LYS  94           HA       LYS  94   0.992  -8.986  11.765
  714    HB2  LYS  94           HB2      LYS  94   0.481  -8.782  14.222
  715    HB3  LYS  94           HB3      LYS  94   0.110 -10.528  14.203
  716    HG2  LYS  94           HG2      LYS  94   2.364 -11.021  13.402
  717    HG3  LYS  94           HG3      LYS  94   2.712  -9.274  13.240
  718    HD2  LYS  94           HD2      LYS  94   2.426  -8.987  15.666
  719    HD3  LYS  94           HD3      LYS  94   2.010 -10.707  15.835
  720    HE2  LYS  94           HE2      LYS  94   4.340 -10.388  16.468
  721    HE3  LYS  94           HE3      LYS  94   4.265 -11.316  14.963
  722    HZ1  LYS  94           HZ1      LYS  94   4.790  -8.422  15.150
  723    HZ2  LYS  94           HZ2      LYS  94   5.917  -9.580  14.875
  724    HZ3  LYS  94           HZ3      LYS  94   4.744  -9.297  13.760
  725    H    ALA  95           H        ALA  95  -1.726 -11.231  11.716
  726    HA   ALA  95           HA       ALA  95  -0.190 -13.006   9.958
  727    HB1  ALA  95           HB1      ALA  95  -1.335 -13.952  12.622
  728    HB2  ALA  95           HB2      ALA  95  -0.600 -14.996  11.372
  729    HB3  ALA  95           HB3      ALA  95   0.391 -13.807  12.238
  730    H    GLY  96           H        GLY  96  -1.540 -14.582   8.891
  731    HA2  GLY  96           HA2      GLY  96  -4.267 -13.642   8.448
  732    HA3  GLY  96           HA3      GLY  96  -3.445 -14.982   7.630
  733    H    VAL  97           H        VAL  97  -2.803 -15.769  10.690
  734    HA   VAL  97           HA       VAL  97  -5.179 -17.505  10.929
  735    HB   VAL  97           HB       VAL  97  -2.522 -17.504  12.414
  736   HG11  VAL  97          HG11      VAL  97  -3.251 -19.764  13.162
  737   HG12  VAL  97          HG12      VAL  97  -4.302 -18.482  13.790
  738   HG13  VAL  97          HG13      VAL  97  -4.840 -19.485  12.418
  739   HG21  VAL  97          HG21      VAL  97  -2.307 -18.107  10.027
  740   HG22  VAL  97          HG22      VAL  97  -2.093 -19.538  11.057
  741   HG23  VAL  97          HG23      VAL  97  -3.624 -19.289  10.193
  742    H    LYS  98           H        LYS  98  -6.624 -17.389  12.579
  743    HA   LYS  98           HA       LYS  98  -6.307 -15.133  14.505
  744    HB2  LYS  98           HB2      LYS  98  -8.866 -16.021  13.127
  745    HB3  LYS  98           HB3      LYS  98  -8.695 -14.669  14.256
  746    HG2  LYS  98           HG2      LYS  98  -7.366 -14.879  11.516
  747    HG3  LYS  98           HG3      LYS  98  -8.790 -13.913  11.902
  748    HD2  LYS  98           HD2      LYS  98  -7.486 -12.522  13.451
  749    HD3  LYS  98           HD3      LYS  98  -6.050 -13.538  13.193
  750    HE2  LYS  98           HE2      LYS  98  -6.128 -12.981  10.765
  751    HE3  LYS  98           HE3      LYS  98  -7.473 -11.866  11.085
  752    HZ1  LYS  98           HZ1      LYS  98  -4.774 -11.691  12.253
  753    HZ2  LYS  98           HZ2      LYS  98  -5.344 -10.746  11.048
  754    HZ3  LYS  98           HZ3      LYS  98  -6.016 -10.647  12.549
  755    H    ARG  99           H        ARG  99  -5.766 -18.091  14.700
  756    HA   ARG  99           HA       ARG  99  -7.577 -18.678  16.987
  757    HB2  ARG  99           HB2      ARG  99  -7.697 -20.092  14.788
  758    HB3  ARG  99           HB3      ARG  99  -6.150 -20.769  15.319
  759    HG2  ARG  99           HG2      ARG  99  -7.966 -22.221  16.000
  760    HG3  ARG  99           HG3      ARG  99  -7.242 -21.507  17.447
  761    HD2  ARG  99           HD2      ARG  99  -9.076 -19.842  17.549
  762    HD3  ARG  99           HD3      ARG  99  -9.753 -20.499  16.043
  763    HE   ARG  99           HE       ARG  99  -9.483 -22.615  17.922
  764   HH11  ARG  99          HH11      ARG  99 -11.404 -19.698  17.423
  765   HH12  ARG  99          HH12      ARG  99 -12.798 -20.324  18.276
  766   HH21  ARG  99          HH21      ARG  99 -11.283 -23.410  19.020
  767   HH22  ARG  99          HH22      ARG  99 -12.725 -22.432  19.190
  768    H    SER 100           H        SER 100  -6.448 -20.335  18.523
  769    HA   SER 100           HA       SER 100  -4.150 -19.112  19.642
  770    HB2  SER 100           HB2      SER 100  -5.377 -21.874  19.973
  771    HB3  SER 100           HB3      SER 100  -4.137 -21.201  21.042
  772    HG   SER 100           HG       SER 100  -6.282 -20.849  21.818
  773    H    ALA 101           H        ALA 101  -4.408 -21.276  16.960
  774    HA   ALA 101           HA       ALA 101  -2.993 -22.627  15.852
  775    HB1  ALA 101           HB1      ALA 101  -0.777 -21.718  15.399
  776    HB2  ALA 101           HB2      ALA 101  -1.997 -20.426  15.395
  777    HB3  ALA 101           HB3      ALA 101  -0.919 -20.621  16.796
  778    H    ALA 102           H        ALA 102  -3.358 -23.105  18.847
  779    HA   ALA 102           HA       ALA 102  -1.348 -25.238  19.056
  780    HB1  ALA 102           HB1      ALA 102  -1.658 -23.068  21.175
  781    HB2  ALA 102           HB2      ALA 102  -0.643 -24.526  21.306
  782    HB3  ALA 102           HB3      ALA 102  -0.258 -23.283  20.099
  783    H    GLU 103           H        GLU 103  -4.444 -24.574  18.934
  784    HA   GLU 103           HA       GLU 103  -5.491 -25.487  21.439
  785    HB2  GLU 103           HB2      GLU 103  -7.635 -25.592  20.200
  786    HB3  GLU 103           HB3      GLU 103  -6.782 -24.048  19.977
  787    HG2  GLU 103           HG2      GLU 103  -6.007 -24.719  17.777
  788    HG3  GLU 103           HG3      GLU 103  -6.612 -26.365  18.012
  789    H    MET 104           H        MET 104  -3.855 -27.202  19.064
  790    HA   MET 104           HA       MET 104  -5.095 -29.753  19.960
  791    HB2  MET 104           HB2      MET 104  -4.939 -30.624  17.688
  792    HB3  MET 104           HB3      MET 104  -5.963 -29.173  17.745
  793    HG2  MET 104           HG2      MET 104  -4.055 -27.805  16.955
  794    HG3  MET 104           HG3      MET 104  -3.044 -29.253  16.904
  795    HE1  MET 104           HE1      MET 104  -6.031 -27.281  15.347
  796    HE2  MET 104           HE2      MET 104  -6.618 -28.382  14.077
  797    HE3  MET 104           HE3      MET 104  -6.852 -28.801  15.785
  798    H    TYR 105           H        TYR 105  -2.455 -27.966  20.260
  799    HA   TYR 105           HA       TYR 105  -0.584 -30.273  19.981
  800    HB2  TYR 105           HB2      TYR 105   0.083 -27.318  19.943
  801    HB3  TYR 105           HB3      TYR 105   1.204 -28.661  19.692
  802    HD1  TYR 105           HD1      TYR 105  -0.397 -30.395  17.862
  803    HD2  TYR 105           HD2      TYR 105   0.179 -26.137  17.924
  804    HE1  TYR 105           HE1      TYR 105  -0.825 -30.306  15.410
  805    HE2  TYR 105           HE2      TYR 105  -0.272 -26.029  15.489
  806    HH   TYR 105           HH       TYR 105  -0.996 -28.970  13.564
  807    H    GLY 106           H        GLY 106  -2.376 -28.652  22.186
  808    HA2  GLY 106           HA2      GLY 106  -0.516 -28.144  24.319
  809    HA3  GLY 106           HA3      GLY 106  -2.276 -28.300  24.463
  810    H5'    U   1           H5'        U   1   3.467  -6.006   9.907
  811   H5''    U   1          H5''        U   1   3.286  -5.054  11.397
  812    H4'    U   1           H4'        U   1   2.152  -3.885   9.651
  813    H3'    U   1           H3'        U   1   0.869  -4.506  11.987
  814    H2'    U   1           H2'        U   1  -0.159  -6.471  11.054
  815   HO2'    U   1          HO2'        U   1  -1.882  -4.293  11.056
  816    H1'    U   1           H1'        U   1  -0.743  -4.781   8.598
  817    H3     U   1           H3         U   1  -3.017  -8.112   6.533
  818    H5     U   1           H5         U   1  -0.425 -10.195   9.102
  819    H6     U   1           H6         U   1   0.504  -8.060   9.790
  820    H5'    U   2           H5'        U   2   0.926  -0.580   9.837
  821   H5''    U   2          H5''        U   2   1.001  -0.097  11.543
  822    H4'    U   2           H4'        U   2   1.000   1.885  10.151
  823    H3'    U   2           H3'        U   2  -0.735   1.461  12.303
  824    H2'    U   2           H2'        U   2  -2.603   0.935  10.931
  825   HO2'    U   2          HO2'        U   2  -3.170   2.780  12.219
  826    H1'    U   2           H1'        U   2  -1.705   3.181   9.108
  827    H3     U   2           H3         U   2  -5.116   2.755   6.232
  828    H5     U   2           H5         U   2  -4.574  -1.181   7.594
  829    H6     U   2           H6         U   2  -2.805  -0.379   9.041
  830    H5'    U   3           H5'        U   3   2.690   2.595  10.715
  831   H5''    U   3          H5''        U   3   3.606   3.281  12.068
  832    H4'    U   3           H4'        U   3   4.902   3.713  10.125
  833    H3'    U   3           H3'        U   3   4.070   5.778  11.735
  834    H2'    U   3           H2'        U   3   2.278   6.514  10.396
  835   HO2'    U   3          HO2'        U   3   4.269   8.074  10.295
  836    H1'    U   3           H1'        U   3   3.847   6.017   7.867
  837    H3     U   3           H3         U   3   0.276   6.827   5.265
  838    H5     U   3           H5         U   3  -1.468   5.253   8.752
  839    H6     U   3           H6         U   3   0.760   5.013   9.678
  840    H5'    U   4           H5'        U   4   8.043   5.253   9.879
  841   H5''    U   4          H5''        U   4   9.151   5.934  11.078
  842    H4'    U   4           H4'        U   4  10.230   5.500   8.894
  843    H3'    U   4           H3'        U   4  10.642   7.699  10.493
  844    H2'    U   4           H2'        U   4   9.019   9.084   9.431
  845   HO2'    U   4          HO2'        U   4  11.481   9.466   8.062
  846    H1'    U   4           H1'        U   4   9.973   8.156   6.725
  847    H3     U   4           H3         U   4   7.160  11.520   5.462
  848    H5     U   4           H5         U   4   4.684   8.730   7.400
  849    H6     U   4           H6         U   4   6.674   7.524   8.078
  850    H5'    C   5           H5'        C   5  12.655   3.492   9.959
  851   H5''    C   5          H5''        C   5  14.048   3.737   8.881
  852    H4'    C   5           H4'        C   5  11.327   2.674   7.998
  853    H3'    C   5           H3'        C   5  13.617   1.365   9.282
  854    H2'    C   5           H2'        C   5  14.359  -0.021   7.503
  855   HO2'    C   5          HO2'        C   5  12.190  -0.719   6.946
  856    H1'    C   5           H1'        C   5  14.138   1.675   5.449
  857    H41    C   5           H41        C   5  18.844   5.278   7.954
  858    H42    C   5           H42        C   5  19.207   3.928   9.011
  859    H5     C   5           H5         C   5  17.784   1.951   9.157
  860    H6     C   5           H6         C   5  15.772   0.911   8.348
  Start of MODEL    5
    1    H1   ALA   2           H1       ALA   2  11.293   9.047  -6.088
    2    H2   ALA   2           H2       ALA   2  11.101   7.602  -5.305
    3    H3   ALA   2           H3       ALA   2  10.353   7.862  -6.759
    4    HA   ALA   2           HA       ALA   2   8.985   9.574  -5.819
    5    HB1  ALA   2           HB1      ALA   2   8.130   7.288  -5.881
    6    HB2  ALA   2           HB2      ALA   2   8.904   6.942  -4.315
    7    HB3  ALA   2           HB3      ALA   2   7.583   8.129  -4.413
    8    H    SER   3           H        SER   3   8.100  10.501  -3.792
    9    HA   SER   3           HA       SER   3  10.192  11.501  -2.097
   10    HB2  SER   3           HB2      SER   3   8.137  12.772  -2.687
   11    HB3  SER   3           HB3      SER   3   7.168  11.598  -1.773
   12    HG   SER   3           HG       SER   3   9.165  13.348  -0.784
   13    H    ASN   4           H        ASN   4  10.288  11.279   0.256
   14    HA   ASN   4           HA       ASN   4   9.889   8.491   1.082
   15    HB2  ASN   4           HB2      ASN   4  11.220   9.162   3.043
   16    HB3  ASN   4           HB3      ASN   4  12.027   9.609   1.531
   17   HD21  ASN   4          HD21      ASN   4  10.336  10.820   4.403
   18   HD22  ASN   4          HD22      ASN   4  10.770  12.498   4.172
   19    H    VAL   5           H        VAL   5   7.832  11.049   0.950
   20    HA   VAL   5           HA       VAL   5   6.709  10.674   3.664
   21    HB   VAL   5           HB       VAL   5   6.188  12.759   1.519
   22   HG11  VAL   5          HG11      VAL   5   5.140  12.558   4.373
   23   HG12  VAL   5          HG12      VAL   5   4.895  13.928   3.271
   24   HG13  VAL   5          HG13      VAL   5   4.163  12.359   2.896
   25   HG21  VAL   5          HG21      VAL   5   8.396  12.956   2.619
   26   HG22  VAL   5          HG22      VAL   5   7.317  14.251   3.173
   27   HG23  VAL   5          HG23      VAL   5   7.621  12.837   4.209
   28    H    THR   6           H        THR   6   4.782   9.786   4.068
   29    HA   THR   6           HA       THR   6   2.919   9.178   1.859
   30    HB   THR   6           HB       THR   6   2.722   6.812   2.621
   31    HG1  THR   6           HG1      THR   6   3.595   6.968   4.662
   32   HG21  THR   6          HG21      THR   6   4.151   7.346   0.673
   33   HG22  THR   6          HG22      THR   6   5.559   7.502   1.767
   34   HG23  THR   6          HG23      THR   6   4.740   5.940   1.579
   35    H    ASN   7           H        ASN   7   3.362  10.492   4.879
   36    HA   ASN   7           HA       ASN   7   0.845   9.353   5.971
   37    HB2  ASN   7           HB2      ASN   7   2.882   9.250   7.346
   38    HB3  ASN   7           HB3      ASN   7   2.980  11.017   7.330
   39   HD21  ASN   7          HD21      ASN   7   2.943  10.132   9.754
   40   HD22  ASN   7          HD22      ASN   7   1.366  10.221  10.513
   41    H    LYS   8           H        LYS   8  -0.759  10.401   4.929
   42    HA   LYS   8           HA       LYS   8  -1.179  13.236   5.675
   43    HB2  LYS   8           HB2      LYS   8  -1.426  12.135   2.853
   44    HB3  LYS   8           HB3      LYS   8  -2.065  13.701   3.393
   45    HG2  LYS   8           HG2      LYS   8   0.244  14.355   4.125
   46    HG3  LYS   8           HG3      LYS   8   0.867  12.862   3.392
   47    HD2  LYS   8           HD2      LYS   8  -0.685  15.031   1.924
   48    HD3  LYS   8           HD3      LYS   8   1.083  14.855   1.907
   49    HE2  LYS   8           HE2      LYS   8   0.847  12.590   0.929
   50    HE3  LYS   8           HE3      LYS   8  -0.915  12.773   0.924
   51    HZ1  LYS   8           HZ1      LYS   8   0.983  14.472  -0.561
   52    HZ2  LYS   8           HZ2      LYS   8   0.030  13.304  -1.210
   53    HZ3  LYS   8           HZ3      LYS   8  -0.650  14.648  -0.556
   54    H    THR   9           H        THR   9  -3.410  13.738   5.948
   55    HA   THR   9           HA       THR   9  -5.125  11.298   6.080
   56    HB   THR   9           HB       THR   9  -6.148  12.295   8.087
   57    HG1  THR   9           HG1      THR   9  -5.092  14.080   9.012
   58   HG21  THR   9          HG21      THR   9  -3.118  12.038   8.258
   59   HG22  THR   9          HG22      THR   9  -4.266  11.892   9.611
   60   HG23  THR   9          HG23      THR   9  -4.279  10.692   8.300
   61    H    ASP  10           H        ASP  10  -4.854  13.705   4.048
   62    HA   ASP  10           HA       ASP  10  -7.376  15.034   4.169
   63    HB2  ASP  10           HB2      ASP  10  -5.591  14.432   1.779
   64    HB3  ASP  10           HB3      ASP  10  -6.899  15.617   1.803
   65    HA   PRO  11           HA       PRO  11 -10.239  11.994   3.036
   66    HB2  PRO  11           HB2      PRO  11 -12.090  13.348   1.519
   67    HB3  PRO  11           HB3      PRO  11 -11.873  13.601   3.285
   68    HG2  PRO  11           HG2      PRO  11 -10.683  15.215   1.011
   69    HG3  PRO  11           HG3      PRO  11 -11.564  15.819   2.456
   70    HD2  PRO  11           HD2      PRO  11  -8.867  15.776   2.402
   71    HD3  PRO  11           HD3      PRO  11  -9.733  15.285   3.889
   72    H    ARG  12           H        ARG  12  -8.151  13.199   0.680
   73    HA   ARG  12           HA       ARG  12  -9.093  11.110  -1.231
   74    HB2  ARG  12           HB2      ARG  12  -9.490  13.662  -1.762
   75    HB3  ARG  12           HB3      ARG  12  -7.785  13.643  -2.223
   76    HG2  ARG  12           HG2      ARG  12  -9.791  11.597  -3.255
   77    HG3  ARG  12           HG3      ARG  12  -9.650  13.189  -4.006
   78    HD2  ARG  12           HD2      ARG  12  -7.358  11.192  -3.786
   79    HD3  ARG  12           HD3      ARG  12  -8.353  11.474  -5.211
   80    HE   ARG  12           HE       ARG  12  -7.503  13.739  -5.363
   81   HH11  ARG  12          HH11      ARG  12  -5.710  11.586  -3.196
   82   HH12  ARG  12          HH12      ARG  12  -4.265  12.574  -3.240
   83   HH21  ARG  12          HH21      ARG  12  -5.590  14.969  -5.423
   84   HH22  ARG  12          HH22      ARG  12  -4.191  14.460  -4.508
   85    H    SER  13           H        SER  13  -6.446  12.735   0.448
   86    HA   SER  13           HA       SER  13  -4.388  11.368  -1.093
   87    HB2  SER  13           HB2      SER  13  -4.213  12.879   1.533
   88    HB3  SER  13           HB3      SER  13  -2.850  12.387   0.507
   89    HG   SER  13           HG       SER  13  -3.536  14.562   0.136
   90    H    MET  14           H        MET  14  -6.320  10.627   1.799
   91    HA   MET  14           HA       MET  14  -4.457   8.432   2.390
   92    HB2  MET  14           HB2      MET  14  -5.436   8.168   4.419
   93    HB3  MET  14           HB3      MET  14  -5.549   9.918   4.164
   94    HG2  MET  14           HG2      MET  14  -7.914   9.673   3.533
   95    HG3  MET  14           HG3      MET  14  -7.793   7.918   3.702
   96    HE1  MET  14           HE1      MET  14  -7.148   6.695   5.997
   97    HE2  MET  14           HE2      MET  14  -5.835   7.809   6.432
   98    HE3  MET  14           HE3      MET  14  -7.148   7.495   7.582
   99    H    ASN  15           H        ASN  15  -6.748   8.879   0.118
  100    HA   ASN  15           HA       ASN  15  -7.553   6.006   0.171
  101    HB2  ASN  15           HB2      ASN  15  -8.855   8.432  -1.120
  102    HB3  ASN  15           HB3      ASN  15  -9.346   6.763  -1.433
  103   HD21  ASN  15          HD21      ASN  15  -9.884   9.471   0.553
  104   HD22  ASN  15          HD22      ASN  15 -10.718   8.659   1.859
  105    H    SER  16           H        SER  16  -5.818   8.547  -1.598
  106    HA   SER  16           HA       SER  16  -5.246   6.731  -3.822
  107    HB2  SER  16           HB2      SER  16  -3.780   8.531  -4.593
  108    HB3  SER  16           HB3      SER  16  -5.402   9.152  -4.205
  109    HG   SER  16           HG       SER  16  -3.627  10.410  -3.364
  110    H    ARG  17           H        ARG  17  -4.369   6.722  -0.653
  111    HA   ARG  17           HA       ARG  17  -1.578   5.833  -1.140
  112    HB2  ARG  17           HB2      ARG  17  -2.019   7.422   0.694
  113    HB3  ARG  17           HB3      ARG  17  -3.074   6.205   1.465
  114    HG2  ARG  17           HG2      ARG  17  -1.257   4.698   1.816
  115    HG3  ARG  17           HG3      ARG  17  -0.198   5.594   0.696
  116    HD2  ARG  17           HD2      ARG  17   0.432   6.005   3.011
  117    HD3  ARG  17           HD3      ARG  17  -0.096   7.477   2.185
  118    HE   ARG  17           HE       ARG  17  -1.655   5.970   4.244
  119   HH11  ARG  17          HH11      ARG  17  -1.167   8.915   2.318
  120   HH12  ARG  17          HH12      ARG  17  -2.301   9.839   3.279
  121   HH21  ARG  17          HH21      ARG  17  -3.033   7.237   5.492
  122   HH22  ARG  17          HH22      ARG  17  -3.318   8.918   5.070
  123    H    VAL  18           H        VAL  18  -0.886   3.757  -0.528
  124    HA   VAL  18           HA       VAL  18  -3.037   1.744  -0.052
  125    HB   VAL  18           HB       VAL  18  -0.642   1.507  -1.908
  126   HG11  VAL  18          HG11      VAL  18  -2.795  -0.498  -1.109
  127   HG12  VAL  18          HG12      VAL  18  -1.621  -0.715  -2.428
  128   HG13  VAL  18          HG13      VAL  18  -1.057  -0.611  -0.748
  129   HG21  VAL  18          HG21      VAL  18  -2.446   2.801  -2.896
  130   HG22  VAL  18          HG22      VAL  18  -2.500   1.155  -3.584
  131   HG23  VAL  18          HG23      VAL  18  -3.656   1.627  -2.320
  132    H    PHE  19           H        PHE  19  -2.747   0.543   1.648
  133    HA   PHE  19           HA       PHE  19  -0.213   0.607   3.142
  134    HB2  PHE  19           HB2      PHE  19  -2.333   0.928   4.328
  135    HB3  PHE  19           HB3      PHE  19  -2.966  -0.567   3.658
  136    HD1  PHE  19           HD1      PHE  19   0.342   0.182   5.292
  137    HD2  PHE  19           HD2      PHE  19  -3.343  -2.033   5.399
  138    HE1  PHE  19           HE1      PHE  19   1.146  -1.067   7.281
  139    HE2  PHE  19           HE2      PHE  19  -2.546  -3.274   7.374
  140    HZ   PHE  19           HZ       PHE  19  -0.286  -2.825   8.305
  141    H    ILE  20           H        ILE  20   1.213  -1.048   3.211
  142    HA   ILE  20           HA       ILE  20   0.479  -3.598   1.834
  143    HB   ILE  20           HB       ILE  20   3.139  -2.148   1.916
  144   HG12  ILE  20          HG12      ILE  20   1.458  -2.775  -0.544
  145   HG13  ILE  20          HG11      ILE  20   1.280  -1.259   0.348
  146   HG21  ILE  20          HG21      ILE  20   2.358  -4.767   0.549
  147   HG22  ILE  20          HG22      ILE  20   3.923  -3.951   0.371
  148   HG23  ILE  20          HG23      ILE  20   3.438  -4.612   1.939
  149   HD11  ILE  20          HD11      ILE  20   3.864  -2.269  -0.917
  150   HD12  ILE  20          HD12      ILE  20   2.820  -0.968  -1.533
  151   HD13  ILE  20          HD13      ILE  20   3.677  -0.764   0.012
  152    H    GLY  21           H        GLY  21  -0.264  -4.375   3.842
  153    HA2  GLY  21           HA2      GLY  21   1.609  -4.589   6.090
  154    HA3  GLY  21           HA3      GLY  21  -0.044  -5.207   6.011
  155    H    ASN  22           H        ASN  22   1.665  -6.887   7.126
  156    HA   ASN  22           HA       ASN  22   2.764  -8.859   7.026
  157    HB2  ASN  22           HB2      ASN  22   0.397  -9.484   6.417
  158    HB3  ASN  22           HB3      ASN  22   0.870  -9.424   4.718
  159   HD21  ASN  22          HD21      ASN  22   0.237 -11.712   4.632
  160   HD22  ASN  22          HD22      ASN  22   1.379 -12.928   5.162
  161    H    LEU  23           H        LEU  23   4.301  -6.956   5.875
  162    HA   LEU  23           HA       LEU  23   5.331  -8.091   3.333
  163    HB2  LEU  23           HB2      LEU  23   4.777  -5.689   3.437
  164    HB3  LEU  23           HB3      LEU  23   5.889  -5.486   4.794
  165    HG   LEU  23           HG       LEU  23   7.795  -6.118   3.345
  166   HD11  LEU  23          HD11      LEU  23   7.473  -6.216   0.892
  167   HD12  LEU  23          HD12      LEU  23   6.666  -7.566   1.714
  168   HD13  LEU  23          HD13      LEU  23   5.714  -6.181   1.124
  169   HD21  LEU  23          HD21      LEU  23   7.036  -3.750   3.599
  170   HD22  LEU  23          HD22      LEU  23   7.800  -4.055   2.020
  171   HD23  LEU  23          HD23      LEU  23   6.028  -3.948   2.148
  172    H    ASN  24           H        ASN  24   7.506  -8.830   3.148
  173    HA   ASN  24           HA       ASN  24   8.516 -10.037   5.548
  174    HB2  ASN  24           HB2      ASN  24   8.746 -10.908   3.150
  175    HB3  ASN  24           HB3      ASN  24   9.939  -9.638   2.886
  176   HD21  ASN  24          HD21      ASN  24  11.804 -10.834   2.680
  177   HD22  ASN  24          HD22      ASN  24  12.430 -11.896   3.928
  178    H    THR  25           H        THR  25   9.403  -7.215   3.656
  179    HA   THR  25           HA       THR  25  10.798  -5.505   3.856
  180    HB   THR  25           HB       THR  25  10.881  -4.333   5.973
  181    HG1  THR  25           HG1      THR  25  11.139  -6.135   7.361
  182   HG21  THR  25          HG21      THR  25   8.200  -5.689   5.481
  183   HG22  THR  25          HG22      THR  25   8.448  -4.147   6.316
  184   HG23  THR  25          HG23      THR  25   8.848  -4.278   4.587
  185    H    LEU  26           H        LEU  26  11.983  -8.436   4.895
  186    HA   LEU  26           HA       LEU  26  14.615  -7.436   5.705
  187    HB2  LEU  26           HB2      LEU  26  13.378 -10.152   5.139
  188    HB3  LEU  26           HB3      LEU  26  15.073  -9.946   5.621
  189    HG   LEU  26           HG       LEU  26  12.700  -8.923   7.253
  190   HD11  LEU  26          HD11      LEU  26  14.308 -11.486   7.551
  191   HD12  LEU  26          HD12      LEU  26  13.062 -10.894   8.682
  192   HD13  LEU  26          HD13      LEU  26  12.615 -11.353   7.022
  193   HD21  LEU  26          HD21      LEU  26  14.808  -7.773   7.730
  194   HD22  LEU  26          HD22      LEU  26  14.385  -8.853   9.077
  195   HD23  LEU  26          HD23      LEU  26  15.646  -9.334   7.914
  196    H    VAL  27           H        VAL  27  12.962  -8.286   2.758
  197    HA   VAL  27           HA       VAL  27  15.582  -8.275   1.307
  198    HB   VAL  27           HB       VAL  27  13.030  -9.781   0.625
  199   HG11  VAL  27          HG11      VAL  27  14.423 -10.827  -1.153
  200   HG12  VAL  27          HG12      VAL  27  14.208  -9.090  -1.422
  201   HG13  VAL  27          HG13      VAL  27  15.745  -9.698  -0.770
  202   HG21  VAL  27          HG21      VAL  27  14.284 -10.793   2.508
  203   HG22  VAL  27          HG22      VAL  27  14.407 -11.790   1.047
  204   HG23  VAL  27          HG23      VAL  27  15.772 -10.757   1.532
  205    H    VAL  28           H        VAL  28  12.306  -6.955   1.507
  206    HA   VAL  28           HA       VAL  28  12.786  -5.438  -1.005
  207    HB   VAL  28           HB       VAL  28  10.264  -5.754   0.660
  208   HG11  VAL  28          HG11      VAL  28   9.150  -4.763  -1.332
  209   HG12  VAL  28          HG12      VAL  28  10.277  -3.623  -0.576
  210   HG13  VAL  28          HG13      VAL  28  10.737  -4.488  -2.071
  211   HG21  VAL  28          HG21      VAL  28  10.878  -7.855  -0.452
  212   HG22  VAL  28          HG22      VAL  28   9.513  -7.104  -1.305
  213   HG23  VAL  28          HG23      VAL  28  11.148  -6.989  -1.986
  214    H    LYS  29           H        LYS  29  12.739  -3.196  -1.073
  215    HA   LYS  29           HA       LYS  29  12.790  -1.735   1.527
  216    HB2  LYS  29           HB2      LYS  29  14.842  -1.391  -0.699
  217    HB3  LYS  29           HB3      LYS  29  14.741  -0.489   0.814
  218    HG2  LYS  29           HG2      LYS  29  16.374  -1.972   1.384
  219    HG3  LYS  29           HG3      LYS  29  14.963  -2.903   1.910
  220    HD2  LYS  29           HD2      LYS  29  15.018  -4.130  -0.284
  221    HD3  LYS  29           HD3      LYS  29  16.433  -3.161  -0.755
  222    HE2  LYS  29           HE2      LYS  29  17.681  -4.050   1.186
  223    HE3  LYS  29           HE3      LYS  29  16.269  -5.016   1.652
  224    HZ1  LYS  29           HZ1      LYS  29  17.772  -5.267  -0.871
  225    HZ2  LYS  29           HZ2      LYS  29  17.841  -6.311   0.397
  226    HZ3  LYS  29           HZ3      LYS  29  16.447  -6.151  -0.466
  227    H    LYS  30           H        LYS  30  12.849   0.670   1.083
  228    HA   LYS  30           HA       LYS  30  10.551   1.424  -0.437
  229    HB2  LYS  30           HB2      LYS  30  11.238   3.713   0.239
  230    HB3  LYS  30           HB3      LYS  30  11.204   2.552   1.575
  231    HG2  LYS  30           HG2      LYS  30  13.793   2.252   0.893
  232    HG3  LYS  30           HG3      LYS  30  13.563   3.898   0.283
  233    HD2  LYS  30           HD2      LYS  30  12.864   2.877   3.070
  234    HD3  LYS  30           HD3      LYS  30  14.335   3.782   2.675
  235    HE2  LYS  30           HE2      LYS  30  11.495   4.840   2.343
  236    HE3  LYS  30           HE3      LYS  30  12.578   5.221   3.688
  237    HZ1  LYS  30           HZ1      LYS  30  14.103   6.194   2.118
  238    HZ2  LYS  30           HZ2      LYS  30  13.107   5.838   0.856
  239    HZ3  LYS  30           HZ3      LYS  30  12.634   6.916   2.001
  240    H    SER  31           H        SER  31  13.701   0.734  -1.485
  241    HA   SER  31           HA       SER  31  13.496   2.504  -3.851
  242    HB2  SER  31           HB2      SER  31  15.705   0.613  -2.959
  243    HB3  SER  31           HB3      SER  31  15.789   1.749  -4.322
  244    HG   SER  31           HG       SER  31  15.538   3.448  -2.842
  245    H    ASP  32           H        ASP  32  12.308  -0.456  -2.899
  246    HA   ASP  32           HA       ASP  32  12.468  -1.625  -5.639
  247    HB2  ASP  32           HB2      ASP  32  12.146  -2.802  -2.852
  248    HB3  ASP  32           HB3      ASP  32  11.828  -3.727  -4.311
  249    H    VAL  33           H        VAL  33  10.359  -0.704  -2.897
  250    HA   VAL  33           HA       VAL  33   7.915  -1.716  -3.975
  251    HB   VAL  33           HB       VAL  33   8.535   0.622  -2.123
  252   HG11  VAL  33          HG11      VAL  33   5.876  -0.754  -2.679
  253   HG12  VAL  33          HG12      VAL  33   6.181   0.463  -1.422
  254   HG13  VAL  33          HG13      VAL  33   6.303   0.910  -3.138
  255   HG21  VAL  33          HG21      VAL  33   7.800  -0.980  -0.373
  256   HG22  VAL  33          HG22      VAL  33   7.580  -2.231  -1.619
  257   HG23  VAL  33          HG23      VAL  33   9.203  -1.605  -1.260
  258    H    GLU  34           H        GLU  34   9.792   1.245  -4.584
  259    HA   GLU  34           HA       GLU  34   7.689   2.433  -6.209
  260    HB2  GLU  34           HB2      GLU  34   9.290   4.189  -6.652
  261    HB3  GLU  34           HB3      GLU  34   9.228   3.830  -4.913
  262    HG2  GLU  34           HG2      GLU  34  11.293   2.496  -5.100
  263    HG3  GLU  34           HG3      GLU  34  11.341   2.785  -6.846
  264    H    ALA  35           H        ALA  35   9.357  -0.262  -6.815
  265    HA   ALA  35           HA       ALA  35   9.438   0.303  -9.740
  266    HB1  ALA  35           HB1      ALA  35  11.310  -1.473  -8.129
  267    HB2  ALA  35           HB2      ALA  35  11.330  -1.258  -9.896
  268    HB3  ALA  35           HB3      ALA  35  11.722   0.110  -8.833
  269    H    ILE  36           H        ILE  36   7.999  -1.419  -7.208
  270    HA   ILE  36           HA       ILE  36   7.164  -3.633  -9.031
  271    HB   ILE  36           HB       ILE  36   7.185  -3.401  -5.994
  272   HG12  ILE  36          HG12      ILE  36   8.758  -5.301  -7.779
  273   HG13  ILE  36          HG11      ILE  36   9.396  -3.734  -7.268
  274   HG21  ILE  36          HG21      ILE  36   6.312  -5.704  -7.791
  275   HG22  ILE  36          HG22      ILE  36   6.492  -5.794  -6.023
  276   HG23  ILE  36          HG23      ILE  36   5.266  -4.738  -6.725
  277   HD11  ILE  36          HD11      ILE  36  10.203  -5.452  -5.745
  278   HD12  ILE  36          HD12      ILE  36   9.084  -4.379  -4.884
  279   HD13  ILE  36          HD13      ILE  36   8.541  -5.995  -5.416
  280    H    PHE  37           H        PHE  37   6.078  -0.891  -7.083
  281    HA   PHE  37           HA       PHE  37   3.253  -1.592  -7.678
  282    HB2  PHE  37           HB2      PHE  37   4.557   0.264  -5.672
  283    HB3  PHE  37           HB3      PHE  37   2.830   0.265  -6.004
  284    HD1  PHE  37           HD1      PHE  37   5.622  -1.867  -4.792
  285    HD2  PHE  37           HD2      PHE  37   1.374  -1.317  -5.039
  286    HE1  PHE  37           HE1      PHE  37   5.290  -3.754  -3.204
  287    HE2  PHE  37           HE2      PHE  37   1.033  -3.192  -3.437
  288    HZ   PHE  37           HZ       PHE  37   3.000  -4.399  -2.512
  289    H    SER  38           H        SER  38   5.815   0.254  -8.921
  290    HA   SER  38           HA       SER  38   4.353   2.631  -9.671
  291    HB2  SER  38           HB2      SER  38   6.336   3.014 -11.119
  292    HB3  SER  38           HB3      SER  38   6.776   2.634  -9.439
  293    HG   SER  38           HG       SER  38   7.997   1.446 -10.986
  294    H    LYS  39           H        LYS  39   4.392  -0.587 -10.855
  295    HA   LYS  39           HA       LYS  39   3.699   0.083 -13.607
  296    HB2  LYS  39           HB2      LYS  39   3.591  -2.328 -13.896
  297    HB3  LYS  39           HB3      LYS  39   5.048  -1.880 -12.982
  298    HG2  LYS  39           HG2      LYS  39   3.623  -2.290 -10.854
  299    HG3  LYS  39           HG3      LYS  39   2.488  -3.124 -11.930
  300    HD2  LYS  39           HD2      LYS  39   5.450  -3.745 -11.592
  301    HD3  LYS  39           HD3      LYS  39   4.130  -4.682 -10.877
  302    HE2  LYS  39           HE2      LYS  39   4.587  -4.297 -13.867
  303    HE3  LYS  39           HE3      LYS  39   5.039  -5.731 -12.940
  304    HZ1  LYS  39           HZ1      LYS  39   2.933  -6.038 -14.014
  305    HZ2  LYS  39           HZ2      LYS  39   2.720  -6.034 -12.387
  306    HZ3  LYS  39           HZ3      LYS  39   2.298  -4.715 -13.276
  307    H    TYR  40           H        TYR  40   1.957  -0.006 -10.668
  308    HA   TYR  40           HA       TYR  40  -0.596  -0.519 -12.120
  309    HB2  TYR  40           HB2      TYR  40  -0.020  -0.471  -9.144
  310    HB3  TYR  40           HB3      TYR  40  -1.568  -0.862  -9.904
  311    HD1  TYR  40           HD1      TYR  40  -1.707  -2.883 -11.456
  312    HD2  TYR  40           HD2      TYR  40   1.638  -2.139  -8.854
  313    HE1  TYR  40           HE1      TYR  40  -0.981  -5.237 -11.722
  314    HE2  TYR  40           HE2      TYR  40   2.381  -4.489  -9.132
  315    HH   TYR  40           HH       TYR  40   0.579  -6.822 -11.177
  316    H    GLY  41           H        GLY  41   1.368   1.974 -10.757
  317    HA2  GLY  41           HA2      GLY  41  -0.340   3.990 -11.813
  318    HA3  GLY  41           HA3      GLY  41  -0.574   3.902 -10.055
  319    H    LYS  42           H        LYS  42   0.425   6.190 -11.350
  320    HA   LYS  42           HA       LYS  42   3.307   6.302 -11.173
  321    HB2  LYS  42           HB2      LYS  42   2.139   7.782 -12.669
  322    HB3  LYS  42           HB3      LYS  42   1.084   8.370 -11.372
  323    HG2  LYS  42           HG2      LYS  42   2.965   9.438 -10.247
  324    HG3  LYS  42           HG3      LYS  42   4.103   8.796 -11.455
  325    HD2  LYS  42           HD2      LYS  42   3.099  10.108 -13.211
  326    HD3  LYS  42           HD3      LYS  42   1.733  10.571 -12.169
  327    HE2  LYS  42           HE2      LYS  42   3.232  11.778 -10.670
  328    HE3  LYS  42           HE3      LYS  42   4.640  11.287 -11.634
  329    HZ1  LYS  42           HZ1      LYS  42   2.414  12.963 -12.589
  330    HZ2  LYS  42           HZ2      LYS  42   3.908  13.511 -12.176
  331    HZ3  LYS  42           HZ3      LYS  42   3.725  12.519 -13.475
  332    H    ILE  43           H        ILE  43   4.374   6.160  -9.304
  333    HA   ILE  43           HA       ILE  43   3.023   6.728  -6.773
  334    HB   ILE  43           HB       ILE  43   5.798   5.709  -7.469
  335   HG12  ILE  43          HG12      ILE  43   3.300   4.359  -6.359
  336   HG13  ILE  43          HG11      ILE  43   3.883   4.222  -8.028
  337   HG21  ILE  43          HG21      ILE  43   5.773   6.892  -5.265
  338   HG22  ILE  43          HG22      ILE  43   4.422   5.853  -4.752
  339   HG23  ILE  43          HG23      ILE  43   6.024   5.151  -5.089
  340   HD11  ILE  43          HD11      ILE  43   4.526   2.252  -6.762
  341   HD12  ILE  43          HD12      ILE  43   5.970   3.179  -7.219
  342   HD13  ILE  43          HD13      ILE  43   5.348   3.238  -5.544
  343    H    VAL  44           H        VAL  44   3.180   8.518  -5.605
  344    HA   VAL  44           HA       VAL  44   5.104  10.617  -6.491
  345    HB   VAL  44           HB       VAL  44   3.545  12.231  -5.497
  346   HG11  VAL  44          HG11      VAL  44   2.171  10.322  -7.434
  347   HG12  VAL  44          HG12      VAL  44   1.765  12.034  -7.162
  348   HG13  VAL  44          HG13      VAL  44   3.331  11.595  -7.880
  349   HG21  VAL  44          HG21      VAL  44   2.530  10.778  -3.757
  350   HG22  VAL  44          HG22      VAL  44   1.297  11.532  -4.784
  351   HG23  VAL  44          HG23      VAL  44   1.721   9.828  -5.026
  352    H    GLY  45           H        GLY  45   4.509   8.333  -4.077
  353    HA2  GLY  45           HA2      GLY  45   6.698   9.274  -2.473
  354    HA3  GLY  45           HA3      GLY  45   5.146   9.526  -1.647
  355    H    CYS  46           H        CYS  46   7.415   7.644  -1.048
  356    HA   CYS  46           HA       CYS  46   5.761   5.248  -0.688
  357    HB2  CYS  46           HB2      CYS  46   7.357   3.742  -1.705
  358    HB3  CYS  46           HB3      CYS  46   6.907   4.971  -2.914
  359    HG   CYS  46           HG       CYS  46   9.474   4.367  -3.081
  360    H    SER  47           H        SER  47   6.563   3.860   0.977
  361    HA   SER  47           HA       SER  47   9.089   4.519   2.277
  362    HB2  SER  47           HB2      SER  47   8.104   5.016   4.470
  363    HB3  SER  47           HB3      SER  47   7.575   6.205   3.265
  364    HG   SER  47           HG       SER  47   5.725   5.641   4.177
  365    H    VAL  48           H        VAL  48   9.820   2.856   3.607
  366    HA   VAL  48           HA       VAL  48   8.012   0.501   3.907
  367    HB   VAL  48           HB       VAL  48  10.974   0.489   3.247
  368   HG11  VAL  48          HG11      VAL  48   9.046  -1.796   3.847
  369   HG12  VAL  48          HG12      VAL  48  10.692  -1.985   3.190
  370   HG13  VAL  48          HG13      VAL  48  10.466  -1.332   4.815
  371   HG21  VAL  48          HG21      VAL  48   9.509   0.927   1.317
  372   HG22  VAL  48          HG22      VAL  48  10.168  -0.723   1.230
  373   HG23  VAL  48          HG23      VAL  48   8.490  -0.465   1.756
  374    H    HIS  49           H        HIS  49   8.166  -0.619   5.813
  375    HA   HIS  49           HA       HIS  49   9.739   0.626   8.005
  376    HB2  HIS  49           HB2      HIS  49   6.803  -0.159   8.107
  377    HB3  HIS  49           HB3      HIS  49   7.742   0.584   9.410
  378    HD2  HIS  49           HD2      HIS  49   6.266   1.448   5.914
  379    HE1  HIS  49           HE1      HIS  49   6.971   5.124   7.929
  380    HE2  HIS  49           HE2      HIS  49   5.992   4.046   5.837
  381    H    LYS  50           H        LYS  50   8.740  -1.084  10.042
  382    HA   LYS  50           HA       LYS  50   9.890  -3.646   9.137
  383    HB2  LYS  50           HB2      LYS  50   9.040  -2.679  11.901
  384    HB3  LYS  50           HB3      LYS  50   9.853  -4.215  11.546
  385    HG2  LYS  50           HG2      LYS  50  11.788  -2.978  10.616
  386    HG3  LYS  50           HG3      LYS  50  10.973  -1.436  10.987
  387    HD2  LYS  50           HD2      LYS  50  10.914  -2.062  13.388
  388    HD3  LYS  50           HD3      LYS  50  11.783  -3.561  13.004
  389    HE2  LYS  50           HE2      LYS  50  13.675  -2.232  12.096
  390    HE3  LYS  50           HE3      LYS  50  12.803  -0.735  12.459
  391    HZ1  LYS  50           HZ1      LYS  50  12.871  -1.323  14.781
  392    HZ2  LYS  50           HZ2      LYS  50  13.668  -2.721  14.451
  393    HZ3  LYS  50           HZ3      LYS  50  14.393  -1.274  14.164
  394    H    GLY  51           H        GLY  51   8.608  -5.125   8.276
  395    HA2  GLY  51           HA2      GLY  51   6.919  -6.693   8.223
  396    HA3  GLY  51           HA3      GLY  51   6.155  -5.918   9.621
  397    H    PHE  52           H        PHE  52   6.517  -3.310   7.670
  398    HA   PHE  52           HA       PHE  52   4.362  -3.922   5.772
  399    HB2  PHE  52           HB2      PHE  52   2.889  -2.167   6.538
  400    HB3  PHE  52           HB3      PHE  52   3.108  -3.360   7.809
  401    HD1  PHE  52           HD1      PHE  52   4.520  -2.831   9.802
  402    HD2  PHE  52           HD2      PHE  52   3.567   0.117   6.819
  403    HE1  PHE  52           HE1      PHE  52   5.185  -1.030  11.370
  404    HE2  PHE  52           HE2      PHE  52   4.244   1.914   8.376
  405    HZ   PHE  52           HZ       PHE  52   5.059   1.341  10.660
  406    H    ALA  53           H        ALA  53   3.792  -1.948   4.455
  407    HA   ALA  53           HA       ALA  53   5.841   0.165   4.332
  408    HB1  ALA  53           HB1      ALA  53   5.261  -1.751   2.036
  409    HB2  ALA  53           HB2      ALA  53   6.188  -0.246   1.892
  410    HB3  ALA  53           HB3      ALA  53   6.798  -1.563   2.911
  411    H    PHE  54           H        PHE  54   5.167   1.762   2.529
  412    HA   PHE  54           HA       PHE  54   2.242   1.828   2.075
  413    HB2  PHE  54           HB2      PHE  54   3.900   3.806   3.629
  414    HB3  PHE  54           HB3      PHE  54   2.572   4.396   2.638
  415    HD1  PHE  54           HD1      PHE  54   0.249   3.438   2.951
  416    HD2  PHE  54           HD2      PHE  54   3.417   2.924   5.821
  417    HE1  PHE  54           HE1      PHE  54  -1.423   2.960   4.716
  418    HE2  PHE  54           HE2      PHE  54   1.745   2.422   7.571
  419    HZ   PHE  54           HZ       PHE  54  -0.678   2.468   7.027
  420    H    VAL  55           H        VAL  55   1.616   2.982   0.273
  421    HA   VAL  55           HA       VAL  55   3.716   4.228  -1.428
  422    HB   VAL  55           HB       VAL  55   1.710   2.110  -2.318
  423   HG11  VAL  55          HG11      VAL  55   3.681   3.799  -3.914
  424   HG12  VAL  55          HG12      VAL  55   2.769   2.413  -4.554
  425   HG13  VAL  55          HG13      VAL  55   1.905   3.869  -4.030
  426   HG21  VAL  55          HG21      VAL  55   3.740   1.191  -1.254
  427   HG22  VAL  55          HG22      VAL  55   3.751   0.885  -3.005
  428   HG23  VAL  55          HG23      VAL  55   4.750   2.192  -2.323
  429    H    GLN  56           H        GLN  56   3.019   6.015  -2.507
  430    HA   GLN  56           HA       GLN  56   0.176   6.797  -2.068
  431    HB2  GLN  56           HB2      GLN  56   1.950   8.005  -0.708
  432    HB3  GLN  56           HB3      GLN  56   2.666   8.543  -2.231
  433    HG2  GLN  56           HG2      GLN  56   1.348  10.355  -1.481
  434    HG3  GLN  56           HG3      GLN  56   0.404   9.612  -2.779
  435   HE21  GLN  56          HE21      GLN  56  -1.730   9.294  -2.324
  436   HE22  GLN  56          HE22      GLN  56  -2.387   9.121  -0.716
  437    H    TYR  57           H        TYR  57  -0.977   7.296  -3.870
  438    HA   TYR  57           HA       TYR  57   0.506   7.493  -6.450
  439    HB2  TYR  57           HB2      TYR  57  -2.309   6.558  -5.832
  440    HB3  TYR  57           HB3      TYR  57  -1.637   6.787  -7.451
  441    HD1  TYR  57           HD1      TYR  57   0.785   5.614  -7.756
  442    HD2  TYR  57           HD2      TYR  57  -2.357   4.322  -5.106
  443    HE1  TYR  57           HE1      TYR  57   1.743   3.315  -7.737
  444    HE2  TYR  57           HE2      TYR  57  -1.381   2.049  -5.065
  445    HH   TYR  57           HH       TYR  57   0.311   0.702  -5.774
  446    H    VAL  58           H        VAL  58  -0.958   8.667  -8.142
  447    HA   VAL  58           HA       VAL  58  -1.261  11.396  -7.250
  448    HB   VAL  58           HB       VAL  58  -1.919   9.958  -9.851
  449   HG11  VAL  58          HG11      VAL  58  -1.869  12.946  -9.232
  450   HG12  VAL  58          HG12      VAL  58  -1.982  12.238 -10.857
  451   HG13  VAL  58          HG13      VAL  58  -3.296  11.985  -9.696
  452   HG21  VAL  58          HG21      VAL  58   0.472  10.018  -9.286
  453   HG22  VAL  58          HG22      VAL  58   0.121  11.096 -10.656
  454   HG23  VAL  58          HG23      VAL  58   0.375  11.781  -9.035
  455    H    ASN  59           H        ASN  59  -3.486   8.654  -7.784
  456    HA   ASN  59           HA       ASN  59  -5.517  10.146  -6.326
  457    HB2  ASN  59           HB2      ASN  59  -7.135  10.362  -7.926
  458    HB3  ASN  59           HB3      ASN  59  -5.676  10.758  -8.860
  459   HD21  ASN  59          HD21      ASN  59  -4.642   8.496  -9.795
  460   HD22  ASN  59          HD22      ASN  59  -5.828   7.544 -10.651
  461    H    GLU  60           H        GLU  60  -7.581   8.795  -6.098
  462    HA   GLU  60           HA       GLU  60  -6.925   6.367  -4.845
  463    HB2  GLU  60           HB2      GLU  60  -8.858   7.779  -4.318
  464    HB3  GLU  60           HB3      GLU  60  -9.581   7.394  -5.889
  465    HG2  GLU  60           HG2      GLU  60  -9.676   4.996  -5.260
  466    HG3  GLU  60           HG3      GLU  60  -8.941   5.374  -3.692
  467    H    ARG  61           H        ARG  61  -7.925   6.962  -8.248
  468    HA   ARG  61           HA       ARG  61  -8.733   4.314  -8.862
  469    HB2  ARG  61           HB2      ARG  61  -9.151   6.108 -10.407
  470    HB3  ARG  61           HB3      ARG  61  -7.426   6.507 -10.501
  471    HG2  ARG  61           HG2      ARG  61  -8.262   5.316 -12.512
  472    HG3  ARG  61           HG3      ARG  61  -6.914   4.496 -11.708
  473    HD2  ARG  61           HD2      ARG  61  -8.434   2.912 -10.662
  474    HD3  ARG  61           HD3      ARG  61  -9.846   3.799 -11.296
  475    HE   ARG  61           HE       ARG  61  -8.235   3.093 -13.499
  476   HH11  ARG  61          HH11      ARG  61 -10.118   1.465 -10.992
  477   HH12  ARG  61          HH12      ARG  61 -10.468   0.073 -11.990
  478   HH21  ARG  61          HH21      ARG  61  -8.685   1.262 -14.775
  479   HH22  ARG  61          HH22      ARG  61  -9.647  -0.046 -14.127
  480    H    ASN  62           H        ASN  62  -5.486   5.824  -8.754
  481    HA   ASN  62           HA       ASN  62  -4.165   3.490  -9.839
  482    HB2  ASN  62           HB2      ASN  62  -3.288   5.986  -8.381
  483    HB3  ASN  62           HB3      ASN  62  -2.133   4.707  -8.825
  484   HD21  ASN  62          HD21      ASN  62  -2.772   3.889 -11.275
  485   HD22  ASN  62          HD22      ASN  62  -2.787   5.208 -12.430
  486    H    ALA  63           H        ALA  63  -5.276   4.421  -6.642
  487    HA   ALA  63           HA       ALA  63  -3.595   2.497  -5.246
  488    HB1  ALA  63           HB1      ALA  63  -6.106   3.996  -4.383
  489    HB2  ALA  63           HB2      ALA  63  -5.007   3.097  -3.310
  490    HB3  ALA  63           HB3      ALA  63  -4.433   4.550  -4.159
  491    H    ARG  64           H        ARG  64  -6.893   2.565  -6.579
  492    HA   ARG  64           HA       ARG  64  -7.697   0.010  -5.490
  493    HB2  ARG  64           HB2      ARG  64  -8.627   1.498  -7.986
  494    HB3  ARG  64           HB3      ARG  64  -9.459   0.119  -7.261
  495    HG2  ARG  64           HG2      ARG  64  -8.999   2.791  -5.870
  496    HG3  ARG  64           HG3      ARG  64 -10.486   2.313  -6.705
  497    HD2  ARG  64           HD2      ARG  64 -10.749   0.419  -5.127
  498    HD3  ARG  64           HD3      ARG  64  -9.282   0.941  -4.271
  499    HE   ARG  64           HE       ARG  64 -11.049   3.159  -4.468
  500   HH11  ARG  64          HH11      ARG  64 -10.885   0.044  -2.788
  501   HH12  ARG  64          HH12      ARG  64 -11.846   0.625  -1.439
  502   HH21  ARG  64          HH21      ARG  64 -12.272   3.839  -2.748
  503   HH22  ARG  64          HH22      ARG  64 -12.630   2.765  -1.410
  504    H    ALA  65           H        ALA  65  -5.725   0.985  -8.244
  505    HA   ALA  65           HA       ALA  65  -5.995  -1.588  -9.601
  506    HB1  ALA  65           HB1      ALA  65  -4.085   0.743 -10.013
  507    HB2  ALA  65           HB2      ALA  65  -4.335  -0.621 -11.136
  508    HB3  ALA  65           HB3      ALA  65  -5.652   0.533 -10.821
  509    H    ALA  66           H        ALA  66  -3.688  -0.058  -7.328
  510    HA   ALA  66           HA       ALA  66  -1.789  -2.252  -7.614
  511    HB1  ALA  66           HB1      ALA  66  -0.599  -1.079  -5.835
  512    HB2  ALA  66           HB2      ALA  66  -1.116   0.053  -7.118
  513    HB3  ALA  66           HB3      ALA  66  -2.003  -0.011  -5.574
  514    H    VAL  67           H        VAL  67  -4.387  -1.322  -5.318
  515    HA   VAL  67           HA       VAL  67  -3.893  -3.401  -3.413
  516    HB   VAL  67           HB       VAL  67  -6.365  -1.837  -4.220
  517   HG11  VAL  67          HG11      VAL  67  -6.020  -3.827  -1.934
  518   HG12  VAL  67          HG12      VAL  67  -7.368  -2.672  -2.075
  519   HG13  VAL  67          HG13      VAL  67  -7.168  -3.946  -3.290
  520   HG21  VAL  67          HG21      VAL  67  -4.467  -0.637  -3.069
  521   HG22  VAL  67          HG22      VAL  67  -5.959  -0.667  -2.105
  522   HG23  VAL  67          HG23      VAL  67  -4.615  -1.771  -1.716
  523    H    ALA  68           H        ALA  68  -5.633  -3.323  -6.531
  524    HA   ALA  68           HA       ALA  68  -6.497  -6.114  -6.115
  525    HB1  ALA  68           HB1      ALA  68  -6.950  -4.204  -8.438
  526    HB2  ALA  68           HB2      ALA  68  -7.712  -5.794  -8.222
  527    HB3  ALA  68           HB3      ALA  68  -8.069  -4.483  -7.082
  528    H    GLY  69           H        GLY  69  -3.706  -4.553  -7.272
  529    HA2  GLY  69           HA2      GLY  69  -3.145  -6.681  -9.272
  530    HA3  GLY  69           HA3      GLY  69  -2.339  -5.122  -9.135
  531    H    GLU  70           H        GLU  70  -2.366  -5.912  -5.980
  532    HA   GLU  70           HA       GLU  70   0.096  -7.617  -6.144
  533    HB2  GLU  70           HB2      GLU  70  -0.249  -4.882  -4.897
  534    HB3  GLU  70           HB3      GLU  70   1.032  -5.991  -4.390
  535    HG2  GLU  70           HG2      GLU  70   0.654  -5.196  -7.293
  536    HG3  GLU  70           HG3      GLU  70   1.661  -4.275  -6.172
  537    H    ASP  71           H        ASP  71  -2.843  -6.713  -4.387
  538    HA   ASP  71           HA       ASP  71  -2.085  -7.792  -1.860
  539    HB2  ASP  71           HB2      ASP  71  -4.091  -6.408  -2.232
  540    HB3  ASP  71           HB3      ASP  71  -4.799  -7.689  -3.225
  541    H    GLY  72           H        GLY  72  -1.405  -9.825  -1.420
  542    HA2  GLY  72           HA2      GLY  72  -1.664 -12.138  -1.246
  543    HA3  GLY  72           HA3      GLY  72  -2.906 -12.105  -2.518
  544    H    ARG  73           H        ARG  73  -0.189 -10.244  -3.424
  545    HA   ARG  73           HA       ARG  73   0.825 -12.283  -5.240
  546    HB2  ARG  73           HB2      ARG  73   2.223 -10.609  -6.085
  547    HB3  ARG  73           HB3      ARG  73   0.717  -9.780  -5.679
  548    HG2  ARG  73           HG2      ARG  73   2.039  -8.312  -4.552
  549    HG3  ARG  73           HG3      ARG  73   2.155  -9.577  -3.312
  550    HD2  ARG  73           HD2      ARG  73   4.381  -8.828  -3.898
  551    HD3  ARG  73           HD3      ARG  73   4.190 -10.463  -4.570
  552    HE   ARG  73           HE       ARG  73   3.624  -8.075  -6.255
  553   HH11  ARG  73          HH11      ARG  73   5.677 -10.923  -5.687
  554   HH12  ARG  73          HH12      ARG  73   6.424 -10.807  -7.259
  555   HH21  ARG  73          HH21      ARG  73   4.606  -7.982  -8.258
  556   HH22  ARG  73          HH22      ARG  73   5.842  -9.143  -8.701
  557    H    MET  74           H        MET  74   3.360 -12.659  -5.100
  558    HA   MET  74           HA       MET  74   3.920 -13.244  -2.222
  559    HB2  MET  74           HB2      MET  74   3.388 -15.195  -3.661
  560    HB3  MET  74           HB3      MET  74   4.818 -14.840  -4.649
  561    HG2  MET  74           HG2      MET  74   6.301 -15.260  -2.850
  562    HG3  MET  74           HG3      MET  74   5.017 -15.119  -1.643
  563    HE1  MET  74           HE1      MET  74   3.368 -16.897  -0.948
  564    HE2  MET  74           HE2      MET  74   2.650 -16.802  -2.568
  565    HE3  MET  74           HE3      MET  74   3.033 -18.387  -1.861
  566    H    ILE  75           H        ILE  75   5.550 -12.179  -1.384
  567    HA   ILE  75           HA       ILE  75   7.795 -11.401  -3.171
  568    HB   ILE  75           HB       ILE  75   5.914  -9.679  -1.791
  569   HG12  ILE  75          HG12      ILE  75   8.288  -9.212  -3.636
  570   HG13  ILE  75          HG11      ILE  75   6.627  -9.577  -4.135
  571   HG21  ILE  75          HG21      ILE  75   8.842  -9.238  -1.092
  572   HG22  ILE  75          HG22      ILE  75   7.493  -8.107  -0.780
  573   HG23  ILE  75          HG23      ILE  75   7.537  -9.663   0.042
  574   HD11  ILE  75          HD11      ILE  75   5.850  -7.448  -3.121
  575   HD12  ILE  75          HD12      ILE  75   7.525  -7.073  -2.630
  576   HD13  ILE  75          HD13      ILE  75   7.089  -7.175  -4.346
  577    H    ALA  76           H        ALA  76   9.799 -11.663  -2.371
  578    HA   ALA  76           HA       ALA  76  11.375 -12.772  -1.200
  579    HB1  ALA  76           HB1      ALA  76   9.907 -11.708   1.226
  580    HB2  ALA  76           HB2      ALA  76  11.620 -12.207   1.129
  581    HB3  ALA  76           HB3      ALA  76  11.050 -10.770   0.240
  582    H    GLY  77           H        GLY  77   8.658 -14.142  -1.716
  583    HA2  GLY  77           HA2      GLY  77   8.177 -16.412  -1.570
  584    HA3  GLY  77           HA3      GLY  77   9.308 -16.577  -0.206
  585    H    GLN  78           H        GLN  78   7.352 -13.861   0.369
  586    HA   GLN  78           HA       GLN  78   5.371 -15.480   1.893
  587    HB2  GLN  78           HB2      GLN  78   7.061 -14.698   3.399
  588    HB3  GLN  78           HB3      GLN  78   7.047 -13.085   2.684
  589    HG2  GLN  78           HG2      GLN  78   4.372 -13.717   3.598
  590    HG3  GLN  78           HG3      GLN  78   5.530 -14.051   4.895
  591   HE21  GLN  78          HE21      GLN  78   5.223 -11.597   2.258
  592   HE22  GLN  78          HE22      GLN  78   5.420 -10.211   3.316
  593    H    VAL  79           H        VAL  79   3.311 -14.966   1.608
  594    HA   VAL  79           HA       VAL  79   2.439 -13.235  -0.486
  595    HB   VAL  79           HB       VAL  79   0.901 -14.425   1.859
  596   HG11  VAL  79          HG11      VAL  79  -1.025 -14.282   0.277
  597   HG12  VAL  79          HG12      VAL  79  -0.376 -12.682   0.680
  598   HG13  VAL  79          HG13      VAL  79   0.020 -13.439  -0.888
  599   HG21  VAL  79          HG21      VAL  79   2.073 -16.175   0.593
  600   HG22  VAL  79          HG22      VAL  79   0.335 -16.230   0.263
  601   HG23  VAL  79          HG23      VAL  79   1.444 -15.508  -0.933
  602    H    LEU  80           H        LEU  80   1.645 -11.180  -0.507
  603    HA   LEU  80           HA       LEU  80   2.015  -9.600   1.972
  604    HB2  LEU  80           HB2      LEU  80   1.361  -8.648  -0.842
  605    HB3  LEU  80           HB3      LEU  80   1.826  -7.656   0.545
  606    HG   LEU  80           HG       LEU  80   3.570  -9.666  -0.934
  607   HD11  LEU  80          HD11      LEU  80   3.679  -6.652  -0.501
  608   HD12  LEU  80          HD12      LEU  80   4.944  -7.604  -1.293
  609   HD13  LEU  80          HD13      LEU  80   3.325  -7.491  -2.035
  610   HD21  LEU  80          HD21      LEU  80   4.056  -9.813   1.476
  611   HD22  LEU  80          HD22      LEU  80   5.366  -8.979   0.625
  612   HD23  LEU  80          HD23      LEU  80   4.175  -8.034   1.560
  613    H    ASP  81           H        ASP  81   0.407  -8.103   2.704
  614    HA   ASP  81           HA       ASP  81  -2.368  -8.748   1.824
  615    HB2  ASP  81           HB2      ASP  81  -1.885  -9.645   4.094
  616    HB3  ASP  81           HB3      ASP  81  -1.444  -8.020   4.632
  617    H    ILE  82           H        ILE  82  -2.849  -7.077   0.527
  618    HA   ILE  82           HA       ILE  82  -1.899  -4.358   1.310
  619    HB   ILE  82           HB       ILE  82  -2.176  -5.678  -1.386
  620   HG12  ILE  82          HG12      ILE  82   0.234  -4.375  -0.072
  621   HG13  ILE  82          HG11      ILE  82  -0.160  -6.066   0.256
  622   HG21  ILE  82          HG21      ILE  82  -1.422  -2.802  -0.696
  623   HG22  ILE  82          HG22      ILE  82  -1.348  -3.530  -2.316
  624   HG23  ILE  82          HG23      ILE  82  -2.915  -3.308  -1.530
  625   HD11  ILE  82          HD11      ILE  82   0.296  -4.946  -2.522
  626   HD12  ILE  82          HD12      ILE  82   1.485  -5.856  -1.552
  627   HD13  ILE  82          HD13      ILE  82  -0.020  -6.648  -2.068
  628    H    ASN  83           H        ASN  83  -3.342  -2.687   1.274
  629    HA   ASN  83           HA       ASN  83  -5.979  -2.922   0.058
  630    HB2  ASN  83           HB2      ASN  83  -7.183  -2.604   2.214
  631    HB3  ASN  83           HB3      ASN  83  -6.404  -4.188   2.080
  632   HD21  ASN  83          HD21      ASN  83  -6.087  -0.927   3.556
  633   HD22  ASN  83          HD22      ASN  83  -5.099  -1.456   4.891
  634    H    LEU  84           H        LEU  84  -7.260  -0.856   0.437
  635    HA   LEU  84           HA       LEU  84  -5.662   1.455   0.100
  636    HB2  LEU  84           HB2      LEU  84  -8.359   0.776  -0.129
  637    HB3  LEU  84           HB3      LEU  84  -8.346   1.852   1.278
  638    HG   LEU  84           HG       LEU  84  -6.967   3.468  -0.170
  639   HD11  LEU  84          HD11      LEU  84  -6.320   1.843  -1.925
  640   HD12  LEU  84          HD12      LEU  84  -8.032   1.578  -2.322
  641   HD13  LEU  84          HD13      LEU  84  -7.293   3.162  -2.630
  642   HD21  LEU  84          HD21      LEU  84  -9.016   4.290  -1.334
  643   HD22  LEU  84          HD22      LEU  84  -9.818   2.744  -0.979
  644   HD23  LEU  84          HD23      LEU  84  -9.346   3.828   0.349
  645    H    ALA  85           H        ALA  85  -5.049   3.114   1.571
  646    HA   ALA  85           HA       ALA  85  -4.499   2.249   4.221
  647    HB1  ALA  85           HB1      ALA  85  -4.406   5.042   3.018
  648    HB2  ALA  85           HB2      ALA  85  -3.616   4.525   4.522
  649    HB3  ALA  85           HB3      ALA  85  -3.096   3.835   2.968
  650    H    ALA  86           H        ALA  86  -7.500   3.012   3.090
  651    HA   ALA  86           HA       ALA  86  -8.380   3.817   5.806
  652    HB1  ALA  86           HB1      ALA  86  -8.293   5.843   4.367
  653    HB2  ALA  86           HB2      ALA  86  -9.364   5.040   3.194
  654    HB3  ALA  86           HB3      ALA  86  -9.960   5.430   4.822
  655    H    GLU  87           H        GLU  87  -8.437   1.450   3.574
  656    HA   GLU  87           HA       GLU  87 -11.118   0.540   4.429
  657    HB2  GLU  87           HB2      GLU  87 -10.182   0.621   1.533
  658    HB3  GLU  87           HB3      GLU  87 -11.609  -0.236   2.132
  659    HG2  GLU  87           HG2      GLU  87 -12.552   1.916   2.951
  660    HG3  GLU  87           HG3      GLU  87 -11.152   2.766   2.272
  661    HA   PRO  88           HA       PRO  88  -7.784  -2.721   4.625
  662    HB2  PRO  88           HB2      PRO  88  -8.085  -3.379   7.265
  663    HB3  PRO  88           HB3      PRO  88  -7.047  -2.044   6.704
  664    HG2  PRO  88           HG2      PRO  88  -9.897  -1.859   7.724
  665    HG3  PRO  88           HG3      PRO  88  -8.475  -0.868   8.206
  666    HD2  PRO  88           HD2      PRO  88 -10.280  -0.004   6.365
  667    HD3  PRO  88           HD3      PRO  88  -8.540   0.375   6.200
  668    H    LYS  89           H        LYS  89  -8.346  -4.934   4.388
  669    HA   LYS  89           HA       LYS  89 -10.936  -5.278   3.365
  670    HB2  LYS  89           HB2      LYS  89 -10.292  -7.786   3.474
  671    HB3  LYS  89           HB3      LYS  89  -9.413  -6.688   2.403
  672    HG2  LYS  89           HG2      LYS  89  -7.526  -6.585   3.883
  673    HG3  LYS  89           HG3      LYS  89  -8.406  -7.387   5.196
  674    HD2  LYS  89           HD2      LYS  89  -6.900  -8.979   4.142
  675    HD3  LYS  89           HD3      LYS  89  -8.585  -9.440   3.880
  676    HE2  LYS  89           HE2      LYS  89  -7.391  -9.783   1.821
  677    HE3  LYS  89           HE3      LYS  89  -8.475  -8.406   1.591
  678    HZ1  LYS  89           HZ1      LYS  89  -5.603  -8.228   2.218
  679    HZ2  LYS  89           HZ2      LYS  89  -6.249  -8.026   0.725
  680    HZ3  LYS  89           HZ3      LYS  89  -6.599  -6.951   1.924
  681    H    VAL  90           H        VAL  90  -9.686  -7.035   6.270
  682    HA   VAL  90           HA       VAL  90 -12.343  -6.672   7.521
  683    HB   VAL  90           HB       VAL  90 -11.068  -9.396   7.053
  684   HG11  VAL  90          HG11      VAL  90 -13.063 -10.260   8.245
  685   HG12  VAL  90          HG12      VAL  90 -12.091  -9.206   9.295
  686   HG13  VAL  90          HG13      VAL  90 -13.592  -8.596   8.565
  687   HG21  VAL  90          HG21      VAL  90 -12.270  -8.624   5.059
  688   HG22  VAL  90          HG22      VAL  90 -13.174  -9.917   5.862
  689   HG23  VAL  90          HG23      VAL  90 -13.697  -8.230   6.051
  690    H    ASN  91           H        ASN  91  -8.978  -7.842   7.680
  691    HA   ASN  91           HA       ASN  91  -8.958  -7.215  10.585
  692    HB2  ASN  91           HB2      ASN  91  -7.612  -9.562   9.201
  693    HB3  ASN  91           HB3      ASN  91  -7.480  -9.157  10.918
  694   HD21  ASN  91          HD21      ASN  91  -9.416 -10.637   8.445
  695   HD22  ASN  91          HD22      ASN  91 -10.714 -11.187   9.493
  696    H    ARG  92           H        ARG  92  -6.484  -7.178  11.293
  697    HA   ARG  92           HA       ARG  92  -4.778  -5.984   9.169
  698    HB2  ARG  92           HB2      ARG  92  -6.100  -4.140  10.191
  699    HB3  ARG  92           HB3      ARG  92  -5.483  -4.608  11.788
  700    HG2  ARG  92           HG2      ARG  92  -3.138  -4.277  10.887
  701    HG3  ARG  92           HG3      ARG  92  -3.857  -3.596   9.415
  702    HD2  ARG  92           HD2      ARG  92  -4.248  -2.578  12.260
  703    HD3  ARG  92           HD3      ARG  92  -3.168  -1.862  11.047
  704    HE   ARG  92           HE       ARG  92  -5.738  -1.964   9.898
  705   HH11  ARG  92          HH11      ARG  92  -4.168  -0.398  12.663
  706   HH12  ARG  92          HH12      ARG  92  -5.216   0.996  12.611
  707   HH21  ARG  92          HH21      ARG  92  -7.093  -0.117   9.865
  708   HH22  ARG  92          HH22      ARG  92  -6.865   1.149  11.047
  709    H    GLY  93           H        GLY  93  -5.029  -6.908  12.663
  710    HA2  GLY  93           HA2      GLY  93  -2.153  -6.761  12.945
  711    HA3  GLY  93           HA3      GLY  93  -3.309  -7.283  14.177
  712    H    LYS  94           H        LYS  94  -0.799  -8.152  12.275
  713    HA   LYS  94           HA       LYS  94   0.399  -9.996  11.909
  714    HB2  LYS  94           HB2      LYS  94  -1.189 -10.968  14.278
  715    HB3  LYS  94           HB3      LYS  94   0.284 -11.734  13.636
  716    HG2  LYS  94           HG2      LYS  94   1.492  -9.551  13.928
  717    HG3  LYS  94           HG3      LYS  94   0.047  -8.895  14.731
  718    HD2  LYS  94           HD2      LYS  94   1.647 -11.328  15.617
  719    HD3  LYS  94           HD3      LYS  94   1.741  -9.714  16.350
  720    HE2  LYS  94           HE2      LYS  94  -0.679  -9.846  16.927
  721    HE3  LYS  94           HE3      LYS  94  -0.746 -11.472  16.236
  722    HZ1  LYS  94           HZ1      LYS  94   0.863 -12.176  17.866
  723    HZ2  LYS  94           HZ2      LYS  94   0.945 -10.659  18.505
  724    HZ3  LYS  94           HZ3      LYS  94  -0.446 -11.522  18.618
  725    H    ALA  95           H        ALA  95  -3.018 -10.421  11.400
  726    HA   ALA  95           HA       ALA  95  -2.420 -12.530   9.490
  727    HB1  ALA  95           HB1      ALA  95  -4.160 -13.121  11.925
  728    HB2  ALA  95           HB2      ALA  95  -3.912 -14.208  10.534
  729    HB3  ALA  95           HB3      ALA  95  -2.554 -13.816  11.611
  730    H    GLY  96           H        GLY  96  -4.380 -13.223   8.284
  731    HA2  GLY  96           HA2      GLY  96  -6.355 -11.016   8.074
  732    HA3  GLY  96           HA3      GLY  96  -5.931 -12.196   6.816
  733    H    VAL  97           H        VAL  97  -6.169 -13.810   9.818
  734    HA   VAL  97           HA       VAL  97  -8.313 -15.366   8.875
  735    HB   VAL  97           HB       VAL  97  -6.702 -16.186  10.513
  736   HG11  VAL  97          HG11      VAL  97  -8.129 -14.412  12.539
  737   HG12  VAL  97          HG12      VAL  97  -6.844 -15.588  12.875
  738   HG13  VAL  97          HG13      VAL  97  -6.487 -14.135  11.911
  739   HG21  VAL  97          HG21      VAL  97  -8.927 -17.251  10.274
  740   HG22  VAL  97          HG22      VAL  97  -8.299 -17.399  11.932
  741   HG23  VAL  97          HG23      VAL  97  -9.563 -16.209  11.571
  742    H    LYS  98           H        LYS  98 -10.450 -15.326   9.065
  743    HA   LYS  98           HA       LYS  98 -11.675 -12.928  10.325
  744    HB2  LYS  98           HB2      LYS  98 -13.012 -12.695   8.236
  745    HB3  LYS  98           HB3      LYS  98 -11.269 -12.524   7.979
  746    HG2  LYS  98           HG2      LYS  98 -11.356 -15.121   7.439
  747    HG3  LYS  98           HG3      LYS  98 -13.086 -14.818   7.224
  748    HD2  LYS  98           HD2      LYS  98 -11.969 -14.638   5.089
  749    HD3  LYS  98           HD3      LYS  98 -12.476 -13.003   5.582
  750    HE2  LYS  98           HE2      LYS  98 -10.176 -12.529   6.357
  751    HE3  LYS  98           HE3      LYS  98  -9.681 -14.180   5.975
  752    HZ1  LYS  98           HZ1      LYS  98 -10.190 -13.735   3.673
  753    HZ2  LYS  98           HZ2      LYS  98 -10.627 -12.186   4.032
  754    HZ3  LYS  98           HZ3      LYS  98  -9.068 -12.678   4.238
  755    H    ARG  99           H        ARG  99 -11.500 -15.690  11.307
  756    HA   ARG  99           HA       ARG  99 -14.411 -16.217  11.542
  757    HB2  ARG  99           HB2      ARG  99 -12.880 -17.801   9.976
  758    HB3  ARG  99           HB3      ARG  99 -12.469 -18.513  11.544
  759    HG2  ARG  99           HG2      ARG  99 -14.330 -19.749  10.675
  760    HG3  ARG  99           HG3      ARG  99 -14.964 -18.727  11.979
  761    HD2  ARG  99           HD2      ARG  99 -15.654 -17.037  10.246
  762    HD3  ARG  99           HD3      ARG  99 -15.066 -18.139   8.991
  763    HE   ARG  99           HE       ARG  99 -17.144 -19.054  10.923
  764   HH11  ARG  99          HH11      ARG  99 -16.307 -18.208   7.581
  765   HH12  ARG  99          HH12      ARG  99 -17.746 -18.953   6.928
  766   HH21  ARG  99          HH21      ARG  99 -18.945 -20.023  10.050
  767   HH22  ARG  99          HH22      ARG  99 -19.263 -19.964   8.329
  768    H    SER 100           H        SER 100 -14.900 -17.499  13.552
  769    HA   SER 100           HA       SER 100 -13.535 -16.422  15.831
  770    HB2  SER 100           HB2      SER 100 -15.554 -18.655  15.446
  771    HB3  SER 100           HB3      SER 100 -15.013 -18.095  17.033
  772    HG   SER 100           HG       SER 100 -16.922 -17.031  16.303
  773    H    ALA 101           H        ALA 101 -12.719 -18.973  13.733
  774    HA   ALA 101           HA       ALA 101 -11.456 -20.831  13.831
  775    HB1  ALA 101           HB1      ALA 101  -9.765 -19.084  14.143
  776    HB2  ALA 101           HB2      ALA 101  -9.932 -19.226  15.910
  777    HB3  ALA 101           HB3      ALA 101  -9.306 -20.591  14.959
  778    H    ALA 102           H        ALA 102 -13.702 -20.513  15.988
  779    HA   ALA 102           HA       ALA 102 -13.065 -23.048  17.335
  780    HB1  ALA 102           HB1      ALA 102 -13.569 -22.113  19.571
  781    HB2  ALA 102           HB2      ALA 102 -12.151 -21.334  18.843
  782    HB3  ALA 102           HB3      ALA 102 -13.711 -20.489  18.859
  783    H    GLU 103           H        GLU 103 -15.205 -21.333  15.526
  784    HA   GLU 103           HA       GLU 103 -17.628 -21.739  17.055
  785    HB2  GLU 103           HB2      GLU 103 -18.743 -20.958  15.012
  786    HB3  GLU 103           HB3      GLU 103 -17.429 -19.882  15.517
  787    HG2  GLU 103           HG2      GLU 103 -15.949 -20.824  13.789
  788    HG3  GLU 103           HG3      GLU 103 -17.179 -22.021  13.356
  789    H    MET 104           H        MET 104 -15.666 -23.912  15.490
  790    HA   MET 104           HA       MET 104 -17.910 -25.665  14.631
  791    HB2  MET 104           HB2      MET 104 -14.943 -25.738  13.988
  792    HB3  MET 104           HB3      MET 104 -16.142 -26.919  13.415
  793    HG2  MET 104           HG2      MET 104 -17.403 -25.148  12.290
  794    HG3  MET 104           HG3      MET 104 -16.274 -23.926  12.879
  795    HE1  MET 104           HE1      MET 104 -13.424 -25.145  12.523
  796    HE2  MET 104           HE2      MET 104 -13.033 -24.522  10.901
  797    HE3  MET 104           HE3      MET 104 -13.921 -23.501  12.055
  798    H    TYR 105           H        TYR 105 -16.440 -25.091  17.433
  799    HA   TYR 105           HA       TYR 105 -16.358 -27.971  18.175
  800    HB2  TYR 105           HB2      TYR 105 -14.426 -25.849  19.154
  801    HB3  TYR 105           HB3      TYR 105 -14.403 -27.564  19.561
  802    HD1  TYR 105           HD1      TYR 105 -13.700 -29.249  17.866
  803    HD2  TYR 105           HD2      TYR 105 -13.571 -25.030  17.068
  804    HE1  TYR 105           HE1      TYR 105 -12.216 -29.670  15.916
  805    HE2  TYR 105           HE2      TYR 105 -12.083 -25.433  15.124
  806    HH   TYR 105           HH       TYR 105 -10.993 -27.003  13.862
  807    H    GLY 106           H        GLY 106 -17.922 -25.096  18.608
  808    HA2  GLY 106           HA2      GLY 106 -19.476 -24.399  20.147
  809    HA3  GLY 106           HA3      GLY 106 -19.317 -25.970  20.950
  810    H5'    U   1           H5'        U   1   3.801  -7.000   9.524
  811   H5''    U   1          H5''        U   1   4.117  -6.086  11.016
  812    H4'    U   1           H4'        U   1   3.176  -4.558   9.451
  813    H3'    U   1           H3'        U   1   1.998  -4.899  11.898
  814    H2'    U   1           H2'        U   1   0.362  -6.478  11.157
  815   HO2'    U   1          HO2'        U   1  -0.585  -4.252  11.852
  816    H1'    U   1           H1'        U   1  -0.083  -4.766   8.704
  817    H3     U   1           H3         U   1  -2.981  -7.645   6.792
  818    H5     U   1           H5         U   1  -0.664 -10.141   9.250
  819    H6     U   1           H6         U   1   0.643  -8.220   9.883
  820    H5'    U   2           H5'        U   2   1.521  -0.567   9.487
  821   H5''    U   2          H5''        U   2   1.983   0.156  11.038
  822    H4'    U   2           H4'        U   2   1.048   1.909   9.783
  823    H3'    U   2           H3'        U   2  -0.311   1.029  12.178
  824    H2'    U   2           H2'        U   2  -2.253   0.463  10.991
  825   HO2'    U   2          HO2'        U   2  -2.800   2.305  12.342
  826    H1'    U   2           H1'        U   2  -1.526   2.755   9.149
  827    H3     U   2           H3         U   2  -5.120   2.564   6.493
  828    H5     U   2           H5         U   2  -4.761  -1.414   7.782
  829    H6     U   2           H6         U   2  -2.845  -0.753   9.115
  830    H5'    U   3           H5'        U   3   2.843   2.418  10.500
  831   H5''    U   3          H5''        U   3   3.780   3.027  11.869
  832    H4'    U   3           H4'        U   3   5.038   3.613   9.958
  833    H3'    U   3           H3'        U   3   4.164   5.594  11.650
  834    H2'    U   3           H2'        U   3   2.322   6.306  10.362
  835   HO2'    U   3          HO2'        U   3   4.162   7.986  10.345
  836    H1'    U   3           H1'        U   3   3.850   5.976   7.784
  837    H3     U   3           H3         U   3   0.176   6.766   5.335
  838    H5     U   3           H5         U   3  -1.377   4.851   8.753
  839    H6     U   3           H6         U   3   0.875   4.707   9.619
  840    H5'    U   4           H5'        U   4   8.100   5.113   9.946
  841   H5''    U   4          H5''        U   4   9.180   5.787  11.171
  842    H4'    U   4           H4'        U   4  10.327   5.283   9.031
  843    H3'    U   4           H3'        U   4  10.810   7.519  10.547
  844    H2'    U   4           H2'        U   4   9.231   8.915   9.435
  845   HO2'    U   4          HO2'        U   4  10.482  10.249   7.995
  846    H1'    U   4           H1'        U   4  10.151   7.890   6.752
  847    H3     U   4           H3         U   4   7.387  11.297   5.478
  848    H5     U   4           H5         U   4   4.874   8.555   7.432
  849    H6     U   4           H6         U   4   6.846   7.328   8.113
  850    H5'    C   5           H5'        C   5  13.525   3.949   8.162
  851   H5''    C   5          H5''        C   5  11.813   4.332   7.960
  852    H4'    C   5           H4'        C   5  11.717   2.028   8.190
  853    H3'    C   5           H3'        C   5  10.548   3.264  10.272
  854    H2'    C   5           H2'        C   5  12.320   3.524  11.763
  855   HO2'    C   5          HO2'        C   5  10.992   2.015  12.850
  856    H1'    C   5           H1'        C   5  13.817   1.044  11.281
  857    H41    C   5           H41        C   5  18.342   5.761  11.139
  858    H42    C   5           H42        C   5  17.676   6.121  12.721
  859    H5     C   5           H5         C   5  15.683   5.002  13.586
  860    H6     C   5           H6         C   5  13.943   3.399  13.072
  Start of MODEL    6
    1    H1   ALA   2           H1       ALA   2  11.639   8.880  -5.671
    2    H2   ALA   2           H2       ALA   2  11.043   7.501  -4.979
    3    H3   ALA   2           H3       ALA   2  10.629   7.893  -6.533
    4    HA   ALA   2           HA       ALA   2   9.469   9.842  -5.795
    5    HB1  ALA   2           HB1      ALA   2   8.237   7.707  -6.063
    6    HB2  ALA   2           HB2      ALA   2   8.596   7.297  -4.364
    7    HB3  ALA   2           HB3      ALA   2   7.563   8.691  -4.749
    8    H    SER   3           H        SER   3   8.190  10.628  -3.734
    9    HA   SER   3           HA       SER   3  10.123  11.550  -1.850
   10    HB2  SER   3           HB2      SER   3   8.044  12.763  -2.470
   11    HB3  SER   3           HB3      SER   3   7.091  11.501  -1.658
   12    HG   SER   3           HG       SER   3   8.946  13.304  -0.517
   13    H    ASN   4           H        ASN   4  10.078  11.203   0.491
   14    HA   ASN   4           HA       ASN   4   9.681   8.359   1.153
   15    HB2  ASN   4           HB2      ASN   4  11.000   8.927   3.167
   16    HB3  ASN   4           HB3      ASN   4  11.834   9.374   1.668
   17   HD21  ASN   4          HD21      ASN   4  10.226  10.576   4.579
   18   HD22  ASN   4          HD22      ASN   4  10.708  12.246   4.379
   19    H    VAL   5           H        VAL   5   7.660  10.939   1.098
   20    HA   VAL   5           HA       VAL   5   6.529  10.504   3.797
   21    HB   VAL   5           HB       VAL   5   6.019  12.651   1.715
   22   HG11  VAL   5          HG11      VAL   5   4.782  13.788   3.523
   23   HG12  VAL   5          HG12      VAL   5   4.016  12.239   3.129
   24   HG13  VAL   5          HG13      VAL   5   5.033  12.393   4.590
   25   HG21  VAL   5          HG21      VAL   5   7.202  14.083   3.377
   26   HG22  VAL   5          HG22      VAL   5   7.509  12.647   4.379
   27   HG23  VAL   5          HG23      VAL   5   8.247  12.784   2.767
   28    H    THR   6           H        THR   6   4.597   9.631   4.186
   29    HA   THR   6           HA       THR   6   2.724   9.026   1.999
   30    HB   THR   6           HB       THR   6   2.648   6.623   2.601
   31    HG1  THR   6           HG1      THR   6   3.525   6.720   4.659
   32   HG21  THR   6          HG21      THR   6   4.677   5.885   1.515
   33   HG22  THR   6          HG22      THR   6   4.069   7.339   0.699
   34   HG23  THR   6          HG23      THR   6   5.467   7.442   1.811
   35    H    ASN   7           H        ASN   7   3.024  10.384   4.963
   36    HA   ASN   7           HA       ASN   7   0.775   8.845   6.130
   37    HB2  ASN   7           HB2      ASN   7   1.496   9.496   8.289
   38    HB3  ASN   7           HB3      ASN   7   2.870   8.868   7.395
   39   HD21  ASN   7          HD21      ASN   7   3.836  10.088   9.349
   40   HD22  ASN   7          HD22      ASN   7   4.306  11.753   9.045
   41    H    LYS   8           H        LYS   8   0.558  11.170   4.114
   42    HA   LYS   8           HA       LYS   8  -0.699  13.322   5.533
   43    HB2  LYS   8           HB2      LYS   8  -1.013  12.369   2.662
   44    HB3  LYS   8           HB3      LYS   8  -1.607  13.914   3.310
   45    HG2  LYS   8           HG2      LYS   8   0.735  14.468   4.018
   46    HG3  LYS   8           HG3      LYS   8   1.307  13.009   3.171
   47    HD2  LYS   8           HD2      LYS   8  -0.192  15.337   1.915
   48    HD3  LYS   8           HD3      LYS   8   1.554  15.040   1.784
   49    HE2  LYS   8           HE2      LYS   8   1.098  12.868   0.685
   50    HE3  LYS   8           HE3      LYS   8  -0.647  13.186   0.784
   51    HZ1  LYS   8           HZ1      LYS   8   1.316  14.817  -0.683
   52    HZ2  LYS   8           HZ2      LYS   8   0.237  13.774  -1.357
   53    HZ3  LYS   8           HZ3      LYS   8  -0.293  15.127  -0.584
   54    H    THR   9           H        THR   9  -2.841  13.685   6.045
   55    HA   THR   9           HA       THR   9  -4.502  11.216   6.071
   56    HB   THR   9           HB       THR   9  -5.522  12.110   8.118
   57    HG1  THR   9           HG1      THR   9  -4.529  13.920   9.075
   58   HG21  THR   9          HG21      THR   9  -3.600  11.769   9.597
   59   HG22  THR   9          HG22      THR   9  -3.553  10.609   8.254
   60   HG23  THR   9          HG23      THR   9  -2.480  12.032   8.242
   61    H    ASP  10           H        ASP  10  -4.409  13.662   4.073
   62    HA   ASP  10           HA       ASP  10  -6.955  14.922   4.303
   63    HB2  ASP  10           HB2      ASP  10  -5.263  14.349   1.840
   64    HB3  ASP  10           HB3      ASP  10  -6.608  15.490   1.910
   65    HA   PRO  11           HA       PRO  11  -9.785  11.799   3.298
   66    HB2  PRO  11           HB2      PRO  11 -11.733  13.110   1.868
   67    HB3  PRO  11           HB3      PRO  11 -11.451  13.348   3.629
   68    HG2  PRO  11           HG2      PRO  11 -10.400  15.033   1.335
   69    HG3  PRO  11           HG3      PRO  11 -11.245  15.583   2.831
   70    HD2  PRO  11           HD2      PRO  11  -8.548  15.621   2.664
   71    HD3  PRO  11           HD3      PRO  11  -9.351  15.089   4.173
   72    H    ARG  12           H        ARG  12  -7.939  13.239   0.818
   73    HA   ARG  12           HA       ARG  12  -8.895  11.199  -1.157
   74    HB2  ARG  12           HB2      ARG  12  -8.987  13.824  -1.536
   75    HB3  ARG  12           HB3      ARG  12  -7.283  13.610  -1.960
   76    HG2  ARG  12           HG2      ARG  12  -9.652  12.145  -3.197
   77    HG3  ARG  12           HG3      ARG  12  -8.820  13.531  -3.905
   78    HD2  ARG  12           HD2      ARG  12  -7.653  10.772  -3.416
   79    HD3  ARG  12           HD3      ARG  12  -8.030  11.503  -4.975
   80    HE   ARG  12           HE       ARG  12  -5.690  12.002  -3.300
   81   HH11  ARG  12          HH11      ARG  12  -7.680  13.232  -5.963
   82   HH12  ARG  12          HH12      ARG  12  -6.411  14.251  -6.590
   83   HH21  ARG  12          HH21      ARG  12  -4.076  13.366  -4.115
   84   HH22  ARG  12          HH22      ARG  12  -4.366  14.325  -5.548
   85    H    SER  13           H        SER  13  -6.102  12.725   0.468
   86    HA   SER  13           HA       SER  13  -4.123  11.199  -0.963
   87    HB2  SER  13           HB2      SER  13  -3.969  12.598   1.734
   88    HB3  SER  13           HB3      SER  13  -2.591  12.033   0.765
   89    HG   SER  13           HG       SER  13  -3.099  14.269   0.442
   90    H    MET  14           H        MET  14  -6.184  10.501   1.841
   91    HA   MET  14           HA       MET  14  -4.507   8.171   2.444
   92    HB2  MET  14           HB2      MET  14  -5.614   7.943   4.427
   93    HB3  MET  14           HB3      MET  14  -5.546   9.698   4.200
   94    HG2  MET  14           HG2      MET  14  -7.876   9.701   3.409
   95    HG3  MET  14           HG3      MET  14  -7.951   7.939   3.581
   96    HE1  MET  14           HE1      MET  14  -7.571   7.512   7.511
   97    HE2  MET  14           HE2      MET  14  -7.578   6.683   5.942
   98    HE3  MET  14           HE3      MET  14  -6.184   7.667   6.427
   99    H    ASN  15           H        ASN  15  -6.700   8.790   0.100
  100    HA   ASN  15           HA       ASN  15  -7.591   5.943   0.046
  101    HB2  ASN  15           HB2      ASN  15  -8.861   8.464  -1.059
  102    HB3  ASN  15           HB3      ASN  15  -9.288   6.850  -1.642
  103   HD21  ASN  15          HD21      ASN  15  -9.861   9.188   0.822
  104   HD22  ASN  15          HD22      ASN  15 -10.799   8.162   1.887
  105    H    SER  16           H        SER  16  -5.789   8.505  -1.606
  106    HA   SER  16           HA       SER  16  -5.216   6.744  -3.876
  107    HB2  SER  16           HB2      SER  16  -3.733   8.558  -4.594
  108    HB3  SER  16           HB3      SER  16  -5.347   9.181  -4.187
  109    HG   SER  16           HG       SER  16  -3.614  10.417  -3.298
  110    H    ARG  17           H        ARG  17  -4.393   6.640  -0.698
  111    HA   ARG  17           HA       ARG  17  -1.608   5.721  -1.174
  112    HB2  ARG  17           HB2      ARG  17  -1.981   7.280   0.678
  113    HB3  ARG  17           HB3      ARG  17  -3.140   6.147   1.413
  114    HG2  ARG  17           HG2      ARG  17  -1.444   4.523   1.845
  115    HG3  ARG  17           HG3      ARG  17  -0.299   5.309   0.737
  116    HD2  ARG  17           HD2      ARG  17   0.304   5.714   3.064
  117    HD3  ARG  17           HD3      ARG  17  -0.053   7.200   2.186
  118    HE   ARG  17           HE       ARG  17  -1.806   5.895   4.235
  119   HH11  ARG  17          HH11      ARG  17  -1.040   8.718   2.216
  120   HH12  ARG  17          HH12      ARG  17  -2.028   9.787   3.187
  121   HH21  ARG  17          HH21      ARG  17  -3.061   7.341   5.447
  122   HH22  ARG  17          HH22      ARG  17  -3.168   9.027   4.962
  123    H    VAL  18           H        VAL  18  -0.937   3.646  -0.557
  124    HA   VAL  18           HA       VAL  18  -3.121   1.647  -0.179
  125    HB   VAL  18           HB       VAL  18  -0.624   1.414  -1.894
  126   HG11  VAL  18          HG11      VAL  18  -1.141  -0.715  -0.794
  127   HG12  VAL  18          HG12      VAL  18  -2.852  -0.570  -1.254
  128   HG13  VAL  18          HG13      VAL  18  -1.603  -0.796  -2.504
  129   HG21  VAL  18          HG21      VAL  18  -2.354   2.745  -2.975
  130   HG22  VAL  18          HG22      VAL  18  -2.344   1.120  -3.702
  131   HG23  VAL  18          HG23      VAL  18  -3.598   1.548  -2.519
  132    H    PHE  19           H        PHE  19  -2.921   0.478   1.572
  133    HA   PHE  19           HA       PHE  19  -0.440   0.492   3.141
  134    HB2  PHE  19           HB2      PHE  19  -2.638   0.811   4.220
  135    HB3  PHE  19           HB3      PHE  19  -3.175  -0.752   3.595
  136    HD1  PHE  19           HD1      PHE  19   0.138   0.087   5.130
  137    HD2  PHE  19           HD2      PHE  19  -3.624  -1.966   5.594
  138    HE1  PHE  19           HE1      PHE  19   0.980  -1.019   7.176
  139    HE2  PHE  19           HE2      PHE  19  -2.773  -3.060   7.629
  140    HZ   PHE  19           HZ       PHE  19  -0.469  -2.622   8.412
  141    H    ILE  20           H        ILE  20   1.013  -1.150   3.136
  142    HA   ILE  20           HA       ILE  20   0.265  -3.691   1.753
  143    HB   ILE  20           HB       ILE  20   2.928  -2.241   1.855
  144   HG12  ILE  20          HG12      ILE  20   1.280  -2.893  -0.617
  145   HG13  ILE  20          HG11      ILE  20   1.069  -1.386   0.277
  146   HG21  ILE  20          HG21      ILE  20   2.170  -4.875   0.488
  147   HG22  ILE  20          HG22      ILE  20   3.732  -4.061   0.329
  148   HG23  ILE  20          HG23      ILE  20   3.236  -4.709   1.898
  149   HD11  ILE  20          HD11      ILE  20   2.626  -1.048  -1.566
  150   HD12  ILE  20          HD12      ILE  20   3.475  -0.865  -0.009
  151   HD13  ILE  20          HD13      ILE  20   3.680  -2.349  -0.960
  152    H    GLY  21           H        GLY  21  -0.491  -4.507   3.734
  153    HA2  GLY  21           HA2      GLY  21   1.370  -4.737   5.995
  154    HA3  GLY  21           HA3      GLY  21  -0.300  -5.334   5.909
  155    H    ASN  22           H        ASN  22   1.374  -7.047   7.035
  156    HA   ASN  22           HA       ASN  22   2.445  -9.030   6.933
  157    HB2  ASN  22           HB2      ASN  22   0.080  -9.611   6.260
  158    HB3  ASN  22           HB3      ASN  22   0.600  -9.543   4.575
  159   HD21  ASN  22          HD21      ASN  22  -0.161 -11.813   4.572
  160   HD22  ASN  22          HD22      ASN  22   0.999 -13.056   5.016
  161    H    LEU  23           H        LEU  23   4.035  -7.124   5.831
  162    HA   LEU  23           HA       LEU  23   5.074  -8.250   3.293
  163    HB2  LEU  23           HB2      LEU  23   4.520  -5.855   3.388
  164    HB3  LEU  23           HB3      LEU  23   5.630  -5.640   4.746
  165    HG   LEU  23           HG       LEU  23   7.539  -6.273   3.301
  166   HD11  LEU  23          HD11      LEU  23   6.421  -7.736   1.678
  167   HD12  LEU  23          HD12      LEU  23   5.448  -6.358   1.089
  168   HD13  LEU  23          HD13      LEU  23   7.206  -6.385   0.847
  169   HD21  LEU  23          HD21      LEU  23   6.783  -3.913   3.545
  170   HD22  LEU  23          HD22      LEU  23   7.535  -4.215   1.964
  171   HD23  LEU  23          HD23      LEU  23   5.764  -4.103   2.104
  172    H    ASN  24           H        ASN  24   7.277  -8.947   3.111
  173    HA   ASN  24           HA       ASN  24   8.269 -10.177   5.521
  174    HB2  ASN  24           HB2      ASN  24   8.520 -11.047   3.135
  175    HB3  ASN  24           HB3      ASN  24   9.706  -9.779   2.862
  176   HD21  ASN  24          HD21      ASN  24  11.608 -10.940   2.711
  177   HD22  ASN  24          HD22      ASN  24  12.208 -12.001   3.971
  178    H    THR  25           H        THR  25   9.154  -7.310   3.666
  179    HA   THR  25           HA       THR  25  10.611  -5.637   3.924
  180    HB   THR  25           HB       THR  25  10.589  -4.487   6.030
  181    HG1  THR  25           HG1      THR  25  10.786  -6.307   7.415
  182   HG21  THR  25          HG21      THR  25   7.923  -5.837   5.436
  183   HG22  THR  25          HG22      THR  25   8.137  -4.287   6.270
  184   HG23  THR  25          HG23      THR  25   8.606  -4.441   4.561
  185    H    LEU  26           H        LEU  26  11.726  -8.536   4.580
  186    HA   LEU  26           HA       LEU  26  14.342  -7.613   5.646
  187    HB2  LEU  26           HB2      LEU  26  12.804 -10.164   5.610
  188    HB3  LEU  26           HB3      LEU  26  14.538 -10.332   5.339
  189    HG   LEU  26           HG       LEU  26  13.940 -10.583   7.722
  190   HD11  LEU  26          HD11      LEU  26  15.612  -8.097   7.161
  191   HD12  LEU  26          HD12      LEU  26  15.665  -9.104   8.617
  192   HD13  LEU  26          HD13      LEU  26  16.176  -9.779   7.054
  193   HD21  LEU  26          HD21      LEU  26  12.053  -9.003   7.829
  194   HD22  LEU  26          HD22      LEU  26  13.284  -8.627   9.054
  195   HD23  LEU  26          HD23      LEU  26  13.175  -7.633   7.590
  196    H    VAL  27           H        VAL  27  12.730  -8.361   2.712
  197    HA   VAL  27           HA       VAL  27  15.369  -8.486   1.306
  198    HB   VAL  27           HB       VAL  27  12.803  -9.959   0.608
  199   HG11  VAL  27          HG11      VAL  27  15.527  -9.901  -0.767
  200   HG12  VAL  27          HG12      VAL  27  14.205 -11.020  -1.164
  201   HG13  VAL  27          HG13      VAL  27  13.991  -9.281  -1.432
  202   HG21  VAL  27          HG21      VAL  27  15.533 -10.950   1.537
  203   HG22  VAL  27          HG22      VAL  27  14.034 -10.993   2.492
  204   HG23  VAL  27          HG23      VAL  27  14.173 -11.983   1.027
  205    H    VAL  28           H        VAL  28  12.137  -7.132   1.542
  206    HA   VAL  28           HA       VAL  28  12.606  -5.562  -0.947
  207    HB   VAL  28           HB       VAL  28  10.073  -5.912   0.689
  208   HG11  VAL  28          HG11      VAL  28  10.562  -4.616  -2.029
  209   HG12  VAL  28          HG12      VAL  28   8.974  -4.909  -1.290
  210   HG13  VAL  28          HG13      VAL  28  10.094  -3.773  -0.526
  211   HG21  VAL  28          HG21      VAL  28   9.341  -7.249  -1.282
  212   HG22  VAL  28          HG22      VAL  28  10.979  -7.120  -1.960
  213   HG23  VAL  28          HG23      VAL  28  10.713  -7.996  -0.436
  214    H    LYS  29           H        LYS  29  12.542  -3.307  -0.950
  215    HA   LYS  29           HA       LYS  29  12.575  -1.934   1.691
  216    HB2  LYS  29           HB2      LYS  29  14.646  -1.505  -0.505
  217    HB3  LYS  29           HB3      LYS  29  14.541  -0.670   1.044
  218    HG2  LYS  29           HG2      LYS  29  16.168  -2.174   1.559
  219    HG3  LYS  29           HG3      LYS  29  14.750  -3.111   2.056
  220    HD2  LYS  29           HD2      LYS  29  14.810  -4.294  -0.167
  221    HD3  LYS  29           HD3      LYS  29  16.211  -3.305  -0.621
  222    HE2  LYS  29           HE2      LYS  29  17.481  -4.238   1.287
  223    HE3  LYS  29           HE3      LYS  29  16.081  -5.225   1.738
  224    HZ1  LYS  29           HZ1      LYS  29  17.560  -5.390  -0.800
  225    HZ2  LYS  29           HZ2      LYS  29  17.646  -6.471   0.436
  226    HZ3  LYS  29           HZ3      LYS  29  16.246  -6.300  -0.410
  227    H    LYS  30           H        LYS  30  12.659   0.505   1.303
  228    HA   LYS  30           HA       LYS  30  10.366   1.250  -0.252
  229    HB2  LYS  30           HB2      LYS  30  10.940   3.530   0.533
  230    HB3  LYS  30           HB3      LYS  30  10.891   2.314   1.822
  231    HG2  LYS  30           HG2      LYS  30  13.529   2.159   1.233
  232    HG3  LYS  30           HG3      LYS  30  13.233   3.837   0.741
  233    HD2  LYS  30           HD2      LYS  30  12.509   2.566   3.410
  234    HD3  LYS  30           HD3      LYS  30  13.903   3.623   3.140
  235    HE2  LYS  30           HE2      LYS  30  12.401   5.487   2.522
  236    HE3  LYS  30           HE3      LYS  30  10.993   4.442   2.745
  237    HZ1  LYS  30           HZ1      LYS  30  11.382   5.785   4.673
  238    HZ2  LYS  30           HZ2      LYS  30  11.621   4.210   5.066
  239    HZ3  LYS  30           HZ3      LYS  30  12.911   5.202   4.851
  240    H    SER  31           H        SER  31  13.498   0.615  -1.247
  241    HA   SER  31           HA       SER  31  13.330   2.458  -3.571
  242    HB2  SER  31           HB2      SER  31  15.567   0.599  -2.682
  243    HB3  SER  31           HB3      SER  31  15.631   1.774  -4.015
  244    HG   SER  31           HG       SER  31  16.512   2.602  -2.057
  245    H    ASP  32           H        ASP  32  12.123  -0.512  -2.702
  246    HA   ASP  32           HA       ASP  32  12.378  -1.634  -5.455
  247    HB2  ASP  32           HB2      ASP  32  12.044  -2.899  -2.713
  248    HB3  ASP  32           HB3      ASP  32  11.774  -3.787  -4.204
  249    H    VAL  33           H        VAL  33  10.181  -0.783  -2.747
  250    HA   VAL  33           HA       VAL  33   7.814  -1.902  -3.925
  251    HB   VAL  33           HB       VAL  33   8.289   0.364  -1.964
  252   HG11  VAL  33          HG11      VAL  33   5.927   0.105  -1.330
  253   HG12  VAL  33          HG12      VAL  33   6.056   0.565  -3.044
  254   HG13  VAL  33          HG13      VAL  33   5.700  -1.120  -2.590
  255   HG21  VAL  33          HG21      VAL  33   9.044  -1.852  -1.180
  256   HG22  VAL  33          HG22      VAL  33   7.593  -1.342  -0.294
  257   HG23  VAL  33          HG23      VAL  33   7.459  -2.548  -1.591
  258    H    GLU  34           H        GLU  34   9.609   1.121  -4.375
  259    HA   GLU  34           HA       GLU  34   7.505   2.316  -5.990
  260    HB2  GLU  34           HB2      GLU  34   9.069   4.126  -6.366
  261    HB3  GLU  34           HB3      GLU  34   8.954   3.730  -4.648
  262    HG2  GLU  34           HG2      GLU  34  11.061   2.454  -4.771
  263    HG3  GLU  34           HG3      GLU  34  11.160   2.753  -6.513
  264    H    ALA  35           H        ALA  35   9.221  -0.312  -6.648
  265    HA   ALA  35           HA       ALA  35   9.318   0.329  -9.556
  266    HB1  ALA  35           HB1      ALA  35  11.190  -1.483  -7.988
  267    HB2  ALA  35           HB2      ALA  35  11.211  -1.228  -9.750
  268    HB3  ALA  35           HB3      ALA  35  11.598   0.117  -8.654
  269    H    ILE  36           H        ILE  36   7.920  -1.491  -7.057
  270    HA   ILE  36           HA       ILE  36   7.082  -3.668  -8.918
  271    HB   ILE  36           HB       ILE  36   7.089  -3.430  -5.887
  272   HG12  ILE  36          HG12      ILE  36   8.617  -5.368  -7.673
  273   HG13  ILE  36          HG11      ILE  36   9.281  -3.808  -7.184
  274   HG21  ILE  36          HG21      ILE  36   6.166  -5.722  -7.677
  275   HG22  ILE  36          HG22      ILE  36   6.351  -5.819  -5.910
  276   HG23  ILE  36          HG23      ILE  36   5.136  -4.743  -6.610
  277   HD11  ILE  36          HD11      ILE  36   8.407  -6.023  -5.285
  278   HD12  ILE  36          HD12      ILE  36  10.070  -5.542  -5.660
  279   HD13  ILE  36          HD13      ILE  36   8.996  -4.421  -4.791
  280    H    PHE  37           H        PHE  37   5.982  -0.902  -7.031
  281    HA   PHE  37           HA       PHE  37   3.160  -1.581  -7.676
  282    HB2  PHE  37           HB2      PHE  37   4.438   0.215  -5.595
  283    HB3  PHE  37           HB3      PHE  37   2.715   0.234  -5.949
  284    HD1  PHE  37           HD1      PHE  37   5.476  -1.968  -4.762
  285    HD2  PHE  37           HD2      PHE  37   1.236  -1.346  -5.041
  286    HE1  PHE  37           HE1      PHE  37   5.095  -3.883  -3.223
  287    HE2  PHE  37           HE2      PHE  37   0.852  -3.261  -3.506
  288    HZ   PHE  37           HZ       PHE  37   2.784  -4.515  -2.585
  289    H    SER  38           H        SER  38   5.738   0.205  -8.878
  290    HA   SER  38           HA       SER  38   4.307   2.617  -9.617
  291    HB2  SER  38           HB2      SER  38   6.318   3.015 -11.005
  292    HB3  SER  38           HB3      SER  38   6.740   2.584  -9.329
  293    HG   SER  38           HG       SER  38   7.958   1.434 -10.921
  294    H    LYS  39           H        LYS  39   4.359  -0.607 -10.807
  295    HA   LYS  39           HA       LYS  39   3.790   0.039 -13.584
  296    HB2  LYS  39           HB2      LYS  39   3.563  -2.373 -13.819
  297    HB3  LYS  39           HB3      LYS  39   5.005  -1.970 -12.864
  298    HG2  LYS  39           HG2      LYS  39   3.495  -2.271 -10.785
  299    HG3  LYS  39           HG3      LYS  39   2.337  -3.041 -11.883
  300    HD2  LYS  39           HD2      LYS  39   5.240  -3.857 -11.465
  301    HD3  LYS  39           HD3      LYS  39   3.843  -4.680 -10.747
  302    HE2  LYS  39           HE2      LYS  39   4.392  -4.408 -13.736
  303    HE3  LYS  39           HE3      LYS  39   4.702  -5.854 -12.766
  304    HZ1  LYS  39           HZ1      LYS  39   2.350  -5.956 -12.278
  305    HZ2  LYS  39           HZ2      LYS  39   2.062  -4.630 -13.208
  306    HZ3  LYS  39           HZ3      LYS  39   2.611  -6.011 -13.899
  307    H    TYR  40           H        TYR  40   1.915   0.038 -10.711
  308    HA   TYR  40           HA       TYR  40  -0.594  -0.384 -12.261
  309    HB2  TYR  40           HB2      TYR  40  -0.145  -0.319  -9.265
  310    HB3  TYR  40           HB3      TYR  40  -1.659  -0.711 -10.089
  311    HD1  TYR  40           HD1      TYR  40  -1.570  -2.728 -11.769
  312    HD2  TYR  40           HD2      TYR  40   1.344  -2.008  -8.692
  313    HE1  TYR  40           HE1      TYR  40  -0.830  -5.100 -11.922
  314    HE2  TYR  40           HE2      TYR  40   2.107  -4.358  -8.851
  315    HH   TYR  40           HH       TYR  40   1.759  -6.399  -9.822
  316    H    GLY  41           H        GLY  41   1.375   2.051 -10.781
  317    HA2  GLY  41           HA2      GLY  41  -0.240   4.111 -11.905
  318    HA3  GLY  41           HA3      GLY  41  -0.535   4.028 -10.159
  319    H    LYS  42           H        LYS  42   0.569   6.292 -11.416
  320    HA   LYS  42           HA       LYS  42   3.442   6.335 -11.141
  321    HB2  LYS  42           HB2      LYS  42   2.362   7.880 -12.636
  322    HB3  LYS  42           HB3      LYS  42   1.258   8.432 -11.361
  323    HG2  LYS  42           HG2      LYS  42   3.131   9.421 -10.116
  324    HG3  LYS  42           HG3      LYS  42   4.278   8.868 -11.358
  325    HD2  LYS  42           HD2      LYS  42   3.224  10.270 -13.042
  326    HD3  LYS  42           HD3      LYS  42   1.883  10.649 -11.944
  327    HE2  LYS  42           HE2      LYS  42   3.376  12.535 -11.951
  328    HE3  LYS  42           HE3      LYS  42   3.481  11.721 -10.382
  329    HZ1  LYS  42           HZ1      LYS  42   5.504  10.659 -11.134
  330    HZ2  LYS  42           HZ2      LYS  42   5.401  11.398 -12.596
  331    HZ3  LYS  42           HZ3      LYS  42   5.649  12.291 -11.240
  332    H    ILE  43           H        ILE  43   4.467   6.164  -9.254
  333    HA   ILE  43           HA       ILE  43   3.053   6.707  -6.754
  334    HB   ILE  43           HB       ILE  43   5.839   5.662  -7.369
  335   HG12  ILE  43          HG12      ILE  43   3.291   4.334  -6.346
  336   HG13  ILE  43          HG11      ILE  43   3.922   4.204  -8.003
  337   HG21  ILE  43          HG21      ILE  43   5.765   6.829  -5.163
  338   HG22  ILE  43          HG22      ILE  43   4.375   5.813  -4.700
  339   HG23  ILE  43          HG23      ILE  43   5.970   5.082  -4.988
  340   HD11  ILE  43          HD11      ILE  43   5.315   3.185  -5.489
  341   HD12  ILE  43          HD12      ILE  43   4.486   2.209  -6.706
  342   HD13  ILE  43          HD13      ILE  43   5.957   3.107  -7.152
  343    H    VAL  44           H        VAL  44   3.175   8.487  -5.567
  344    HA   VAL  44           HA       VAL  44   5.127  10.586  -6.377
  345    HB   VAL  44           HB       VAL  44   3.569  12.185  -5.365
  346   HG11  VAL  44          HG11      VAL  44   3.373  11.604  -7.762
  347   HG12  VAL  44          HG12      VAL  44   2.215  10.315  -7.354
  348   HG13  VAL  44          HG13      VAL  44   1.801  12.018  -7.045
  349   HG21  VAL  44          HG21      VAL  44   2.541  10.687  -3.661
  350   HG22  VAL  44          HG22      VAL  44   1.318  11.484  -4.672
  351   HG23  VAL  44          HG23      VAL  44   1.727   9.784  -4.961
  352    H    GLY  45           H        GLY  45   4.528   8.250  -4.014
  353    HA2  GLY  45           HA2      GLY  45   6.712   9.161  -2.386
  354    HA3  GLY  45           HA3      GLY  45   5.155   9.387  -1.565
  355    H    CYS  46           H        CYS  46   7.449   7.489  -1.027
  356    HA   CYS  46           HA       CYS  46   5.815   5.060  -0.726
  357    HB2  CYS  46           HB2      CYS  46   6.914   4.810  -2.950
  358    HB3  CYS  46           HB3      CYS  46   8.499   5.065  -2.185
  359    HG   CYS  46           HG       CYS  46   8.171   2.542  -2.710
  360    H    SER  47           H        SER  47   6.446   3.826   1.036
  361    HA   SER  47           HA       SER  47   9.030   4.330   2.314
  362    HB2  SER  47           HB2      SER  47   7.537   6.128   3.213
  363    HB3  SER  47           HB3      SER  47   6.448   4.865   3.830
  364    HG   SER  47           HG       SER  47   8.010   5.575   5.383
  365    H    VAL  48           H        VAL  48   9.644   2.691   3.700
  366    HA   VAL  48           HA       VAL  48   7.767   0.391   3.970
  367    HB   VAL  48           HB       VAL  48  10.724   0.326   3.284
  368   HG11  VAL  48          HG11      VAL  48   8.802  -1.947   3.935
  369   HG12  VAL  48          HG12      VAL  48  10.424  -2.150   3.231
  370   HG13  VAL  48          HG13      VAL  48  10.250  -1.481   4.862
  371   HG21  VAL  48          HG21      VAL  48   9.188   0.770   1.390
  372   HG22  VAL  48          HG22      VAL  48   9.878  -0.872   1.269
  373   HG23  VAL  48          HG23      VAL  48   8.214  -0.649   1.841
  374    H    HIS  49           H        HIS  49   7.911  -0.779   5.854
  375    HA   HIS  49           HA       HIS  49   9.473   0.424   8.089
  376    HB2  HIS  49           HB2      HIS  49   6.548  -0.397   8.103
  377    HB3  HIS  49           HB3      HIS  49   7.458   0.264   9.468
  378    HD2  HIS  49           HD2      HIS  49   6.085   1.336   5.991
  379    HE1  HIS  49           HE1      HIS  49   6.733   4.884   8.240
  380    HE2  HIS  49           HE2      HIS  49   5.800   3.937   6.066
  381    H    LYS  50           H        LYS  50   8.545  -1.362  10.073
  382    HA   LYS  50           HA       LYS  50   9.653  -3.914   9.068
  383    HB2  LYS  50           HB2      LYS  50   8.918  -3.000  11.870
  384    HB3  LYS  50           HB3      LYS  50   9.642  -4.565  11.450
  385    HG2  LYS  50           HG2      LYS  50  11.597  -3.390  10.454
  386    HG3  LYS  50           HG3      LYS  50  10.888  -1.830  10.939
  387    HD2  LYS  50           HD2      LYS  50  10.938  -2.541  13.306
  388    HD3  LYS  50           HD3      LYS  50  11.647  -4.103  12.822
  389    HE2  LYS  50           HE2      LYS  50  13.594  -2.900  11.861
  390    HE3  LYS  50           HE3      LYS  50  12.880  -1.357  12.345
  391    HZ1  LYS  50           HZ1      LYS  50  13.670  -3.519  14.188
  392    HZ2  LYS  50           HZ2      LYS  50  14.501  -2.125  13.935
  393    HZ3  LYS  50           HZ3      LYS  50  13.012  -2.079  14.631
  394    H    GLY  51           H        GLY  51   8.343  -5.364   8.222
  395    HA2  GLY  51           HA2      GLY  51   6.628  -6.920   8.203
  396    HA3  GLY  51           HA3      GLY  51   5.886  -6.119   9.594
  397    H    PHE  52           H        PHE  52   6.266  -3.517   7.640
  398    HA   PHE  52           HA       PHE  52   4.121  -4.112   5.726
  399    HB2  PHE  52           HB2      PHE  52   2.634  -2.381   6.515
  400    HB3  PHE  52           HB3      PHE  52   2.869  -3.599   7.766
  401    HD1  PHE  52           HD1      PHE  52   4.251  -3.092   9.775
  402    HD2  PHE  52           HD2      PHE  52   3.311  -0.097   6.841
  403    HE1  PHE  52           HE1      PHE  52   4.889  -1.319  11.385
  404    HE2  PHE  52           HE2      PHE  52   3.940   1.678   8.456
  405    HZ   PHE  52           HZ       PHE  52   4.730   1.064  10.731
  406    H    ALA  53           H        ALA  53   3.561  -2.113   4.434
  407    HA   ALA  53           HA       ALA  53   5.608   0.004   4.387
  408    HB1  ALA  53           HB1      ALA  53   5.050  -1.842   2.029
  409    HB2  ALA  53           HB2      ALA  53   6.011  -0.350   1.960
  410    HB3  ALA  53           HB3      ALA  53   6.570  -1.715   2.948
  411    H    PHE  54           H        PHE  54   5.002   1.621   2.581
  412    HA   PHE  54           HA       PHE  54   2.084   1.771   2.098
  413    HB2  PHE  54           HB2      PHE  54   3.778   3.646   3.733
  414    HB3  PHE  54           HB3      PHE  54   2.513   4.326   2.711
  415    HD1  PHE  54           HD1      PHE  54   0.152   3.298   2.881
  416    HD2  PHE  54           HD2      PHE  54   3.176   2.897   5.915
  417    HE1  PHE  54           HE1      PHE  54  -1.604   2.847   4.569
  418    HE2  PHE  54           HE2      PHE  54   1.416   2.422   7.594
  419    HZ   PHE  54           HZ       PHE  54  -0.977   2.420   6.925
  420    H    VAL  55           H        VAL  55   1.517   2.846   0.256
  421    HA   VAL  55           HA       VAL  55   3.663   4.103  -1.383
  422    HB   VAL  55           HB       VAL  55   1.636   2.020  -2.307
  423   HG11  VAL  55          HG11      VAL  55   3.636   3.687  -3.894
  424   HG12  VAL  55          HG12      VAL  55   2.700   2.322  -4.539
  425   HG13  VAL  55          HG13      VAL  55   1.859   3.788  -4.001
  426   HG21  VAL  55          HG21      VAL  55   3.656   1.080  -1.223
  427   HG22  VAL  55          HG22      VAL  55   3.677   0.779  -2.973
  428   HG23  VAL  55          HG23      VAL  55   4.679   2.080  -2.278
  429    H    GLN  56           H        GLN  56   3.020   5.909  -2.476
  430    HA   GLN  56           HA       GLN  56   0.190   6.742  -2.053
  431    HB2  GLN  56           HB2      GLN  56   2.006   7.910  -0.704
  432    HB3  GLN  56           HB3      GLN  56   2.694   8.463  -2.232
  433    HG2  GLN  56           HG2      GLN  56   1.376  10.263  -1.426
  434    HG3  GLN  56           HG3      GLN  56   0.443   9.537  -2.741
  435   HE21  GLN  56          HE21      GLN  56  -1.697   9.283  -2.278
  436   HE22  GLN  56          HE22      GLN  56  -2.353   9.025  -0.680
  437    H    TYR  57           H        TYR  57  -0.956   7.259  -3.849
  438    HA   TYR  57           HA       TYR  57   0.510   7.461  -6.439
  439    HB2  TYR  57           HB2      TYR  57  -2.285   6.476  -5.777
  440    HB3  TYR  57           HB3      TYR  57  -1.678   6.760  -7.411
  441    HD1  TYR  57           HD1      TYR  57   0.843   5.669  -7.704
  442    HD2  TYR  57           HD2      TYR  57  -2.363   4.194  -5.239
  443    HE1  TYR  57           HE1      TYR  57   1.800   3.383  -7.832
  444    HE2  TYR  57           HE2      TYR  57  -1.389   1.913  -5.355
  445    HH   TYR  57           HH       TYR  57   1.553   1.205  -7.257
  446    H    VAL  58           H        VAL  58  -0.975   8.634  -8.118
  447    HA   VAL  58           HA       VAL  58  -1.281  11.353  -7.205
  448    HB   VAL  58           HB       VAL  58  -1.902   9.932  -9.824
  449   HG11  VAL  58          HG11      VAL  58  -1.939  12.904  -9.161
  450   HG12  VAL  58          HG12      VAL  58  -2.004  12.219 -10.801
  451   HG13  VAL  58          HG13      VAL  58  -3.336  11.917  -9.665
  452   HG21  VAL  58          HG21      VAL  58   0.115  11.114 -10.595
  453   HG22  VAL  58          HG22      VAL  58   0.338  11.804  -8.973
  454   HG23  VAL  58          HG23      VAL  58   0.483  10.047  -9.220
  455    H    ASN  59           H        ASN  59  -3.494   8.601  -7.731
  456    HA   ASN  59           HA       ASN  59  -5.525  10.091  -6.276
  457    HB2  ASN  59           HB2      ASN  59  -7.139  10.340  -7.880
  458    HB3  ASN  59           HB3      ASN  59  -5.677  10.707  -8.817
  459   HD21  ASN  59          HD21      ASN  59  -4.690   8.410  -9.744
  460   HD22  ASN  59          HD22      ASN  59  -5.903   7.479 -10.585
  461    H    GLU  60           H        GLU  60  -7.604   8.754  -6.076
  462    HA   GLU  60           HA       GLU  60  -6.956   6.300  -4.839
  463    HB2  GLU  60           HB2      GLU  60  -8.869   7.726  -4.279
  464    HB3  GLU  60           HB3      GLU  60  -9.605   7.377  -5.861
  465    HG2  GLU  60           HG2      GLU  60  -9.746   4.985  -5.273
  466    HG3  GLU  60           HG3      GLU  60  -8.979   5.306  -3.712
  467    H    ARG  61           H        ARG  61  -7.953   6.948  -8.221
  468    HA   ARG  61           HA       ARG  61  -8.785   4.313  -8.856
  469    HB2  ARG  61           HB2      ARG  61  -9.231   6.130 -10.368
  470    HB3  ARG  61           HB3      ARG  61  -7.508   6.531 -10.487
  471    HG2  ARG  61           HG2      ARG  61  -8.354   5.361 -12.505
  472    HG3  ARG  61           HG3      ARG  61  -7.021   4.521 -11.701
  473    HD2  ARG  61           HD2      ARG  61  -8.715   2.915 -12.369
  474    HD3  ARG  61           HD3      ARG  61  -8.646   3.007 -10.598
  475    HE   ARG  61           HE       ARG  61 -10.620   4.830 -11.594
  476   HH11  ARG  61          HH11      ARG  61 -10.054   1.369 -11.135
  477   HH12  ARG  61          HH12      ARG  61 -11.750   0.992 -10.961
  478   HH21  ARG  61          HH21      ARG  61 -12.838   4.307 -11.365
  479   HH22  ARG  61          HH22      ARG  61 -13.318   2.645 -11.108
  480    H    ASN  62           H        ASN  62  -5.531   5.806  -8.758
  481    HA   ASN  62           HA       ASN  62  -4.226   3.494  -9.906
  482    HB2  ASN  62           HB2      ASN  62  -3.337   5.950  -8.377
  483    HB3  ASN  62           HB3      ASN  62  -2.188   4.669  -8.835
  484   HD21  ASN  62          HD21      ASN  62  -2.722   3.909 -11.289
  485   HD22  ASN  62          HD22      ASN  62  -2.754   5.244 -12.427
  486    H    ALA  63           H        ALA  63  -5.306   4.363  -6.678
  487    HA   ALA  63           HA       ALA  63  -3.647   2.391  -5.327
  488    HB1  ALA  63           HB1      ALA  63  -4.481   4.429  -4.200
  489    HB2  ALA  63           HB2      ALA  63  -6.155   3.865  -4.423
  490    HB3  ALA  63           HB3      ALA  63  -5.049   2.957  -3.380
  491    H    ARG  64           H        ARG  64  -6.929   2.496  -6.698
  492    HA   ARG  64           HA       ARG  64  -7.757  -0.062  -5.639
  493    HB2  ARG  64           HB2      ARG  64  -8.665   1.500  -8.100
  494    HB3  ARG  64           HB3      ARG  64  -9.509   0.097  -7.437
  495    HG2  ARG  64           HG2      ARG  64  -9.034   2.693  -5.920
  496    HG3  ARG  64           HG3      ARG  64 -10.514   2.292  -6.807
  497    HD2  ARG  64           HD2      ARG  64 -10.876   0.341  -5.335
  498    HD3  ARG  64           HD3      ARG  64  -9.379   0.736  -4.461
  499    HE   ARG  64           HE       ARG  64 -10.991   3.055  -4.463
  500   HH11  ARG  64          HH11      ARG  64 -11.187  -0.231  -3.125
  501   HH12  ARG  64          HH12      ARG  64 -12.088   0.314  -1.721
  502   HH21  ARG  64          HH21      ARG  64 -12.198   3.660  -2.669
  503   HH22  ARG  64          HH22      ARG  64 -12.676   2.460  -1.480
  504    H    ALA  65           H        ALA  65  -5.780   0.936  -8.389
  505    HA   ALA  65           HA       ALA  65  -6.039  -1.638  -9.750
  506    HB1  ALA  65           HB1      ALA  65  -4.106   0.688 -10.143
  507    HB2  ALA  65           HB2      ALA  65  -4.340  -0.679 -11.254
  508    HB3  ALA  65           HB3      ALA  65  -5.662   0.475 -10.979
  509    H    ALA  66           H        ALA  66  -3.760  -0.123  -7.439
  510    HA   ALA  66           HA       ALA  66  -1.840  -2.300  -7.756
  511    HB1  ALA  66           HB1      ALA  66  -1.213   0.031  -7.235
  512    HB2  ALA  66           HB2      ALA  66  -2.063  -0.105  -5.672
  513    HB3  ALA  66           HB3      ALA  66  -0.636  -1.120  -5.999
  514    H    VAL  67           H        VAL  67  -4.470  -1.430  -5.500
  515    HA   VAL  67           HA       VAL  67  -3.939  -3.505  -3.583
  516    HB   VAL  67           HB       VAL  67  -6.391  -1.904  -4.366
  517   HG11  VAL  67          HG11      VAL  67  -6.068  -3.892  -2.083
  518   HG12  VAL  67          HG12      VAL  67  -7.394  -2.715  -2.222
  519   HG13  VAL  67          HG13      VAL  67  -7.228  -3.999  -3.430
  520   HG21  VAL  67          HG21      VAL  67  -5.906  -0.695  -2.312
  521   HG22  VAL  67          HG22      VAL  67  -4.650  -1.878  -1.864
  522   HG23  VAL  67          HG23      VAL  67  -4.398  -0.789  -3.241
  523    H    ALA  68           H        ALA  68  -5.718  -3.400  -6.685
  524    HA   ALA  68           HA       ALA  68  -6.597  -6.184  -6.277
  525    HB1  ALA  68           HB1      ALA  68  -6.982  -4.270  -8.617
  526    HB2  ALA  68           HB2      ALA  68  -7.763  -5.855  -8.420
  527    HB3  ALA  68           HB3      ALA  68  -8.131  -4.539  -7.282
  528    H    GLY  69           H        GLY  69  -3.786  -4.637  -7.430
  529    HA2  GLY  69           HA2      GLY  69  -3.211  -6.766  -9.419
  530    HA3  GLY  69           HA3      GLY  69  -2.389  -5.212  -9.249
  531    H    GLU  70           H        GLU  70  -2.474  -6.009  -6.112
  532    HA   GLU  70           HA       GLU  70  -0.016  -7.727  -6.237
  533    HB2  GLU  70           HB2      GLU  70  -0.377  -5.023  -4.907
  534    HB3  GLU  70           HB3      GLU  70   0.935  -6.141  -4.494
  535    HG2  GLU  70           HG2      GLU  70   0.423  -5.160  -7.323
  536    HG3  GLU  70           HG3      GLU  70   1.508  -4.342  -6.190
  537    H    ASP  71           H        ASP  71  -2.981  -6.822  -4.523
  538    HA   ASP  71           HA       ASP  71  -2.278  -7.941  -1.994
  539    HB2  ASP  71           HB2      ASP  71  -4.283  -6.576  -2.313
  540    HB3  ASP  71           HB3      ASP  71  -4.960  -7.792  -3.409
  541    H    GLY  72           H        GLY  72  -1.625  -9.965  -1.546
  542    HA2  GLY  72           HA2      GLY  72  -1.882 -12.287  -1.410
  543    HA3  GLY  72           HA3      GLY  72  -3.107 -12.232  -2.694
  544    H    ARG  73           H        ARG  73  -0.361 -10.381  -3.531
  545    HA   ARG  73           HA       ARG  73   0.684 -12.402  -5.354
  546    HB2  ARG  73           HB2      ARG  73   2.105 -10.712  -6.147
  547    HB3  ARG  73           HB3      ARG  73   0.594  -9.886  -5.749
  548    HG2  ARG  73           HG2      ARG  73   1.894  -8.446  -4.577
  549    HG3  ARG  73           HG3      ARG  73   1.974  -9.724  -3.351
  550    HD2  ARG  73           HD2      ARG  73   4.216  -8.986  -3.859
  551    HD3  ARG  73           HD3      ARG  73   4.033 -10.606  -4.574
  552    HE   ARG  73           HE       ARG  73   3.547  -8.153  -6.189
  553   HH11  ARG  73          HH11      ARG  73   5.489 -11.092  -5.705
  554   HH12  ARG  73          HH12      ARG  73   6.254 -10.953  -7.265
  555   HH21  ARG  73          HH21      ARG  73   4.554  -8.020  -8.170
  556   HH22  ARG  73          HH22      ARG  73   5.739  -9.213  -8.666
  557    H    MET  74           H        MET  74   3.220 -12.792  -5.152
  558    HA   MET  74           HA       MET  74   3.727 -13.395  -2.269
  559    HB2  MET  74           HB2      MET  74   3.200 -15.344  -3.712
  560    HB3  MET  74           HB3      MET  74   4.643 -14.996  -4.684
  561    HG2  MET  74           HG2      MET  74   6.097 -15.416  -2.857
  562    HG3  MET  74           HG3      MET  74   4.787 -15.281  -1.674
  563    HE1  MET  74           HE1      MET  74   3.128 -17.048  -1.011
  564    HE2  MET  74           HE2      MET  74   2.441 -16.944  -2.639
  565    HE3  MET  74           HE3      MET  74   2.804 -18.536  -1.927
  566    H    ILE  75           H        ILE  75   5.335 -12.311  -1.419
  567    HA   ILE  75           HA       ILE  75   7.611 -11.555  -3.177
  568    HB   ILE  75           HB       ILE  75   5.722  -9.820  -1.819
  569   HG12  ILE  75          HG12      ILE  75   8.121  -9.354  -3.629
  570   HG13  ILE  75          HG11      ILE  75   6.468  -9.716  -4.152
  571   HG21  ILE  75          HG21      ILE  75   8.652  -9.406  -1.095
  572   HG22  ILE  75          HG22      ILE  75   7.311  -8.263  -0.793
  573   HG23  ILE  75          HG23      ILE  75   7.340  -9.823   0.034
  574   HD11  ILE  75          HD11      ILE  75   5.682  -7.589  -3.120
  575   HD12  ILE  75          HD12      ILE  75   7.361  -7.219  -2.634
  576   HD13  ILE  75          HD13      ILE  75   6.931  -7.313  -4.347
  577    H    ALA  76           H        ALA  76   9.611 -11.852  -2.364
  578    HA   ALA  76           HA       ALA  76  11.159 -12.962  -1.169
  579    HB1  ALA  76           HB1      ALA  76   9.671 -11.865   1.232
  580    HB2  ALA  76           HB2      ALA  76  11.371 -12.392   1.171
  581    HB3  ALA  76           HB3      ALA  76  10.853 -10.958   0.249
  582    H    GLY  77           H        GLY  77   8.435 -14.318  -1.704
  583    HA2  GLY  77           HA2      GLY  77   7.947 -16.587  -1.549
  584    HA3  GLY  77           HA3      GLY  77   9.057 -16.740  -0.168
  585    H    GLN  78           H        GLN  78   7.115 -14.014   0.373
  586    HA   GLN  78           HA       GLN  78   5.097 -15.607   1.878
  587    HB2  GLN  78           HB2      GLN  78   6.763 -14.829   3.396
  588    HB3  GLN  78           HB3      GLN  78   6.771 -13.221   2.666
  589    HG2  GLN  78           HG2      GLN  78   4.078 -13.812   3.537
  590    HG3  GLN  78           HG3      GLN  78   5.208 -14.144   4.863
  591   HE21  GLN  78          HE21      GLN  78   4.964 -11.715   2.196
  592   HE22  GLN  78          HE22      GLN  78   5.167 -10.322   3.241
  593    H    VAL  79           H        VAL  79   3.046 -15.072   1.581
  594    HA   VAL  79           HA       VAL  79   2.212 -13.359  -0.550
  595    HB   VAL  79           HB       VAL  79   0.639 -14.551   1.774
  596   HG11  VAL  79          HG11      VAL  79  -0.215 -13.583  -0.984
  597   HG12  VAL  79          HG12      VAL  79  -1.268 -14.415   0.189
  598   HG13  VAL  79          HG13      VAL  79  -0.624 -12.810   0.571
  599   HG21  VAL  79          HG21      VAL  79   1.847 -16.290   0.530
  600   HG22  VAL  79          HG22      VAL  79   0.113 -16.360   0.171
  601   HG23  VAL  79          HG23      VAL  79   1.223 -15.637  -1.011
  602    H    LEU  80           H        LEU  80   1.392 -11.321  -0.598
  603    HA   LEU  80           HA       LEU  80   1.721  -9.711   1.872
  604    HB2  LEU  80           HB2      LEU  80   1.145  -8.771  -0.960
  605    HB3  LEU  80           HB3      LEU  80   1.582  -7.776   0.431
  606    HG   LEU  80           HG       LEU  80   3.339  -9.799  -1.011
  607   HD11  LEU  80          HD11      LEU  80   3.444  -6.786  -0.569
  608   HD12  LEU  80          HD12      LEU  80   4.735  -7.748  -1.321
  609   HD13  LEU  80          HD13      LEU  80   3.136  -7.625  -2.104
  610   HD21  LEU  80          HD21      LEU  80   3.775  -9.966   1.398
  611   HD22  LEU  80          HD22      LEU  80   5.107  -9.126   0.593
  612   HD23  LEU  80          HD23      LEU  80   3.897  -8.187   1.512
  613    H    ASP  81           H        ASP  81   0.115  -8.237   2.581
  614    HA   ASP  81           HA       ASP  81  -2.655  -8.815   1.638
  615    HB2  ASP  81           HB2      ASP  81  -1.599  -8.437   4.454
  616    HB3  ASP  81           HB3      ASP  81  -3.302  -8.194   4.032
  617    H    ILE  82           H        ILE  82  -3.115  -7.118   0.387
  618    HA   ILE  82           HA       ILE  82  -2.097  -4.435   1.200
  619    HB   ILE  82           HB       ILE  82  -2.362  -5.745  -1.510
  620   HG12  ILE  82          HG12      ILE  82   0.069  -4.529  -0.144
  621   HG13  ILE  82          HG11      ILE  82  -0.387  -6.217   0.143
  622   HG21  ILE  82          HG21      ILE  82  -1.527  -2.900  -0.792
  623   HG22  ILE  82          HG22      ILE  82  -1.448  -3.623  -2.414
  624   HG23  ILE  82          HG23      ILE  82  -3.019  -3.349  -1.651
  625   HD11  ILE  82          HD11      ILE  82   0.161  -5.059  -2.593
  626   HD12  ILE  82          HD12      ILE  82   1.290  -6.039  -1.620
  627   HD13  ILE  82          HD13      ILE  82  -0.235  -6.756  -2.184
  628    H    ASN  83           H        ASN  83  -3.501  -2.720   1.132
  629    HA   ASN  83           HA       ASN  83  -6.123  -2.872  -0.123
  630    HB2  ASN  83           HB2      ASN  83  -7.326  -2.551   2.071
  631    HB3  ASN  83           HB3      ASN  83  -6.652  -4.167   1.838
  632   HD21  ASN  83          HD21      ASN  83  -6.001  -0.990   3.414
  633   HD22  ASN  83          HD22      ASN  83  -5.066  -1.665   4.722
  634    H    LEU  84           H        LEU  84  -7.412  -0.783   0.484
  635    HA   LEU  84           HA       LEU  84  -5.728   1.505   0.136
  636    HB2  LEU  84           HB2      LEU  84  -8.604   1.260   1.108
  637    HB3  LEU  84           HB3      LEU  84  -7.808   2.786   0.744
  638    HG   LEU  84           HG       LEU  84  -9.194   2.244  -1.092
  639   HD11  LEU  84          HD11      LEU  84  -6.338   1.573  -1.885
  640   HD12  LEU  84          HD12      LEU  84  -7.614   2.233  -2.935
  641   HD13  LEU  84          HD13      LEU  84  -6.973   3.211  -1.600
  642   HD21  LEU  84          HD21      LEU  84  -9.020   0.209  -2.419
  643   HD22  LEU  84          HD22      LEU  84  -7.748  -0.424  -1.369
  644   HD23  LEU  84          HD23      LEU  84  -9.397  -0.196  -0.728
  645    H    ALA  85           H        ALA  85  -5.200   3.175   1.613
  646    HA   ALA  85           HA       ALA  85  -4.647   2.314   4.293
  647    HB1  ALA  85           HB1      ALA  85  -3.783   4.604   4.570
  648    HB2  ALA  85           HB2      ALA  85  -3.224   3.890   3.036
  649    HB3  ALA  85           HB3      ALA  85  -4.537   5.089   3.036
  650    H    ALA  86           H        ALA  86  -7.606   2.988   3.055
  651    HA   ALA  86           HA       ALA  86  -8.602   3.990   5.669
  652    HB1  ALA  86           HB1      ALA  86  -9.417   4.996   2.908
  653    HB2  ALA  86           HB2      ALA  86 -10.141   5.509   4.453
  654    HB3  ALA  86           HB3      ALA  86  -8.443   5.896   4.091
  655    H    GLU  87           H        GLU  87  -8.698   1.580   3.347
  656    HA   GLU  87           HA       GLU  87 -11.301   0.630   4.398
  657    HB2  GLU  87           HB2      GLU  87 -10.579   0.674   1.439
  658    HB3  GLU  87           HB3      GLU  87 -11.969  -0.140   2.165
  659    HG2  GLU  87           HG2      GLU  87 -12.774   2.056   3.037
  660    HG3  GLU  87           HG3      GLU  87 -11.433   2.856   2.201
  661    HA   PRO  88           HA       PRO  88  -7.778  -2.409   4.485
  662    HB2  PRO  88           HB2      PRO  88  -8.174  -3.259   7.086
  663    HB3  PRO  88           HB3      PRO  88  -7.161  -1.869   6.621
  664    HG2  PRO  88           HG2      PRO  88 -10.032  -1.816   7.575
  665    HG3  PRO  88           HG3      PRO  88  -8.660  -0.771   8.091
  666    HD2  PRO  88           HD2      PRO  88 -10.482   0.059   6.255
  667    HD3  PRO  88           HD3      PRO  88  -8.753   0.495   6.117
  668    H    LYS  89           H        LYS  89  -8.012  -4.667   4.239
  669    HA   LYS  89           HA       LYS  89 -10.361  -5.324   2.890
  670    HB2  LYS  89           HB2      LYS  89  -9.493  -7.729   3.145
  671    HB3  LYS  89           HB3      LYS  89  -8.516  -6.550   2.256
  672    HG2  LYS  89           HG2      LYS  89  -7.007  -6.259   4.141
  673    HG3  LYS  89           HG3      LYS  89  -8.032  -7.257   5.189
  674    HD2  LYS  89           HD2      LYS  89  -6.175  -8.591   4.433
  675    HD3  LYS  89           HD3      LYS  89  -7.672  -9.198   3.696
  676    HE2  LYS  89           HE2      LYS  89  -7.128  -7.898   1.620
  677    HE3  LYS  89           HE3      LYS  89  -5.609  -7.379   2.372
  678    HZ1  LYS  89           HZ1      LYS  89  -5.230  -9.235   0.974
  679    HZ2  LYS  89           HZ2      LYS  89  -5.012  -9.731   2.525
  680    HZ3  LYS  89           HZ3      LYS  89  -6.382 -10.143   1.723
  681    H    VAL  90           H        VAL  90  -9.408  -6.879   6.009
  682    HA   VAL  90           HA       VAL  90 -12.237  -6.698   6.850
  683    HB   VAL  90           HB       VAL  90 -10.691  -9.321   6.740
  684   HG11  VAL  90          HG11      VAL  90 -13.494  -8.668   7.742
  685   HG12  VAL  90          HG12      VAL  90 -12.771 -10.295   7.655
  686   HG13  VAL  90          HG13      VAL  90 -12.104  -9.075   8.763
  687   HG21  VAL  90          HG21      VAL  90 -11.586  -8.776   4.531
  688   HG22  VAL  90          HG22      VAL  90 -12.536 -10.081   5.265
  689   HG23  VAL  90          HG23      VAL  90 -13.184  -8.424   5.241
  690    H    ASN  91           H        ASN  91  -8.837  -7.571   7.556
  691    HA   ASN  91           HA       ASN  91  -9.305  -6.772  10.373
  692    HB2  ASN  91           HB2      ASN  91  -7.792  -9.229   9.423
  693    HB3  ASN  91           HB3      ASN  91  -7.875  -8.655  11.099
  694   HD21  ASN  91          HD21      ASN  91  -9.389 -10.549   8.665
  695   HD22  ASN  91          HD22      ASN  91 -10.844 -10.950   9.559
  696    H    ARG  92           H        ARG  92  -7.233  -6.382  11.530
  697    HA   ARG  92           HA       ARG  92  -4.869  -5.759   9.823
  698    HB2  ARG  92           HB2      ARG  92  -6.002  -3.644  10.417
  699    HB3  ARG  92           HB3      ARG  92  -5.934  -4.096  12.134
  700    HG2  ARG  92           HG2      ARG  92  -3.421  -4.321  11.901
  701    HG3  ARG  92           HG3      ARG  92  -3.575  -3.722  10.235
  702    HD2  ARG  92           HD2      ARG  92  -2.889  -1.951  11.738
  703    HD3  ARG  92           HD3      ARG  92  -4.510  -1.612  11.078
  704    HE   ARG  92           HE       ARG  92  -5.463  -1.929  13.197
  705   HH11  ARG  92          HH11      ARG  92  -1.969  -2.629  13.312
  706   HH12  ARG  92          HH12      ARG  92  -1.946  -2.664  15.052
  707   HH21  ARG  92          HH21      ARG  92  -5.346  -1.955  15.459
  708   HH22  ARG  92          HH22      ARG  92  -3.828  -2.293  16.258
  709    H    GLY  93           H        GLY  93  -4.079  -7.856  10.435
  710    HA2  GLY  93           HA2      GLY  93  -3.809  -8.353  13.357
  711    HA3  GLY  93           HA3      GLY  93  -3.808  -9.593  12.082
  712    H    LYS  94           H        LYS  94  -1.879 -10.550  12.168
  713    HA   LYS  94           HA       LYS  94   0.555  -8.833  11.993
  714    HB2  LYS  94           HB2      LYS  94   0.142  -9.741  14.291
  715    HB3  LYS  94           HB3      LYS  94   0.293 -11.384  13.615
  716    HG2  LYS  94           HG2      LYS  94   2.561 -10.910  12.866
  717    HG3  LYS  94           HG3      LYS  94   2.392  -9.197  13.320
  718    HD2  LYS  94           HD2      LYS  94   2.147  -9.818  15.680
  719    HD3  LYS  94           HD3      LYS  94   2.221 -11.543  15.257
  720    HE2  LYS  94           HE2      LYS  94   4.408 -10.822  16.073
  721    HE3  LYS  94           HE3      LYS  94   4.503 -11.221  14.351
  722    HZ1  LYS  94           HZ1      LYS  94   4.381  -8.876  13.867
  723    HZ2  LYS  94           HZ2      LYS  94   4.256  -8.503  15.467
  724    HZ3  LYS  94           HZ3      LYS  94   5.639  -9.176  14.878
  725    H    ALA  95           H        ALA  95  -1.200 -11.754  11.048
  726    HA   ALA  95           HA       ALA  95   0.703 -12.148   8.835
  727    HB1  ALA  95           HB1      ALA  95   0.051 -14.313  10.878
  728    HB2  ALA  95           HB2      ALA  95   0.982 -14.536   9.369
  729    HB3  ALA  95           HB3      ALA  95   1.620 -13.506  10.676
  730    H    GLY  96           H        GLY  96  -0.265 -13.015   7.033
  731    HA2  GLY  96           HA2      GLY  96  -3.194 -13.251   7.073
  732    HA3  GLY  96           HA3      GLY  96  -2.125 -13.257   5.653
  733    H    VAL  97           H        VAL  97  -0.687 -15.372   7.728
  734    HA   VAL  97           HA       VAL  97  -2.312 -17.685   6.785
  735    HB   VAL  97           HB       VAL  97   0.721 -17.554   7.012
  736   HG11  VAL  97          HG11      VAL  97   0.574 -19.733   5.792
  737   HG12  VAL  97          HG12      VAL  97  -0.182 -19.809   7.392
  738   HG13  VAL  97          HG13      VAL  97  -1.194 -19.677   5.929
  739   HG21  VAL  97          HG21      VAL  97  -0.043 -16.189   5.129
  740   HG22  VAL  97          HG22      VAL  97   0.671 -17.701   4.534
  741   HG23  VAL  97          HG23      VAL  97  -1.096 -17.513   4.565
  742    H    LYS  98           H        LYS  98  -2.712 -19.261   8.238
  743    HA   LYS  98           HA       LYS  98  -1.736 -18.837  11.026
  744    HB2  LYS  98           HB2      LYS  98  -4.461 -19.837  10.120
  745    HB3  LYS  98           HB3      LYS  98  -3.940 -19.614  11.795
  746    HG2  LYS  98           HG2      LYS  98  -4.203 -17.399   9.717
  747    HG3  LYS  98           HG3      LYS  98  -5.364 -17.760  11.002
  748    HD2  LYS  98           HD2      LYS  98  -3.661 -17.257  12.719
  749    HD3  LYS  98           HD3      LYS  98  -2.464 -16.929  11.448
  750    HE2  LYS  98           HE2      LYS  98  -3.355 -14.829  12.246
  751    HE3  LYS  98           HE3      LYS  98  -3.876 -15.098  10.580
  752    HZ1  LYS  98           HZ1      LYS  98  -5.673 -14.325  11.967
  753    HZ2  LYS  98           HZ2      LYS  98  -5.998 -15.842  11.434
  754    HZ3  LYS  98           HZ3      LYS  98  -5.500 -15.609  12.982
  755    H    ARG  99           H        ARG  99  -0.536 -20.502   8.931
  756    HA   ARG  99           HA       ARG  99  -0.690 -23.121  10.315
  757    HB2  ARG  99           HB2      ARG  99  -2.085 -22.884   8.099
  758    HB3  ARG  99           HB3      ARG  99  -0.510 -22.905   7.296
  759    HG2  ARG  99           HG2      ARG  99  -1.459 -25.136   7.314
  760    HG3  ARG  99           HG3      ARG  99  -0.052 -25.132   8.386
  761    HD2  ARG  99           HD2      ARG  99  -1.563 -24.886  10.350
  762    HD3  ARG  99           HD3      ARG  99  -2.959 -24.865   9.257
  763    HE   ARG  99           HE       ARG  99  -1.308 -27.204   8.858
  764   HH11  ARG  99          HH11      ARG  99  -3.790 -25.844  10.984
  765   HH12  ARG  99          HH12      ARG  99  -4.376 -27.413  11.486
  766   HH21  ARG  99          HH21      ARG  99  -2.080 -29.216   9.536
  767   HH22  ARG  99          HH22      ARG  99  -3.409 -29.322  10.673
  768    H    SER 100           H        SER 100   1.220 -24.556   9.420
  769    HA   SER 100           HA       SER 100   3.665 -23.304  10.058
  770    HB2  SER 100           HB2      SER 100   2.995 -25.848   8.532
  771    HB3  SER 100           HB3      SER 100   4.620 -25.444   9.107
  772    HG   SER 100           HG       SER 100   3.804 -25.421  11.221
  773    H    ALA 101           H        ALA 101   1.882 -23.266   7.076
  774    HA   ALA 101           HA       ALA 101   2.354 -22.693   4.962
  775    HB1  ALA 101           HB1      ALA 101   3.708 -20.692   4.660
  776    HB2  ALA 101           HB2      ALA 101   2.691 -20.543   6.115
  777    HB3  ALA 101           HB3      ALA 101   4.424 -20.904   6.275
  778    H    ALA 102           H        ALA 102   4.061 -24.894   6.274
  779    HA   ALA 102           HA       ALA 102   5.867 -25.240   3.965
  780    HB1  ALA 102           HB1      ALA 102   6.830 -25.308   6.856
  781    HB2  ALA 102           HB2      ALA 102   7.800 -25.718   5.423
  782    HB3  ALA 102           HB3      ALA 102   7.222 -24.053   5.656
  783    H    GLU 103           H        GLU 103   3.435 -26.487   5.764
  784    HA   GLU 103           HA       GLU 103   4.458 -29.105   6.393
  785    HB2  GLU 103           HB2      GLU 103   2.101 -29.644   6.833
  786    HB3  GLU 103           HB3      GLU 103   2.591 -28.127   7.614
  787    HG2  GLU 103           HG2      GLU 103   1.491 -26.815   5.877
  788    HG3  GLU 103           HG3      GLU 103   1.141 -28.277   4.941
  789    H    MET 104           H        MET 104   3.728 -27.655   3.444
  790    HA   MET 104           HA       MET 104   2.861 -30.177   2.151
  791    HB2  MET 104           HB2      MET 104   2.966 -27.309   1.157
  792    HB3  MET 104           HB3      MET 104   2.419 -28.699   0.192
  793    HG2  MET 104           HG2      MET 104   0.631 -29.159   1.785
  794    HG3  MET 104           HG3      MET 104   1.180 -27.852   2.836
  795    HE1  MET 104           HE1      MET 104   0.269 -24.628   0.956
  796    HE2  MET 104           HE2      MET 104   0.914 -25.376   2.437
  797    HE3  MET 104           HE3      MET 104   1.842 -25.451   0.922
  798    H    TYR 105           H        TYR 105   5.743 -28.988   3.063
  799    HA   TYR 105           HA       TYR 105   7.103 -29.993   0.615
  800    HB2  TYR 105           HB2      TYR 105   7.988 -27.602   2.258
  801    HB3  TYR 105           HB3      TYR 105   8.747 -28.219   0.796
  802    HD1  TYR 105           HD1      TYR 105   7.680 -27.873  -1.420
  803    HD2  TYR 105           HD2      TYR 105   5.973 -26.281   2.187
  804    HE1  TYR 105           HE1      TYR 105   6.234 -26.369  -2.772
  805    HE2  TYR 105           HE2      TYR 105   4.521 -24.775   0.847
  806    HH   TYR 105           HH       TYR 105   4.612 -24.757  -2.738
  807    H    GLY 106           H        GLY 106   6.483 -30.649   3.741
  808    HA2  GLY 106           HA2      GLY 106   8.668 -32.453   4.066
  809    HA3  GLY 106           HA3      GLY 106   8.952 -30.999   5.042
  810    H5'    U   1           H5'        U   1   3.239  -6.659  10.896
  811   H5''    U   1          H5''        U   1   1.643  -7.351  10.585
  812    H4'    U   1           H4'        U   1   2.902  -4.873   9.340
  813    H3'    U   1           H3'        U   1   1.502  -5.078  11.653
  814    H2'    U   1           H2'        U   1  -0.324  -6.279  10.809
  815   HO2'    U   1          HO2'        U   1  -0.957  -3.927  11.441
  816    H1'    U   1           H1'        U   1  -0.551  -4.615   8.337
  817    H3     U   1           H3         U   1  -3.601  -7.415   6.598
  818    H5     U   1           H5         U   1  -1.236  -9.980   8.937
  819    H6     U   1           H6         U   1   0.130  -8.079   9.546
  820    H5'    U   2           H5'        U   2  -0.946  -0.883  10.574
  821   H5''    U   2          H5''        U   2   0.334  -0.916   9.338
  822    H4'    U   2           H4'        U   2   0.992   1.416  10.111
  823    H3'    U   2           H3'        U   2  -0.572   1.009  12.322
  824    H2'    U   2           H2'        U   2  -2.532   0.470  11.037
  825   HO2'    U   2          HO2'        U   2  -2.619   3.230  11.734
  826    H1'    U   2           H1'        U   2  -1.963   2.982   9.457
  827    H3     U   2           H3         U   2  -5.318   2.699   6.537
  828    H5     U   2           H5         U   2  -4.986  -1.260   7.894
  829    H6     U   2           H6         U   2  -3.122  -0.581   9.272
  830    H5'    U   3           H5'        U   3   2.654   2.294  10.634
  831   H5''    U   3          H5''        U   3   3.592   2.901  12.010
  832    H4'    U   3           H4'        U   3   4.877   3.420  10.104
  833    H3'    U   3           H3'        U   3   4.067   5.451  11.751
  834    H2'    U   3           H2'        U   3   2.214   6.161  10.471
  835   HO2'    U   3          HO2'        U   3   4.059   7.829  10.456
  836    H1'    U   3           H1'        U   3   3.769   5.805   7.910
  837    H3     U   3           H3         U   3   0.169   6.560   5.336
  838    H5     U   3           H5         U   3  -1.513   4.896   8.812
  839    H6     U   3           H6         U   3   0.717   4.693   9.724
  840    H5'    U   4           H5'        U   4   8.005   4.832  10.026
  841   H5''    U   4          H5''        U   4   9.094   5.525  11.236
  842    H4'    U   4           H4'        U   4  10.229   4.930   9.104
  843    H3'    U   4           H3'        U   4  10.768   7.154  10.596
  844    H2'    U   4           H2'        U   4   9.210   8.579   9.471
  845   HO2'    U   4          HO2'        U   4  10.503   9.860   7.994
  846    H1'    U   4           H1'        U   4  10.114   7.526   6.793
  847    H3     U   4           H3         U   4   7.379  10.995   5.563
  848    H5     U   4           H5         U   4   4.843   8.137   7.312
  849    H6     U   4           H6         U   4   6.798   6.957   8.076
  850    H5'    C   5           H5'        C   5  14.161   8.310   9.513
  851   H5''    C   5          H5''        C   5  15.487   7.149   9.733
  852    H4'    C   5           H4'        C   5  14.320   8.880  11.958
  853    H3'    C   5           H3'        C   5  15.823   9.873   9.865
  854    H2'    C   5           H2'        C   5  17.618   8.315  10.175
  855   HO2'    C   5          HO2'        C   5  19.308   9.537  11.147
  856    H1'    C   5           H1'        C   5  17.326   8.912  13.140
  857    H41    C   5           H41        C   5  21.113   3.494  12.318
  858    H42    C   5           H42        C   5  21.912   4.445  13.557
  859    H5     C   5           H5         C   5  21.106   6.637  14.268
  860    H6     C   5           H6         C   5  19.357   8.291  13.952
  Start of MODEL    7
    1    H1   ALA   2           H1       ALA   2  11.482   8.845  -5.835
    2    H2   ALA   2           H2       ALA   2  11.125   7.424  -5.067
    3    H3   ALA   2           H3       ALA   2  10.514   7.726  -6.576
    4    HA   ALA   2           HA       ALA   2   9.206   9.535  -5.755
    5    HB1  ALA   2           HB1      ALA   2   7.574   8.216  -4.491
    6    HB2  ALA   2           HB2      ALA   2   8.202   7.292  -5.870
    7    HB3  ALA   2           HB3      ALA   2   8.791   6.943  -4.230
    8    H    SER   3           H        SER   3   8.187  10.478  -3.753
    9    HA   SER   3           HA       SER   3  10.225  11.431  -1.969
   10    HB2  SER   3           HB2      SER   3   8.267  12.767  -2.663
   11    HB3  SER   3           HB3      SER   3   7.195  11.633  -1.805
   12    HG   SER   3           HG       SER   3   7.793  13.522  -0.591
   13    H    ASN   4           H        ASN   4  10.198  11.244   0.401
   14    HA   ASN   4           HA       ASN   4   9.737   8.466   1.226
   15    HB2  ASN   4           HB2      ASN   4  10.906  10.908   2.631
   16    HB3  ASN   4           HB3      ASN   4  10.794   9.310   3.367
   17   HD21  ASN   4          HD21      ASN   4  13.243  10.632   3.074
   18   HD22  ASN   4          HD22      ASN   4  14.213   9.770   1.897
   19    H    VAL   5           H        VAL   5   7.747  11.145   1.007
   20    HA   VAL   5           HA       VAL   5   6.461  10.758   3.627
   21    HB   VAL   5           HB       VAL   5   6.021  12.799   1.428
   22   HG11  VAL   5          HG11      VAL   5   4.812  12.592   4.225
   23   HG12  VAL   5          HG12      VAL   5   4.641  13.973   3.128
   24   HG13  VAL   5          HG13      VAL   5   3.921  12.414   2.691
   25   HG21  VAL   5          HG21      VAL   5   7.282  12.927   4.205
   26   HG22  VAL   5          HG22      VAL   5   8.163  13.016   2.663
   27   HG23  VAL   5          HG23      VAL   5   7.045  14.316   3.110
   28    H    THR   6           H        THR   6   4.587   9.829   4.004
   29    HA   THR   6           HA       THR   6   2.749   9.102   1.825
   30    HB   THR   6           HB       THR   6   2.726   6.723   2.533
   31    HG1  THR   6           HG1      THR   6   3.541   6.921   4.606
   32   HG21  THR   6          HG21      THR   6   5.554   7.556   1.799
   33   HG22  THR   6          HG22      THR   6   4.785   5.981   1.529
   34   HG23  THR   6          HG23      THR   6   4.194   7.399   0.638
   35    H    ASN   7           H        ASN   7   3.062  10.511   4.806
   36    HA   ASN   7           HA       ASN   7   0.778   9.019   5.947
   37    HB2  ASN   7           HB2      ASN   7   1.478   9.691   8.115
   38    HB3  ASN   7           HB3      ASN   7   2.859   9.039   7.245
   39   HD21  ASN   7          HD21      ASN   7   3.820  10.243   9.184
   40   HD22  ASN   7          HD22      ASN   7   4.306  11.904   8.897
   41    H    LYS   8           H        LYS   8   0.625  11.335   3.912
   42    HA   LYS   8           HA       LYS   8  -0.613  13.521   5.274
   43    HB2  LYS   8           HB2      LYS   8  -0.970  12.481   2.441
   44    HB3  LYS   8           HB3      LYS   8  -1.593  14.032   3.056
   45    HG2  LYS   8           HG2      LYS   8   0.771  14.641   3.703
   46    HG3  LYS   8           HG3      LYS   8   1.329  13.185   2.851
   47    HD2  LYS   8           HD2      LYS   8  -0.243  15.497   1.642
   48    HD3  LYS   8           HD3      LYS   8   1.492  15.201   1.424
   49    HE2  LYS   8           HE2      LYS   8   0.999  13.050   0.311
   50    HE3  LYS   8           HE3      LYS   8  -0.735  13.310   0.568
   51    HZ1  LYS   8           HZ1      LYS   8   1.026  15.043  -1.033
   52    HZ2  LYS   8           HZ2      LYS   8  -0.044  13.951  -1.641
   53    HZ3  LYS   8           HZ3      LYS   8  -0.590  15.255  -0.811
   54    H    THR   9           H        THR   9  -2.732  13.930   5.807
   55    HA   THR   9           HA       THR   9  -4.479  11.516   5.874
   56    HB   THR   9           HB       THR   9  -5.461  12.480   7.916
   57    HG1  THR   9           HG1      THR   9  -4.408  14.260   8.837
   58   HG21  THR   9          HG21      THR   9  -3.553  12.073   9.390
   59   HG22  THR   9          HG22      THR   9  -3.546  10.902   8.048
   60   HG23  THR   9          HG23      THR   9  -2.424  12.283   8.034
   61    H    ASP  10           H        ASP  10  -4.246  13.965   3.882
   62    HA   ASP  10           HA       ASP  10  -6.730  15.344   4.085
   63    HB2  ASP  10           HB2      ASP  10  -4.979  14.742   1.672
   64    HB3  ASP  10           HB3      ASP  10  -6.298  15.919   1.690
   65    HA   PRO  11           HA       PRO  11  -9.680  12.394   2.958
   66    HB2  PRO  11           HB2      PRO  11 -11.602  13.858   1.646
   67    HB3  PRO  11           HB3      PRO  11 -11.234  14.037   3.396
   68    HG2  PRO  11           HG2      PRO  11 -10.149  15.696   1.095
   69    HG3  PRO  11           HG3      PRO  11 -10.931  16.282   2.604
   70    HD2  PRO  11           HD2      PRO  11  -8.245  16.165   2.389
   71    HD3  PRO  11           HD3      PRO  11  -9.043  15.662   3.908
   72    H    ARG  12           H        ARG  12  -7.646  13.599   0.605
   73    HA   ARG  12           HA       ARG  12  -8.765  11.677  -1.389
   74    HB2  ARG  12           HB2      ARG  12  -8.715  14.396  -1.735
   75    HB3  ARG  12           HB3      ARG  12  -7.148  13.942  -2.421
   76    HG2  ARG  12           HG2      ARG  12  -9.858  12.765  -3.176
   77    HG3  ARG  12           HG3      ARG  12  -8.983  13.996  -4.095
   78    HD2  ARG  12           HD2      ARG  12  -7.097  12.367  -4.405
   79    HD3  ARG  12           HD3      ARG  12  -8.087  11.136  -3.593
   80    HE   ARG  12           HE       ARG  12  -9.470  10.988  -5.473
   81   HH11  ARG  12          HH11      ARG  12  -7.173  13.646  -5.855
   82   HH12  ARG  12          HH12      ARG  12  -7.519  13.856  -7.557
   83   HH21  ARG  12          HH21      ARG  12  -9.918  11.301  -7.688
   84   HH22  ARG  12          HH22      ARG  12  -9.070  12.537  -8.583
   85    H    SER  13           H        SER  13  -5.971  13.039   0.294
   86    HA   SER  13           HA       SER  13  -4.037  11.548  -1.297
   87    HB2  SER  13           HB2      SER  13  -3.775  13.043   1.341
   88    HB3  SER  13           HB3      SER  13  -2.432  12.330   0.432
   89    HG   SER  13           HG       SER  13  -4.195  14.339  -0.518
   90    H    MET  14           H        MET  14  -5.951  10.920   1.656
   91    HA   MET  14           HA       MET  14  -4.235   8.596   2.185
   92    HB2  MET  14           HB2      MET  14  -5.272   8.334   4.199
   93    HB3  MET  14           HB3      MET  14  -5.246  10.090   3.988
   94    HG2  MET  14           HG2      MET  14  -7.598  10.084   3.352
   95    HG3  MET  14           HG3      MET  14  -7.633   8.318   3.353
   96    HE1  MET  14           HE1      MET  14  -7.114   6.829   5.494
   97    HE2  MET  14           HE2      MET  14  -5.765   7.796   6.124
   98    HE3  MET  14           HE3      MET  14  -7.150   7.433   7.164
   99    H    ASN  15           H        ASN  15  -6.667   9.234   0.010
  100    HA   ASN  15           HA       ASN  15  -7.594   6.406   0.023
  101    HB2  ASN  15           HB2      ASN  15  -8.683   8.911  -1.301
  102    HB3  ASN  15           HB3      ASN  15  -9.268   7.279  -1.655
  103   HD21  ASN  15          HD21      ASN  15  -9.593   9.969   0.461
  104   HD22  ASN  15          HD22      ASN  15 -10.546   9.180   1.692
  105    H    SER  16           H        SER  16  -5.612   8.747  -1.726
  106    HA   SER  16           HA       SER  16  -5.184   6.884  -3.944
  107    HB2  SER  16           HB2      SER  16  -3.622   8.602  -4.742
  108    HB3  SER  16           HB3      SER  16  -5.220   9.286  -4.368
  109    HG   SER  16           HG       SER  16  -3.555  10.556  -3.508
  110    H    ARG  17           H        ARG  17  -4.342   6.688  -0.818
  111    HA   ARG  17           HA       ARG  17  -1.543   5.794  -1.282
  112    HB2  ARG  17           HB2      ARG  17  -1.963   7.366   0.554
  113    HB3  ARG  17           HB3      ARG  17  -3.100   6.203   1.286
  114    HG2  ARG  17           HG2      ARG  17  -1.395   4.633   1.752
  115    HG3  ARG  17           HG3      ARG  17  -0.253   5.397   0.623
  116    HD2  ARG  17           HD2      ARG  17   0.356   5.869   2.939
  117    HD3  ARG  17           HD3      ARG  17  -0.029   7.328   2.019
  118    HE   ARG  17           HE       ARG  17  -1.788   6.054   4.080
  119   HH11  ARG  17          HH11      ARG  17  -0.956   8.870   2.076
  120   HH12  ARG  17          HH12      ARG  17  -1.913   9.962   3.055
  121   HH21  ARG  17          HH21      ARG  17  -2.980   7.523   5.310
  122   HH22  ARG  17          HH22      ARG  17  -3.048   9.215   4.847
  123    H    VAL  18           H        VAL  18  -0.896   3.703  -0.586
  124    HA   VAL  18           HA       VAL  18  -3.094   1.745  -0.127
  125    HB   VAL  18           HB       VAL  18  -0.678   1.408  -1.947
  126   HG11  VAL  18          HG11      VAL  18  -2.886  -0.521  -1.107
  127   HG12  VAL  18          HG12      VAL  18  -1.724  -0.806  -2.428
  128   HG13  VAL  18          HG13      VAL  18  -1.149  -0.667  -0.754
  129   HG21  VAL  18          HG21      VAL  18  -2.439   2.724  -2.986
  130   HG22  VAL  18          HG22      VAL  18  -2.519   1.064  -3.641
  131   HG23  VAL  18          HG23      VAL  18  -3.685   1.586  -2.411
  132    H    PHE  19           H        PHE  19  -2.823   0.502   1.569
  133    HA   PHE  19           HA       PHE  19  -0.302   0.563   3.089
  134    HB2  PHE  19           HB2      PHE  19  -2.428   0.877   4.262
  135    HB3  PHE  19           HB3      PHE  19  -3.055  -0.627   3.585
  136    HD1  PHE  19           HD1      PHE  19   0.221   0.188   5.258
  137    HD2  PHE  19           HD2      PHE  19  -3.386  -2.142   5.292
  138    HE1  PHE  19           HE1      PHE  19   1.038  -1.037   7.245
  139    HE2  PHE  19           HE2      PHE  19  -2.564  -3.381   7.285
  140    HZ   PHE  19           HZ       PHE  19  -0.345  -2.836   8.254
  141    H    ILE  20           H        ILE  20   1.115  -1.108   3.215
  142    HA   ILE  20           HA       ILE  20   0.404  -3.658   1.834
  143    HB   ILE  20           HB       ILE  20   3.063  -2.186   1.892
  144   HG12  ILE  20          HG12      ILE  20   1.398  -2.869  -0.552
  145   HG13  ILE  20          HG11      ILE  20   1.200  -1.345   0.331
  146   HG21  ILE  20          HG21      ILE  20   3.867  -4.017   0.390
  147   HG22  ILE  20          HG22      ILE  20   3.400  -4.647   1.970
  148   HG23  ILE  20          HG23      ILE  20   2.308  -4.847   0.586
  149   HD11  ILE  20          HD11      ILE  20   3.790  -2.349  -0.919
  150   HD12  ILE  20          HD12      ILE  20   2.742  -1.063  -1.548
  151   HD13  ILE  20          HD13      ILE  20   3.599  -0.833  -0.003
  152    H    GLY  21           H        GLY  21  -0.308  -4.484   3.836
  153    HA2  GLY  21           HA2      GLY  21   1.577  -4.639   6.082
  154    HA3  GLY  21           HA3      GLY  21  -0.063  -5.302   6.015
  155    H    ASN  22           H        ASN  22   1.715  -6.919   7.132
  156    HA   ASN  22           HA       ASN  22   2.837  -8.870   7.046
  157    HB2  ASN  22           HB2      ASN  22   0.472  -9.511   6.439
  158    HB3  ASN  22           HB3      ASN  22   0.957  -9.482   4.743
  159   HD21  ASN  22          HD21      ASN  22   0.263 -11.755   4.776
  160   HD22  ASN  22          HD22      ASN  22   1.422 -12.980   5.273
  161    H    LEU  23           H        LEU  23   4.362  -6.969   5.859
  162    HA   LEU  23           HA       LEU  23   5.342  -8.090   3.301
  163    HB2  LEU  23           HB2      LEU  23   4.832  -5.674   3.483
  164    HB3  LEU  23           HB3      LEU  23   6.007  -5.525   4.790
  165    HG   LEU  23           HG       LEU  23   7.826  -6.174   3.245
  166   HD11  LEU  23          HD11      LEU  23   6.615  -7.578   1.648
  167   HD12  LEU  23          HD12      LEU  23   5.632  -6.177   1.132
  168   HD13  LEU  23          HD13      LEU  23   7.375  -6.219   0.803
  169   HD21  LEU  23          HD21      LEU  23   7.143  -3.803   3.568
  170   HD22  LEU  23          HD22      LEU  23   7.813  -4.100   1.947
  171   HD23  LEU  23          HD23      LEU  23   6.053  -3.948   2.172
  172    H    ASN  24           H        ASN  24   7.477  -8.893   3.052
  173    HA   ASN  24           HA       ASN  24   8.556 -10.113   5.417
  174    HB2  ASN  24           HB2      ASN  24   8.698 -11.003   3.027
  175    HB3  ASN  24           HB3      ASN  24   9.909  -9.766   2.714
  176   HD21  ASN  24          HD21      ASN  24  11.776 -10.950   2.512
  177   HD22  ASN  24          HD22      ASN  24  12.391 -12.021   3.754
  178    H    THR  25           H        THR  25   9.451  -7.311   3.472
  179    HA   THR  25           HA       THR  25  10.859  -5.605   3.664
  180    HB   THR  25           HB       THR  25  11.072  -4.503   5.768
  181    HG1  THR  25           HG1      THR  25  10.305  -7.006   6.824
  182   HG21  THR  25          HG21      THR  25   8.690  -4.445   6.453
  183   HG22  THR  25          HG22      THR  25   8.887  -4.425   4.686
  184   HG23  THR  25          HG23      THR  25   8.389  -5.922   5.519
  185    H    LEU  26           H        LEU  26  12.026  -8.612   4.583
  186    HA   LEU  26           HA       LEU  26  14.726  -7.658   5.258
  187    HB2  LEU  26           HB2      LEU  26  13.216 -10.232   5.245
  188    HB3  LEU  26           HB3      LEU  26  14.950 -10.346   4.932
  189    HG   LEU  26           HG       LEU  26  14.419 -10.661   7.308
  190   HD11  LEU  26          HD11      LEU  26  15.956  -8.078   6.807
  191   HD12  LEU  26          HD12      LEU  26  16.102  -9.156   8.208
  192   HD13  LEU  26          HD13      LEU  26  16.612  -9.720   6.604
  193   HD21  LEU  26          HD21      LEU  26  12.470  -9.174   7.504
  194   HD22  LEU  26          HD22      LEU  26  13.712  -8.769   8.705
  195   HD23  LEU  26          HD23      LEU  26  13.516  -7.754   7.256
  196    H    VAL  27           H        VAL  27  12.922  -8.429   2.417
  197    HA   VAL  27           HA       VAL  27  15.468  -8.483   0.850
  198    HB   VAL  27           HB       VAL  27  12.929 -10.060   0.293
  199   HG11  VAL  27          HG11      VAL  27  14.037  -9.428  -1.801
  200   HG12  VAL  27          HG12      VAL  27  15.612  -9.970  -1.152
  201   HG13  VAL  27          HG13      VAL  27  14.317 -11.144  -1.467
  202   HG21  VAL  27          HG21      VAL  27  14.244 -11.014   2.170
  203   HG22  VAL  27          HG22      VAL  27  14.374 -12.030   0.726
  204   HG23  VAL  27          HG23      VAL  27  15.715 -10.953   1.175
  205    H    VAL  28           H        VAL  28  12.322  -7.097   1.373
  206    HA   VAL  28           HA       VAL  28  12.589  -5.570  -1.176
  207    HB   VAL  28           HB       VAL  28  10.128  -6.064   0.538
  208   HG11  VAL  28          HG11      VAL  28  10.038  -3.855  -0.564
  209   HG12  VAL  28          HG12      VAL  28  10.462  -4.610  -2.121
  210   HG13  VAL  28          HG13      VAL  28   8.915  -4.985  -1.331
  211   HG21  VAL  28          HG21      VAL  28  10.802  -8.062  -0.720
  212   HG22  VAL  28          HG22      VAL  28   9.390  -7.321  -1.501
  213   HG23  VAL  28          HG23      VAL  28  11.007  -7.088  -2.198
  214    H    LYS  29           H        LYS  29  12.676  -3.391  -1.169
  215    HA   LYS  29           HA       LYS  29  12.599  -1.906   1.421
  216    HB2  LYS  29           HB2      LYS  29  14.816  -1.927  -0.671
  217    HB3  LYS  29           HB3      LYS  29  14.556  -0.593   0.455
  218    HG2  LYS  29           HG2      LYS  29  16.161  -1.797   1.555
  219    HG3  LYS  29           HG3      LYS  29  14.677  -2.368   2.332
  220    HD2  LYS  29           HD2      LYS  29  14.741  -4.408   0.880
  221    HD3  LYS  29           HD3      LYS  29  16.211  -3.790   0.110
  222    HE2  LYS  29           HE2      LYS  29  16.769  -5.434   1.835
  223    HE3  LYS  29           HE3      LYS  29  17.375  -3.836   2.292
  224    HZ1  LYS  29           HZ1      LYS  29  16.289  -4.961   4.123
  225    HZ2  LYS  29           HZ2      LYS  29  15.480  -3.587   3.732
  226    HZ3  LYS  29           HZ3      LYS  29  14.876  -5.044   3.284
  227    H    LYS  30           H        LYS  30  12.684   0.483   0.936
  228    HA   LYS  30           HA       LYS  30  10.377   1.195  -0.552
  229    HB2  LYS  30           HB2      LYS  30  11.080   3.499   0.011
  230    HB3  LYS  30           HB3      LYS  30  11.106   2.383   1.390
  231    HG2  LYS  30           HG2      LYS  30  13.666   2.067   0.667
  232    HG3  LYS  30           HG3      LYS  30  13.418   3.665  -0.060
  233    HD2  LYS  30           HD2      LYS  30  12.789   2.856   2.804
  234    HD3  LYS  30           HD3      LYS  30  14.239   3.736   2.316
  235    HE2  LYS  30           HE2      LYS  30  11.380   4.746   1.961
  236    HE3  LYS  30           HE3      LYS  30  12.504   5.265   3.229
  237    HZ1  LYS  30           HZ1      LYS  30  12.478   6.789   1.367
  238    HZ2  LYS  30           HZ2      LYS  30  13.962   6.097   1.513
  239    HZ3  LYS  30           HZ3      LYS  30  12.934   5.601   0.333
  240    H    SER  31           H        SER  31  13.536   0.537  -1.694
  241    HA   SER  31           HA       SER  31  13.309   2.301  -4.053
  242    HB2  SER  31           HB2      SER  31  15.545   1.308  -4.571
  243    HB3  SER  31           HB3      SER  31  15.479   2.121  -2.983
  244    HG   SER  31           HG       SER  31  16.487   0.061  -2.891
  245    H    ASP  32           H        ASP  32  12.474  -0.859  -3.014
  246    HA   ASP  32           HA       ASP  32  12.345  -1.975  -5.756
  247    HB2  ASP  32           HB2      ASP  32  11.983  -3.096  -2.948
  248    HB3  ASP  32           HB3      ASP  32  11.667  -4.032  -4.403
  249    H    VAL  33           H        VAL  33  10.306  -0.944  -2.998
  250    HA   VAL  33           HA       VAL  33   7.825  -1.906  -4.013
  251    HB   VAL  33           HB       VAL  33   8.550   0.421  -2.190
  252   HG11  VAL  33          HG11      VAL  33   6.193   0.336  -1.446
  253   HG12  VAL  33          HG12      VAL  33   6.305   0.780  -3.167
  254   HG13  VAL  33          HG13      VAL  33   5.837  -0.869  -2.701
  255   HG21  VAL  33          HG21      VAL  33   7.512  -2.400  -1.659
  256   HG22  VAL  33          HG22      VAL  33   9.158  -1.818  -1.331
  257   HG23  VAL  33          HG23      VAL  33   7.781  -1.151  -0.426
  258    H    GLU  34           H        GLU  34   9.746   1.009  -4.705
  259    HA   GLU  34           HA       GLU  34   7.596   2.210  -6.256
  260    HB2  GLU  34           HB2      GLU  34   9.172   3.978  -6.748
  261    HB3  GLU  34           HB3      GLU  34   9.146   3.618  -5.008
  262    HG2  GLU  34           HG2      GLU  34  11.207   2.286  -5.249
  263    HG3  GLU  34           HG3      GLU  34  11.225   2.593  -6.989
  264    H    ALA  35           H        ALA  35   9.248  -0.475  -6.911
  265    HA   ALA  35           HA       ALA  35   9.247   0.093  -9.836
  266    HB1  ALA  35           HB1      ALA  35  11.555  -0.136  -8.991
  267    HB2  ALA  35           HB2      ALA  35  11.147  -1.723  -8.295
  268    HB3  ALA  35           HB3      ALA  35  11.110  -1.489 -10.055
  269    H    ILE  36           H        ILE  36   7.872  -1.638  -7.265
  270    HA   ILE  36           HA       ILE  36   6.966  -3.835  -9.072
  271    HB   ILE  36           HB       ILE  36   7.043  -3.577  -6.044
  272   HG12  ILE  36          HG12      ILE  36   8.554  -5.528  -7.825
  273   HG13  ILE  36          HG11      ILE  36   9.222  -3.960  -7.359
  274   HG21  ILE  36          HG21      ILE  36   6.118  -5.898  -7.801
  275   HG22  ILE  36          HG22      ILE  36   6.306  -5.960  -6.032
  276   HG23  ILE  36          HG23      ILE  36   5.088  -4.904  -6.747
  277   HD11  ILE  36          HD11      ILE  36   8.376  -6.178  -5.448
  278   HD12  ILE  36          HD12      ILE  36  10.034  -5.660  -5.810
  279   HD13  ILE  36          HD13      ILE  36   8.936  -4.565  -4.947
  280    H    PHE  37           H        PHE  37   5.946  -1.055  -7.140
  281    HA   PHE  37           HA       PHE  37   3.100  -1.723  -7.688
  282    HB2  PHE  37           HB2      PHE  37   4.471   0.123  -5.711
  283    HB3  PHE  37           HB3      PHE  37   2.737   0.150  -6.013
  284    HD1  PHE  37           HD1      PHE  37   5.519  -2.004  -4.797
  285    HD2  PHE  37           HD2      PHE  37   1.262  -1.433  -5.040
  286    HE1  PHE  37           HE1      PHE  37   5.175  -3.872  -3.199
  287    HE2  PHE  37           HE2      PHE  37   0.920  -3.288  -3.434
  288    HZ   PHE  37           HZ       PHE  37   2.875  -4.508  -2.511
  289    H    SER  38           H        SER  38   5.665   0.057  -8.990
  290    HA   SER  38           HA       SER  38   4.208   2.447  -9.726
  291    HB2  SER  38           HB2      SER  38   6.663   2.336  -9.453
  292    HB3  SER  38           HB3      SER  38   6.763   1.263 -10.872
  293    HG   SER  38           HG       SER  38   7.122   3.472 -11.386
  294    H    LYS  39           H        LYS  39   4.173  -0.791 -10.868
  295    HA   LYS  39           HA       LYS  39   3.544  -0.162 -13.640
  296    HB2  LYS  39           HB2      LYS  39   3.314  -2.568 -13.864
  297    HB3  LYS  39           HB3      LYS  39   4.780  -2.167 -12.936
  298    HG2  LYS  39           HG2      LYS  39   3.317  -2.450 -10.828
  299    HG3  LYS  39           HG3      LYS  39   2.131  -3.229 -11.888
  300    HD2  LYS  39           HD2      LYS  39   5.041  -4.040 -11.540
  301    HD3  LYS  39           HD3      LYS  39   3.665  -4.854 -10.774
  302    HE2  LYS  39           HE2      LYS  39   4.136  -4.625 -13.775
  303    HE3  LYS  39           HE3      LYS  39   4.464  -6.060 -12.799
  304    HZ1  LYS  39           HZ1      LYS  39   1.814  -4.836 -13.184
  305    HZ2  LYS  39           HZ2      LYS  39   2.347  -6.237 -13.867
  306    HZ3  LYS  39           HZ3      LYS  39   2.124  -6.147 -12.244
  307    H    TYR  40           H        TYR  40   1.768  -0.109 -10.707
  308    HA   TYR  40           HA       TYR  40  -0.794  -0.539 -12.172
  309    HB2  TYR  40           HB2      TYR  40  -0.256  -0.451  -9.186
  310    HB3  TYR  40           HB3      TYR  40  -1.790  -0.839  -9.961
  311    HD1  TYR  40           HD1      TYR  40  -1.812  -2.883 -11.589
  312    HD2  TYR  40           HD2      TYR  40   1.268  -2.139  -8.686
  313    HE1  TYR  40           HE1      TYR  40  -1.095  -5.257 -11.746
  314    HE2  TYR  40           HE2      TYR  40   2.003  -4.502  -8.844
  315    HH   TYR  40           HH       TYR  40   1.575  -6.565  -9.748
  316    H    GLY  41           H        GLY  41   1.237   1.892 -10.780
  317    HA2  GLY  41           HA2      GLY  41  -0.396   3.957 -11.876
  318    HA3  GLY  41           HA3      GLY  41  -0.642   3.892 -10.122
  319    H    LYS  42           H        LYS  42   0.450   6.117 -11.470
  320    HA   LYS  42           HA       LYS  42   3.332   6.154 -11.256
  321    HB2  LYS  42           HB2      LYS  42   2.222   7.676 -12.753
  322    HB3  LYS  42           HB3      LYS  42   1.161   8.271 -11.462
  323    HG2  LYS  42           HG2      LYS  42   3.049   9.289 -10.303
  324    HG3  LYS  42           HG3      LYS  42   4.185   8.642 -11.514
  325    HD2  LYS  42           HD2      LYS  42   3.232  10.002 -13.255
  326    HD3  LYS  42           HD3      LYS  42   1.848  10.458 -12.234
  327    HE2  LYS  42           HE2      LYS  42   3.323  11.632 -10.684
  328    HE3  LYS  42           HE3      LYS  42   4.744  11.149 -11.627
  329    HZ1  LYS  42           HZ1      LYS  42   2.549  12.857 -12.598
  330    HZ2  LYS  42           HZ2      LYS  42   4.052  13.378 -12.161
  331    HZ3  LYS  42           HZ3      LYS  42   3.864  12.412 -13.476
  332    H    ILE  43           H        ILE  43   4.414   6.007  -9.405
  333    HA   ILE  43           HA       ILE  43   3.080   6.592  -6.870
  334    HB   ILE  43           HB       ILE  43   5.843   5.530  -7.559
  335   HG12  ILE  43          HG12      ILE  43   3.317   4.221  -6.450
  336   HG13  ILE  43          HG11      ILE  43   3.894   4.072  -8.118
  337   HG21  ILE  43          HG21      ILE  43   4.469   5.689  -4.845
  338   HG22  ILE  43          HG22      ILE  43   6.066   4.985  -5.180
  339   HG23  ILE  43          HG23      ILE  43   5.818   6.728  -5.360
  340   HD11  ILE  43          HD11      ILE  43   4.498   2.091  -6.836
  341   HD12  ILE  43          HD12      ILE  43   5.961   2.987  -7.315
  342   HD13  ILE  43          HD13      ILE  43   5.360   3.073  -5.640
  343    H    VAL  44           H        VAL  44   3.245   8.405  -5.722
  344    HA   VAL  44           HA       VAL  44   5.227  10.445  -6.608
  345    HB   VAL  44           HB       VAL  44   3.691  12.106  -5.645
  346   HG11  VAL  44          HG11      VAL  44   1.927  11.923  -7.342
  347   HG12  VAL  44          HG12      VAL  44   3.504  11.478  -8.027
  348   HG13  VAL  44          HG13      VAL  44   2.327  10.212  -7.607
  349   HG21  VAL  44          HG21      VAL  44   2.619  10.684  -3.914
  350   HG22  VAL  44          HG22      VAL  44   1.412  11.455  -4.961
  351   HG23  VAL  44          HG23      VAL  44   1.812   9.743  -5.191
  352    H    GLY  45           H        GLY  45   4.569   8.208  -4.179
  353    HA2  GLY  45           HA2      GLY  45   6.739   9.164  -2.541
  354    HA3  GLY  45           HA3      GLY  45   5.169   9.382  -1.744
  355    H    CYS  46           H        CYS  46   7.453   7.533  -1.107
  356    HA   CYS  46           HA       CYS  46   5.832   5.110  -0.793
  357    HB2  CYS  46           HB2      CYS  46   7.484   3.642  -1.771
  358    HB3  CYS  46           HB3      CYS  46   7.046   4.875  -2.983
  359    HG   CYS  46           HG       CYS  46   9.619   4.299  -3.086
  360    H    SER  47           H        SER  47   6.547   3.795   0.942
  361    HA   SER  47           HA       SER  47   9.048   4.444   2.295
  362    HB2  SER  47           HB2      SER  47   8.012   5.007   4.446
  363    HB3  SER  47           HB3      SER  47   7.517   6.165   3.192
  364    HG   SER  47           HG       SER  47   5.643   5.621   4.089
  365    H    VAL  48           H        VAL  48   9.793   2.747   3.493
  366    HA   VAL  48           HA       VAL  48   7.926   0.449   3.887
  367    HB   VAL  48           HB       VAL  48  10.892   0.387   3.240
  368   HG11  VAL  48          HG11      VAL  48   8.941  -1.871   3.876
  369   HG12  VAL  48          HG12      VAL  48  10.580  -2.086   3.221
  370   HG13  VAL  48          HG13      VAL  48  10.358  -1.397   4.843
  371   HG21  VAL  48          HG21      VAL  48   9.423   0.797   1.296
  372   HG22  VAL  48          HG22      VAL  48  10.080  -0.858   1.239
  373   HG23  VAL  48          HG23      VAL  48   8.403  -0.580   1.760
  374    H    HIS  49           H        HIS  49   8.065  -0.657   5.807
  375    HA   HIS  49           HA       HIS  49   9.620   0.585   8.017
  376    HB2  HIS  49           HB2      HIS  49   6.671  -0.141   8.086
  377    HB3  HIS  49           HB3      HIS  49   7.602   0.615   9.382
  378    HD2  HIS  49           HD2      HIS  49   6.137   1.393   5.868
  379    HE1  HIS  49           HE1      HIS  49   6.930   5.129   7.733
  380    HE2  HIS  49           HE2      HIS  49   5.929   3.999   5.683
  381    H    LYS  50           H        LYS  50   8.717  -1.054  10.077
  382    HA   LYS  50           HA       LYS  50   9.759  -3.651   9.181
  383    HB2  LYS  50           HB2      LYS  50   8.925  -2.629  11.924
  384    HB3  LYS  50           HB3      LYS  50   9.640  -4.221  11.595
  385    HG2  LYS  50           HG2      LYS  50  11.632  -3.096  10.590
  386    HG3  LYS  50           HG3      LYS  50  10.960  -1.523  11.053
  387    HD2  LYS  50           HD2      LYS  50  11.651  -3.800  12.952
  388    HD3  LYS  50           HD3      LYS  50  12.642  -2.357  12.688
  389    HE2  LYS  50           HE2      LYS  50   9.786  -2.363  13.768
  390    HE3  LYS  50           HE3      LYS  50  11.249  -2.233  14.754
  391    HZ1  LYS  50           HZ1      LYS  50  10.322  -0.085  14.315
  392    HZ2  LYS  50           HZ2      LYS  50  11.787  -0.205  13.579
  393    HZ3  LYS  50           HZ3      LYS  50  10.409  -0.310  12.688
  394    H    GLY  51           H        GLY  51   8.499  -5.129   8.341
  395    HA2  GLY  51           HA2      GLY  51   6.801  -6.694   8.260
  396    HA3  GLY  51           HA3      GLY  51   6.035  -5.928   9.658
  397    H    PHE  52           H        PHE  52   6.381  -3.309   7.710
  398    HA   PHE  52           HA       PHE  52   4.229  -3.946   5.814
  399    HB2  PHE  52           HB2      PHE  52   2.765  -2.185   6.555
  400    HB3  PHE  52           HB3      PHE  52   2.977  -3.355   7.848
  401    HD1  PHE  52           HD1      PHE  52   4.330  -2.808   9.852
  402    HD2  PHE  52           HD2      PHE  52   3.498   0.098   6.794
  403    HE1  PHE  52           HE1      PHE  52   4.985  -0.987  11.404
  404    HE2  PHE  52           HE2      PHE  52   4.157   1.918   8.342
  405    HZ   PHE  52           HZ       PHE  52   4.907   1.375  10.649
  406    H    ALA  53           H        ALA  53   3.698  -2.014   4.446
  407    HA   ALA  53           HA       ALA  53   5.732   0.110   4.319
  408    HB1  ALA  53           HB1      ALA  53   5.174  -1.823   2.032
  409    HB2  ALA  53           HB2      ALA  53   6.100  -0.315   1.896
  410    HB3  ALA  53           HB3      ALA  53   6.699  -1.626   2.937
  411    H    PHE  54           H        PHE  54   5.097   1.677   2.496
  412    HA   PHE  54           HA       PHE  54   2.175   1.772   2.010
  413    HB2  PHE  54           HB2      PHE  54   3.844   3.737   3.561
  414    HB3  PHE  54           HB3      PHE  54   2.543   4.343   2.545
  415    HD1  PHE  54           HD1      PHE  54   0.209   3.406   2.839
  416    HD2  PHE  54           HD2      PHE  54   3.329   2.901   5.756
  417    HE1  PHE  54           HE1      PHE  54  -1.496   2.988   4.593
  418    HE2  PHE  54           HE2      PHE  54   1.629   2.451   7.495
  419    HZ   PHE  54           HZ       PHE  54  -0.782   2.509   6.920
  420    H    VAL  55           H        VAL  55   1.577   2.862   0.172
  421    HA   VAL  55           HA       VAL  55   3.710   4.063  -1.518
  422    HB   VAL  55           HB       VAL  55   1.668   1.985  -2.406
  423   HG11  VAL  55          HG11      VAL  55   3.675   3.634  -4.000
  424   HG12  VAL  55          HG12      VAL  55   2.743   2.264  -4.642
  425   HG13  VAL  55          HG13      VAL  55   1.902   3.737  -4.126
  426   HG21  VAL  55          HG21      VAL  55   3.697   1.059  -1.319
  427   HG22  VAL  55          HG22      VAL  55   3.710   0.729  -3.064
  428   HG23  VAL  55          HG23      VAL  55   4.713   2.040  -2.397
  429    H    GLN  56           H        GLN  56   3.066   5.853  -2.632
  430    HA   GLN  56           HA       GLN  56   0.257   6.719  -2.176
  431    HB2  GLN  56           HB2      GLN  56   2.066   7.872  -0.825
  432    HB3  GLN  56           HB3      GLN  56   2.814   8.374  -2.340
  433    HG2  GLN  56           HG2      GLN  56   1.551  10.239  -1.571
  434    HG3  GLN  56           HG3      GLN  56   0.630   9.555  -2.915
  435   HE21  GLN  56          HE21      GLN  56  -1.525   9.300  -2.544
  436   HE22  GLN  56          HE22      GLN  56  -2.246   9.127  -0.961
  437    H    TYR  57           H        TYR  57  -0.892   7.238  -3.968
  438    HA   TYR  57           HA       TYR  57   0.564   7.377  -6.564
  439    HB2  TYR  57           HB2      TYR  57  -2.270   6.496  -5.911
  440    HB3  TYR  57           HB3      TYR  57  -1.602   6.679  -7.533
  441    HD1  TYR  57           HD1      TYR  57   0.846   5.477  -7.749
  442    HD2  TYR  57           HD2      TYR  57  -2.416   4.250  -5.216
  443    HE1  TYR  57           HE1      TYR  57   1.757   3.162  -7.690
  444    HE2  TYR  57           HE2      TYR  57  -1.491   1.962  -5.140
  445    HH   TYR  57           HH       TYR  57   0.183   0.575  -5.786
  446    H    VAL  58           H        VAL  58  -0.930   8.536  -8.256
  447    HA   VAL  58           HA       VAL  58  -1.193  11.285  -7.395
  448    HB   VAL  58           HB       VAL  58  -1.849   9.815  -9.977
  449   HG11  VAL  58          HG11      VAL  58  -1.856  12.803  -9.386
  450   HG12  VAL  58          HG12      VAL  58  -1.955  12.073 -11.007
  451   HG13  VAL  58          HG13      VAL  58  -3.265  11.809  -9.841
  452   HG21  VAL  58          HG21      VAL  58   0.545   9.929  -9.390
  453   HG22  VAL  58          HG22      VAL  58   0.179  10.966 -10.783
  454   HG23  VAL  58          HG23      VAL  58   0.410  11.694  -9.182
  455    H    ASN  59           H        ASN  59  -3.444   8.545  -7.838
  456    HA   ASN  59           HA       ASN  59  -5.445  10.087  -6.401
  457    HB2  ASN  59           HB2      ASN  59  -7.073  10.301  -7.992
  458    HB3  ASN  59           HB3      ASN  59  -5.613  10.648  -8.952
  459   HD21  ASN  59          HD21      ASN  59  -4.642   8.336  -9.832
  460   HD22  ASN  59          HD22      ASN  59  -5.854   7.402 -10.671
  461    H    GLU  60           H        GLU  60  -7.538   8.775  -6.172
  462    HA   GLU  60           HA       GLU  60  -6.908   6.353  -4.858
  463    HB2  GLU  60           HB2      GLU  60  -8.797   7.802  -4.303
  464    HB3  GLU  60           HB3      GLU  60  -9.540   7.470  -5.879
  465    HG2  GLU  60           HG2      GLU  60  -9.744   5.082  -5.282
  466    HG3  GLU  60           HG3      GLU  60  -8.961   5.389  -3.724
  467    H    ARG  61           H        ARG  61  -7.943   6.921  -8.247
  468    HA   ARG  61           HA       ARG  61  -8.801   4.278  -8.811
  469    HB2  ARG  61           HB2      ARG  61  -9.190   6.042 -10.400
  470    HB3  ARG  61           HB3      ARG  61  -7.464   6.426 -10.493
  471    HG2  ARG  61           HG2      ARG  61  -8.291   5.217 -12.495
  472    HG3  ARG  61           HG3      ARG  61  -6.964   4.391 -11.662
  473    HD2  ARG  61           HD2      ARG  61  -8.526   2.860 -10.601
  474    HD3  ARG  61           HD3      ARG  61  -9.908   3.734 -11.294
  475    HE   ARG  61           HE       ARG  61  -8.557   3.068 -13.539
  476   HH11  ARG  61          HH11      ARG  61  -9.378   1.123 -10.703
  477   HH12  ARG  61          HH12      ARG  61  -9.456  -0.372 -11.610
  478   HH21  ARG  61          HH21      ARG  61  -8.667   1.118 -14.685
  479   HH22  ARG  61          HH22      ARG  61  -9.051  -0.375 -13.860
  480    H    ASN  62           H        ASN  62  -5.522   5.723  -8.729
  481    HA   ASN  62           HA       ASN  62  -4.260   3.341  -9.768
  482    HB2  ASN  62           HB2      ASN  62  -3.329   5.832  -8.316
  483    HB3  ASN  62           HB3      ASN  62  -2.204   4.521  -8.769
  484   HD21  ASN  62          HD21      ASN  62  -2.849   3.722 -11.208
  485   HD22  ASN  62          HD22      ASN  62  -2.862   5.038 -12.367
  486    H    ALA  63           H        ALA  63  -5.347   4.349  -6.581
  487    HA   ALA  63           HA       ALA  63  -3.719   2.422  -5.139
  488    HB1  ALA  63           HB1      ALA  63  -6.261   3.899  -4.338
  489    HB2  ALA  63           HB2      ALA  63  -5.195   2.996  -3.245
  490    HB3  ALA  63           HB3      ALA  63  -4.597   4.460  -4.058
  491    H    ARG  64           H        ARG  64  -7.016   2.479  -6.505
  492    HA   ARG  64           HA       ARG  64  -7.799  -0.068  -5.382
  493    HB2  ARG  64           HB2      ARG  64  -8.791   1.367  -7.881
  494    HB3  ARG  64           HB3      ARG  64  -9.608   0.024  -7.076
  495    HG2  ARG  64           HG2      ARG  64  -9.093   2.763  -5.849
  496    HG3  ARG  64           HG3      ARG  64 -10.628   2.200  -6.525
  497    HD2  ARG  64           HD2      ARG  64 -10.705   0.397  -4.831
  498    HD3  ARG  64           HD3      ARG  64  -9.188   1.002  -4.127
  499    HE   ARG  64           HE       ARG  64 -10.957   3.188  -4.262
  500   HH11  ARG  64          HH11      ARG  64 -10.816   0.069  -2.576
  501   HH12  ARG  64          HH12      ARG  64 -11.710   0.678  -1.197
  502   HH21  ARG  64          HH21      ARG  64 -12.121   3.897  -2.491
  503   HH22  ARG  64          HH22      ARG  64 -12.472   2.817  -1.157
  504    H    ALA  65           H        ALA  65  -5.881   0.873  -8.191
  505    HA   ALA  65           HA       ALA  65  -6.172  -1.703  -9.519
  506    HB1  ALA  65           HB1      ALA  65  -5.809   0.426 -10.728
  507    HB2  ALA  65           HB2      ALA  65  -4.224   0.599  -9.941
  508    HB3  ALA  65           HB3      ALA  65  -4.516  -0.756 -11.058
  509    H    ALA  66           H        ALA  66  -3.855  -0.194  -7.235
  510    HA   ALA  66           HA       ALA  66  -1.967  -2.402  -7.549
  511    HB1  ALA  66           HB1      ALA  66  -0.731  -1.183  -5.816
  512    HB2  ALA  66           HB2      ALA  66  -1.249  -0.098  -7.133
  513    HB3  ALA  66           HB3      ALA  66  -2.120  -0.092  -5.583
  514    H    VAL  67           H        VAL  67  -4.515  -1.411  -5.236
  515    HA   VAL  67           HA       VAL  67  -3.977  -3.441  -3.283
  516    HB   VAL  67           HB       VAL  67  -6.464  -1.886  -4.078
  517   HG11  VAL  67          HG11      VAL  67  -6.085  -3.783  -1.722
  518   HG12  VAL  67          HG12      VAL  67  -7.428  -2.628  -1.901
  519   HG13  VAL  67          HG13      VAL  67  -7.250  -3.965  -3.050
  520   HG21  VAL  67          HG21      VAL  67  -4.525  -0.662  -3.002
  521   HG22  VAL  67          HG22      VAL  67  -6.010  -0.637  -2.032
  522   HG23  VAL  67          HG23      VAL  67  -4.681  -1.741  -1.604
  523    H    ALA  68           H        ALA  68  -5.766  -3.433  -6.375
  524    HA   ALA  68           HA       ALA  68  -6.641  -6.208  -5.862
  525    HB1  ALA  68           HB1      ALA  68  -7.151  -4.333  -8.202
  526    HB2  ALA  68           HB2      ALA  68  -7.911  -5.921  -7.951
  527    HB3  ALA  68           HB3      ALA  68  -8.236  -4.592  -6.814
  528    H    GLY  69           H        GLY  69  -3.896  -4.656  -7.183
  529    HA2  GLY  69           HA2      GLY  69  -3.409  -6.824  -9.146
  530    HA3  GLY  69           HA3      GLY  69  -2.568  -5.273  -9.034
  531    H    GLU  70           H        GLU  70  -2.521  -6.001  -5.891
  532    HA   GLU  70           HA       GLU  70  -0.076  -7.736  -6.090
  533    HB2  GLU  70           HB2      GLU  70  -0.393  -5.024  -4.777
  534    HB3  GLU  70           HB3      GLU  70   0.929  -6.143  -4.400
  535    HG2  GLU  70           HG2      GLU  70   0.335  -5.216  -7.227
  536    HG3  GLU  70           HG3      GLU  70   1.439  -4.365  -6.145
  537    H    ASP  71           H        ASP  71  -2.990  -6.826  -4.288
  538    HA   ASP  71           HA       ASP  71  -2.207  -7.924  -1.780
  539    HB2  ASP  71           HB2      ASP  71  -4.222  -6.568  -2.052
  540    HB3  ASP  71           HB3      ASP  71  -4.924  -7.793  -3.127
  541    H    GLY  72           H        GLY  72  -1.535  -9.946  -1.338
  542    HA2  GLY  72           HA2      GLY  72  -1.780 -12.261  -1.167
  543    HA3  GLY  72           HA3      GLY  72  -3.041 -12.221  -2.423
  544    H    ARG  73           H        ARG  73  -0.331 -10.370  -3.353
  545    HA   ARG  73           HA       ARG  73   0.659 -12.398  -5.194
  546    HB2  ARG  73           HB2      ARG  73   2.063 -10.719  -6.033
  547    HB3  ARG  73           HB3      ARG  73   0.561  -9.892  -5.620
  548    HG2  ARG  73           HG2      ARG  73   1.894  -8.431  -4.483
  549    HG3  ARG  73           HG3      ARG  73   2.003  -9.703  -3.251
  550    HD2  ARG  73           HD2      ARG  73   4.233  -8.962  -3.837
  551    HD3  ARG  73           HD3      ARG  73   4.034 -10.590  -4.523
  552    HE   ARG  73           HE       ARG  73   3.485  -8.165  -6.158
  553   HH11  ARG  73          HH11      ARG  73   5.481 -11.078  -5.687
  554   HH12  ARG  73          HH12      ARG  73   6.191 -10.946  -7.271
  555   HH21  ARG  73          HH21      ARG  73   4.422  -8.058  -8.176
  556   HH22  ARG  73          HH22      ARG  73   5.614  -9.237  -8.678
  557    H    MET  74           H        MET  74   3.202 -12.787  -5.076
  558    HA   MET  74           HA       MET  74   3.791 -13.372  -2.203
  559    HB2  MET  74           HB2      MET  74   3.222 -15.334  -3.615
  560    HB3  MET  74           HB3      MET  74   4.633 -14.985  -4.637
  561    HG2  MET  74           HG2      MET  74   6.154 -15.398  -2.862
  562    HG3  MET  74           HG3      MET  74   4.895 -15.241  -1.630
  563    HE1  MET  74           HE1      MET  74   2.893 -18.481  -1.748
  564    HE2  MET  74           HE2      MET  74   3.279 -16.984  -0.863
  565    HE3  MET  74           HE3      MET  74   2.511 -16.899  -2.464
  566    H    ILE  75           H        ILE  75   5.422 -12.280  -1.403
  567    HA   ILE  75           HA       ILE  75   7.643 -11.526  -3.231
  568    HB   ILE  75           HB       ILE  75   5.786  -9.803  -1.820
  569   HG12  ILE  75          HG12      ILE  75   8.154  -9.310  -3.669
  570   HG13  ILE  75          HG11      ILE  75   6.494  -9.701  -4.166
  571   HG21  ILE  75          HG21      ILE  75   8.723  -9.384  -1.146
  572   HG22  ILE  75          HG22      ILE  75   7.388  -8.242  -0.817
  573   HG23  ILE  75          HG23      ILE  75   7.429  -9.800   0.004
  574   HD11  ILE  75          HD11      ILE  75   6.924  -7.302  -4.377
  575   HD12  ILE  75          HD12      ILE  75   5.694  -7.588  -3.142
  576   HD13  ILE  75          HD13      ILE  75   7.364  -7.190  -2.662
  577    H    ALA  76           H        ALA  76   9.655 -11.825  -2.491
  578    HA   ALA  76           HA       ALA  76  11.256 -12.910  -1.337
  579    HB1  ALA  76           HB1      ALA  76   9.847 -11.862   1.128
  580    HB2  ALA  76           HB2      ALA  76  11.563 -12.310   0.961
  581    HB3  ALA  76           HB3      ALA  76  10.927 -10.891   0.090
  582    H    GLY  77           H        GLY  77   8.524 -14.287  -1.776
  583    HA2  GLY  77           HA2      GLY  77   8.046 -16.560  -1.593
  584    HA3  GLY  77           HA3      GLY  77   9.207 -16.703  -0.259
  585    H    GLN  78           H        GLN  78   7.254 -13.984   0.323
  586    HA   GLN  78           HA       GLN  78   5.298 -15.577   1.912
  587    HB2  GLN  78           HB2      GLN  78   7.024 -14.781   3.375
  588    HB3  GLN  78           HB3      GLN  78   6.998 -13.184   2.640
  589    HG2  GLN  78           HG2      GLN  78   4.331 -13.773   3.596
  590    HG3  GLN  78           HG3      GLN  78   5.499 -14.120   4.887
  591   HE21  GLN  78          HE21      GLN  78   5.164 -11.676   2.242
  592   HE22  GLN  78          HE22      GLN  78   5.421 -10.290   3.282
  593    H    VAL  79           H        VAL  79   3.236 -15.050   1.663
  594    HA   VAL  79           HA       VAL  79   2.327 -13.345  -0.441
  595    HB   VAL  79           HB       VAL  79   0.842 -14.485   1.967
  596   HG11  VAL  79          HG11      VAL  79  -0.124 -13.559  -0.769
  597   HG12  VAL  79          HG12      VAL  79  -1.120 -14.385   0.453
  598   HG13  VAL  79          HG13      VAL  79  -0.473 -12.773   0.797
  599   HG21  VAL  79          HG21      VAL  79   1.980 -16.264   0.700
  600   HG22  VAL  79          HG22      VAL  79   0.230 -16.319   0.423
  601   HG23  VAL  79          HG23      VAL  79   1.297 -15.631  -0.820
  602    H    LEU  80           H        LEU  80   1.514 -11.299  -0.476
  603    HA   LEU  80           HA       LEU  80   1.924  -9.674   1.978
  604    HB2  LEU  80           HB2      LEU  80   1.269  -8.743  -0.837
  605    HB3  LEU  80           HB3      LEU  80   1.741  -7.749   0.542
  606    HG   LEU  80           HG       LEU  80   3.481  -9.768  -0.933
  607   HD11  LEU  80          HD11      LEU  80   3.569  -6.751  -0.511
  608   HD12  LEU  80          HD12      LEU  80   4.840  -7.699  -1.303
  609   HD13  LEU  80          HD13      LEU  80   3.212  -7.599  -2.036
  610   HD21  LEU  80          HD21      LEU  80   3.974  -9.890   1.482
  611   HD22  LEU  80          HD22      LEU  80   5.279  -9.053   0.619
  612   HD23  LEU  80          HD23      LEU  80   4.084  -8.115   1.553
  613    H    ASP  81           H        ASP  81   0.354  -8.197   2.714
  614    HA   ASP  81           HA       ASP  81  -2.458  -8.826   1.926
  615    HB2  ASP  81           HB2      ASP  81  -1.252  -8.416   4.676
  616    HB3  ASP  81           HB3      ASP  81  -2.980  -8.230   4.347
  617    H    ILE  82           H        ILE  82  -2.902  -7.143   0.632
  618    HA   ILE  82           HA       ILE  82  -1.918  -4.437   1.414
  619    HB   ILE  82           HB       ILE  82  -2.315  -5.756  -1.268
  620   HG12  ILE  82          HG12      ILE  82   0.146  -4.459  -0.052
  621   HG13  ILE  82          HG11      ILE  82  -0.250  -6.151   0.289
  622   HG21  ILE  82          HG21      ILE  82  -1.506  -2.878  -0.665
  623   HG22  ILE  82          HG22      ILE  82  -1.555  -3.638  -2.271
  624   HG23  ILE  82          HG23      ILE  82  -3.057  -3.375  -1.375
  625   HD11  ILE  82          HD11      ILE  82   0.136  -5.026  -2.495
  626   HD12  ILE  82          HD12      ILE  82   1.339  -5.947  -1.570
  627   HD13  ILE  82          HD13      ILE  82  -0.189  -6.729  -2.035
  628    H    ASN  83           H        ASN  83  -3.341  -2.703   1.334
  629    HA   ASN  83           HA       ASN  83  -6.144  -3.122   0.539
  630    HB2  ASN  83           HB2      ASN  83  -5.959  -4.117   2.820
  631    HB3  ASN  83           HB3      ASN  83  -5.331  -2.578   3.420
  632   HD21  ASN  83          HD21      ASN  83  -6.908  -1.691   4.670
  633   HD22  ASN  83          HD22      ASN  83  -8.587  -1.543   4.194
  634    H    LEU  84           H        LEU  84  -7.372  -1.136   0.504
  635    HA   LEU  84           HA       LEU  84  -5.999   1.272  -0.026
  636    HB2  LEU  84           HB2      LEU  84  -8.365   0.390  -0.610
  637    HB3  LEU  84           HB3      LEU  84  -8.851   0.951   0.984
  638    HG   LEU  84           HG       LEU  84  -9.445   2.497  -0.788
  639   HD11  LEU  84          HD11      LEU  84  -7.221   3.749   0.858
  640   HD12  LEU  84          HD12      LEU  84  -8.632   4.558   0.152
  641   HD13  LEU  84          HD13      LEU  84  -8.865   3.393   1.471
  642   HD21  LEU  84          HD21      LEU  84  -6.470   2.885  -1.278
  643   HD22  LEU  84          HD22      LEU  84  -7.556   1.929  -2.318
  644   HD23  LEU  84          HD23      LEU  84  -7.812   3.676  -2.129
  645    H    ALA  85           H        ALA  85  -5.181   2.823   1.355
  646    HA   ALA  85           HA       ALA  85  -4.748   2.127   4.056
  647    HB1  ALA  85           HB1      ALA  85  -4.385   4.801   2.658
  648    HB2  ALA  85           HB2      ALA  85  -3.627   4.312   4.182
  649    HB3  ALA  85           HB3      ALA  85  -3.201   3.462   2.677
  650    H    ALA  86           H        ALA  86  -7.680   3.247   2.921
  651    HA   ALA  86           HA       ALA  86  -8.234   4.598   5.515
  652    HB1  ALA  86           HB1      ALA  86  -8.043   6.227   3.652
  653    HB2  ALA  86           HB2      ALA  86  -9.333   5.366   2.788
  654    HB3  ALA  86           HB3      ALA  86  -9.686   6.168   4.338
  655    H    GLU  87           H        GLU  87  -8.722   1.781   4.090
  656    HA   GLU  87           HA       GLU  87 -11.514   1.561   5.068
  657    HB2  GLU  87           HB2      GLU  87 -10.501   0.534   2.393
  658    HB3  GLU  87           HB3      GLU  87 -12.095   0.201   3.103
  659    HG2  GLU  87           HG2      GLU  87 -12.620   2.614   3.067
  660    HG3  GLU  87           HG3      GLU  87 -11.042   2.948   2.323
  661    HA   PRO  88           HA       PRO  88  -8.605  -1.916   6.357
  662    HB2  PRO  88           HB2      PRO  88  -8.982  -1.713   9.073
  663    HB3  PRO  88           HB3      PRO  88  -7.691  -0.857   8.178
  664    HG2  PRO  88           HG2      PRO  88 -10.404   0.219   8.999
  665    HG3  PRO  88           HG3      PRO  88  -8.790   0.988   9.205
  666    HD2  PRO  88           HD2      PRO  88 -10.415   1.651   7.127
  667    HD3  PRO  88           HD3      PRO  88  -8.649   1.484   6.880
  668    H    LYS  89           H        LYS  89  -9.459  -3.966   6.836
  669    HA   LYS  89           HA       LYS  89 -12.362  -4.115   7.397
  670    HB2  LYS  89           HB2      LYS  89 -12.516  -5.675   5.346
  671    HB3  LYS  89           HB3      LYS  89 -12.566  -3.923   5.125
  672    HG2  LYS  89           HG2      LYS  89 -10.208  -3.885   4.409
  673    HG3  LYS  89           HG3      LYS  89 -10.059  -5.617   4.715
  674    HD2  LYS  89           HD2      LYS  89 -10.387  -5.287   2.356
  675    HD3  LYS  89           HD3      LYS  89 -11.841  -6.043   3.027
  676    HE2  LYS  89           HE2      LYS  89 -12.492  -4.309   1.470
  677    HE3  LYS  89           HE3      LYS  89 -12.942  -3.800   3.104
  678    HZ1  LYS  89           HZ1      LYS  89 -10.511  -2.936   1.680
  679    HZ2  LYS  89           HZ2      LYS  89 -11.886  -2.044   1.821
  680    HZ3  LYS  89           HZ3      LYS  89 -10.998  -2.408   3.153
  681    H    VAL  90           H        VAL  90 -10.263  -6.606   5.975
  682    HA   VAL  90           HA       VAL  90 -10.289  -8.092   8.550
  683    HB   VAL  90           HB       VAL  90 -10.789 -10.131   7.147
  684   HG11  VAL  90          HG11      VAL  90 -13.235  -9.777   7.213
  685   HG12  VAL  90          HG12      VAL  90 -12.469  -9.068   8.651
  686   HG13  VAL  90          HG13      VAL  90 -12.997  -8.019   7.314
  687   HG21  VAL  90          HG21      VAL  90 -11.761  -8.091   5.110
  688   HG22  VAL  90          HG22      VAL  90 -10.368  -9.194   4.929
  689   HG23  VAL  90          HG23      VAL  90 -12.015  -9.843   5.047
  690    H    ASN  91           H        ASN  91  -8.715  -7.151   5.633
  691    HA   ASN  91           HA       ASN  91  -6.698  -9.254   5.729
  692    HB2  ASN  91           HB2      ASN  91  -7.017  -6.776   3.995
  693    HB3  ASN  91           HB3      ASN  91  -5.677  -7.928   3.845
  694   HD21  ASN  91          HD21      ASN  91  -9.183  -7.497   3.433
  695   HD22  ASN  91          HD22      ASN  91  -9.413  -8.927   2.444
  696    H    ARG  92           H        ARG  92  -7.072  -7.389   8.086
  697    HA   ARG  92           HA       ARG  92  -4.182  -6.770   8.319
  698    HB2  ARG  92           HB2      ARG  92  -5.403  -4.648   8.079
  699    HB3  ARG  92           HB3      ARG  92  -6.423  -5.074   9.479
  700    HG2  ARG  92           HG2      ARG  92  -4.429  -5.197  10.917
  701    HG3  ARG  92           HG3      ARG  92  -3.374  -4.934   9.515
  702    HD2  ARG  92           HD2      ARG  92  -4.255  -2.687   9.210
  703    HD3  ARG  92           HD3      ARG  92  -5.432  -2.937  10.523
  704    HE   ARG  92           HE       ARG  92  -2.530  -3.193  11.111
  705   HH11  ARG  92          HH11      ARG  92  -5.530  -1.352  11.473
  706   HH12  ARG  92          HH12      ARG  92  -4.914  -0.399  12.803
  707   HH21  ARG  92          HH21      ARG  92  -1.764  -1.938  12.823
  708   HH22  ARG  92          HH22      ARG  92  -2.788  -0.730  13.573
  709    H    GLY  93           H        GLY  93  -3.257  -7.727   9.900
  710    HA2  GLY  93           HA2      GLY  93  -4.444  -8.417  12.442
  711    HA3  GLY  93           HA3      GLY  93  -4.236  -9.834  11.386
  712    H    LYS  94           H        LYS  94  -2.503 -10.810  12.470
  713    HA   LYS  94           HA       LYS  94   0.078  -9.329  12.230
  714    HB2  LYS  94           HB2      LYS  94  -0.854 -10.990  14.588
  715    HB3  LYS  94           HB3      LYS  94   0.792 -10.372  14.353
  716    HG2  LYS  94           HG2      LYS  94  -0.169  -8.041  14.213
  717    HG3  LYS  94           HG3      LYS  94  -1.748  -8.713  14.690
  718    HD2  LYS  94           HD2      LYS  94  -0.716  -9.627  16.753
  719    HD3  LYS  94           HD3      LYS  94   0.844  -8.923  16.264
  720    HE2  LYS  94           HE2      LYS  94  -0.172  -6.663  16.276
  721    HE3  LYS  94           HE3      LYS  94  -1.727  -7.362  16.770
  722    HZ1  LYS  94           HZ1      LYS  94  -0.673  -8.141  18.774
  723    HZ2  LYS  94           HZ2      LYS  94   0.771  -7.491  18.325
  724    HZ3  LYS  94           HZ3      LYS  94  -0.508  -6.513  18.651
  725    H    ALA  95           H        ALA  95  -1.731 -11.987  11.273
  726    HA   ALA  95           HA       ALA  95   0.656 -13.409  10.351
  727    HB1  ALA  95           HB1      ALA  95   0.006 -15.525  11.443
  728    HB2  ALA  95           HB2      ALA  95   0.330 -14.270  12.660
  729    HB3  ALA  95           HB3      ALA  95  -1.341 -14.696  12.261
  730    H    GLY  96           H        GLY  96  -0.013 -15.350   9.010
  731    HA2  GLY  96           HA2      GLY  96  -2.117 -14.567   7.180
  732    HA3  GLY  96           HA3      GLY  96  -1.104 -16.029   7.101
  733    H    VAL  97           H        VAL  97  -2.293 -16.087  10.170
  734    HA   VAL  97           HA       VAL  97  -4.701 -17.640   9.368
  735    HB   VAL  97           HB       VAL  97  -2.955 -18.997  10.373
  736   HG11  VAL  97          HG11      VAL  97  -3.251 -17.207  12.825
  737   HG12  VAL  97          HG12      VAL  97  -2.293 -18.701  12.718
  738   HG13  VAL  97          HG13      VAL  97  -1.832 -17.284  11.755
  739   HG21  VAL  97          HG21      VAL  97  -5.357 -19.518  10.800
  740   HG22  VAL  97          HG22      VAL  97  -4.290 -20.049  12.114
  741   HG23  VAL  97          HG23      VAL  97  -5.262 -18.579  12.315
  742    H    LYS  98           H        LYS  98  -6.645 -17.227  10.294
  743    HA   LYS  98           HA       LYS  98  -6.796 -14.848  12.085
  744    HB2  LYS  98           HB2      LYS  98  -8.707 -15.631   9.846
  745    HB3  LYS  98           HB3      LYS  98  -8.845 -14.200  10.879
  746    HG2  LYS  98           HG2      LYS  98  -6.538 -14.756   8.963
  747    HG3  LYS  98           HG3      LYS  98  -7.917 -13.704   8.625
  748    HD2  LYS  98           HD2      LYS  98  -7.287 -12.210  10.469
  749    HD3  LYS  98           HD3      LYS  98  -5.971 -13.300  10.942
  750    HE2  LYS  98           HE2      LYS  98  -5.084 -11.432   9.645
  751    HE3  LYS  98           HE3      LYS  98  -4.871 -12.952   8.759
  752    HZ1  LYS  98           HZ1      LYS  98  -6.812 -12.380   7.462
  753    HZ2  LYS  98           HZ2      LYS  98  -7.006 -10.971   8.285
  754    HZ3  LYS  98           HZ3      LYS  98  -5.676 -11.197   7.350
  755    H    ARG  99           H        ARG  99  -6.870 -17.903  12.452
  756    HA   ARG  99           HA       ARG  99  -9.518 -18.157  13.790
  757    HB2  ARG  99           HB2      ARG  99  -8.613 -19.784  12.005
  758    HB3  ARG  99           HB3      ARG  99  -7.530 -20.376  13.275
  759    HG2  ARG  99           HG2      ARG  99  -9.407 -21.055  14.648
  760    HG3  ARG  99           HG3      ARG  99 -10.555 -20.181  13.608
  761    HD2  ARG  99           HD2      ARG  99  -9.965 -21.626  11.714
  762    HD3  ARG  99           HD3      ARG  99  -8.817 -22.513  12.741
  763    HE   ARG  99           HE       ARG  99 -11.382 -22.539  13.987
  764   HH11  ARG  99          HH11      ARG  99  -9.772 -23.911  11.149
  765   HH12  ARG  99          HH12      ARG  99 -10.777 -25.343  11.143
  766   HH21  ARG  99          HH21      ARG  99 -12.623 -24.397  13.975
  767   HH22  ARG  99          HH22      ARG  99 -12.402 -25.618  12.736
  768    H    SER 100           H        SER 100  -9.364 -19.528  15.898
  769    HA   SER 100           HA       SER 100  -7.722 -18.205  17.813
  770    HB2  SER 100           HB2      SER 100  -9.268 -20.813  17.827
  771    HB3  SER 100           HB3      SER 100  -8.490 -20.139  19.271
  772    HG   SER 100           HG       SER 100 -10.708 -19.514  19.035
  773    H    ALA 101           H        ALA 101  -6.968 -20.705  15.561
  774    HA   ALA 101           HA       ALA 101  -5.320 -22.209  15.329
  775    HB1  ALA 101           HB1      ALA 101  -3.719 -20.141  16.867
  776    HB2  ALA 101           HB2      ALA 101  -3.065 -21.400  15.793
  777    HB3  ALA 101           HB3      ALA 101  -4.078 -20.104  15.125
  778    H    ALA 102           H        ALA 102  -6.919 -22.215  17.999
  779    HA   ALA 102           HA       ALA 102  -5.380 -24.419  19.194
  780    HB1  ALA 102           HB1      ALA 102  -6.230 -21.957  20.769
  781    HB2  ALA 102           HB2      ALA 102  -5.512 -23.434  21.448
  782    HB3  ALA 102           HB3      ALA 102  -4.559 -22.409  20.357
  783    H    GLU 103           H        GLU 103  -8.272 -23.316  18.025
  784    HA   GLU 103           HA       GLU 103 -10.012 -24.316  20.131
  785    HB2  GLU 103           HB2      GLU 103 -11.815 -23.778  18.560
  786    HB3  GLU 103           HB3      GLU 103 -10.681 -22.427  18.759
  787    HG2  GLU 103           HG2      GLU 103  -9.586 -22.989  16.627
  788    HG3  GLU 103           HG3      GLU 103 -10.630 -24.406  16.441
  789    H    MET 104           H        MET 104  -8.097 -25.863  17.897
  790    HA   MET 104           HA       MET 104  -9.985 -28.130  17.529
  791    HB2  MET 104           HB2      MET 104  -7.435 -27.381  16.059
  792    HB3  MET 104           HB3      MET 104  -8.407 -28.835  15.738
  793    HG2  MET 104           HG2      MET 104 -10.357 -27.446  15.213
  794    HG3  MET 104           HG3      MET 104  -9.443 -25.978  15.560
  795    HE1  MET 104           HE1      MET 104  -7.666 -24.914  14.093
  796    HE2  MET 104           HE2      MET 104  -6.640 -26.354  14.275
  797    HE3  MET 104           HE3      MET 104  -6.931 -25.666  12.658
  798    H    TYR 105           H        TYR 105  -7.991 -27.255  19.860
  799    HA   TYR 105           HA       TYR 105  -6.927 -30.013  20.255
  800    HB2  TYR 105           HB2      TYR 105  -5.499 -27.430  20.942
  801    HB3  TYR 105           HB3      TYR 105  -4.895 -29.069  21.200
  802    HD1  TYR 105           HD1      TYR 105  -4.091 -30.429  19.305
  803    HD2  TYR 105           HD2      TYR 105  -5.525 -26.418  18.743
  804    HE1  TYR 105           HE1      TYR 105  -3.054 -30.374  17.044
  805    HE2  TYR 105           HE2      TYR 105  -4.491 -26.344  16.494
  806    HH   TYR 105           HH       TYR 105  -3.269 -27.495  14.919
  807    H    GLY 106           H        GLY 106  -9.110 -27.805  21.329
  808    HA2  GLY 106           HA2      GLY 106  -9.495 -29.086  23.855
  809    HA3  GLY 106           HA3      GLY 106  -8.710 -27.512  24.090
  810    H5'    U   1           H5'        U   1   3.467  -6.404  11.075
  811   H5''    U   1          H5''        U   1   1.939  -7.247  10.807
  812    H4'    U   1           H4'        U   1   2.974  -4.718   9.453
  813    H3'    U   1           H3'        U   1   1.577  -4.907  11.745
  814    H2'    U   1           H2'        U   1  -0.097  -6.400  10.964
  815   HO2'    U   1          HO2'        U   1  -1.045  -4.274  11.633
  816    H1'    U   1           H1'        U   1  -0.472  -4.856   8.417
  817    H3     U   1           H3         U   1  -3.050  -8.031   6.584
  818    H5     U   1           H5         U   1  -0.625 -10.241   9.208
  819    H6     U   1           H6         U   1   0.504  -8.186   9.806
  820    H5'    U   2           H5'        U   2   1.331  -0.520   9.380
  821   H5''    U   2          H5''        U   2   1.735   0.181  10.960
  822    H4'    U   2           H4'        U   2   0.847   1.953   9.668
  823    H3'    U   2           H3'        U   2  -0.551   1.072  12.041
  824    H2'    U   2           H2'        U   2  -2.479   0.512  10.841
  825   HO2'    U   2          HO2'        U   2  -3.041   2.359  12.157
  826    H1'    U   2           H1'        U   2  -1.736   2.786   8.973
  827    H3     U   2           H3         U   2  -5.238   2.497   6.198
  828    H5     U   2           H5         U   2  -5.023  -1.388   7.777
  829    H6     U   2           H6         U   2  -3.109  -0.687   9.095
  830    H5'    U   3           H5'        U   3   2.658   2.441  10.413
  831   H5''    U   3          H5''        U   3   3.571   3.079  11.793
  832    H4'    U   3           H4'        U   3   4.853   3.637   9.885
  833    H3'    U   3           H3'        U   3   3.974   5.632  11.545
  834    H2'    U   3           H2'        U   3   2.112   6.302  10.238
  835   HO2'    U   3          HO2'        U   3   4.045   7.967  10.160
  836    H1'    U   3           H1'        U   3   3.690   5.987   7.691
  837    H3     U   3           H3         U   3   0.074   6.743   5.161
  838    H5     U   3           H5         U   3  -1.570   4.906   8.567
  839    H6     U   3           H6         U   3   0.669   4.736   9.479
  840    H5'    U   4           H5'        U   4   7.935   5.195   9.722
  841   H5''    U   4          H5''        U   4   8.884   5.814  11.084
  842    H4'    U   4           H4'        U   4  10.290   5.432   9.119
  843    H3'    U   4           H3'        U   4  10.388   7.655  10.714
  844    H2'    U   4           H2'        U   4   8.966   9.026   9.406
  845   HO2'    U   4          HO2'        U   4  11.582   9.361   8.348
  846    H1'    U   4           H1'        U   4  10.209   8.094   6.828
  847    H3     U   4           H3         U   4   7.326  11.320   5.372
  848    H5     U   4           H5         U   4   4.867   8.367   7.073
  849    H6     U   4           H6         U   4   6.842   7.267   7.893
  850    H5'    C   5           H5'        C   5  12.286   8.498  11.772
  851   H5''    C   5          H5''        C   5  13.819   7.790  12.325
  852    H4'    C   5           H4'        C   5  12.444   8.416  14.256
  853    H3'    C   5           H3'        C   5  12.560   5.414  13.813
  854    H2'    C   5           H2'        C   5  11.439   5.215  15.882
  855   HO2'    C   5          HO2'        C   5  11.384   6.927  17.381
  856    H1'    C   5           H1'        C   5  10.027   7.682  15.565
  857    H41    C   5           H41        C   5   6.429   2.398  13.696
  858    H42    C   5           H42        C   5   5.523   3.143  15.000
  859    H5     C   5           H5         C   5   6.343   5.111  16.215
  860    H6     C   5           H6         C   5   8.151   6.719  16.368
  Start of MODEL    8
    1    H1   ALA   2           H1       ALA   2  11.652   8.943  -5.586
    2    H2   ALA   2           H2       ALA   2  11.093   7.549  -4.891
    3    H3   ALA   2           H3       ALA   2  10.665   7.930  -6.445
    4    HA   ALA   2           HA       ALA   2   9.459   9.845  -5.707
    5    HB1  ALA   2           HB1      ALA   2   8.654   7.278  -4.278
    6    HB2  ALA   2           HB2      ALA   2   7.588   8.654  -4.655
    7    HB3  ALA   2           HB3      ALA   2   8.282   7.682  -5.969
    8    H    SER   3           H        SER   3   8.171  10.616  -3.672
    9    HA   SER   3           HA       SER   3  10.084  11.609  -1.793
   10    HB2  SER   3           HB2      SER   3   8.024  12.811  -2.458
   11    HB3  SER   3           HB3      SER   3   7.051  11.560  -1.644
   12    HG   SER   3           HG       SER   3   8.896  13.367  -0.486
   13    H    ASN   4           H        ASN   4  10.049  11.318   0.547
   14    HA   ASN   4           HA       ASN   4   9.668   8.499   1.293
   15    HB2  ASN   4           HB2      ASN   4  10.919   9.168   3.320
   16    HB3  ASN   4           HB3      ASN   4  11.786   9.580   1.833
   17   HD21  ASN   4          HD21      ASN   4  10.002  10.874   4.617
   18   HD22  ASN   4          HD22      ASN   4  10.472  12.539   4.376
   19    H    VAL   5           H        VAL   5   7.650  11.112   1.164
   20    HA   VAL   5           HA       VAL   5   6.422  10.689   3.817
   21    HB   VAL   5           HB       VAL   5   5.890  12.733   1.634
   22   HG11  VAL   5          HG11      VAL   5   4.791  12.532   4.469
   23   HG12  VAL   5          HG12      VAL   5   4.529  13.882   3.345
   24   HG13  VAL   5          HG13      VAL   5   3.848  12.284   2.978
   25   HG21  VAL   5          HG21      VAL   5   7.253  12.896   4.362
   26   HG22  VAL   5          HG22      VAL   5   8.064  13.012   2.779
   27   HG23  VAL   5          HG23      VAL   5   6.928  14.278   3.293
   28    H    THR   6           H        THR   6   4.579   9.666   4.181
   29    HA   THR   6           HA       THR   6   2.753   9.008   1.965
   30    HB   THR   6           HB       THR   6   2.703   6.613   2.620
   31    HG1  THR   6           HG1      THR   6   3.566   6.744   4.676
   32   HG21  THR   6          HG21      THR   6   4.750   5.907   1.550
   33   HG22  THR   6          HG22      THR   6   4.098   7.324   0.706
   34   HG23  THR   6          HG23      THR   6   5.490   7.504   1.813
   35    H    ASN   7           H        ASN   7   3.005  10.418   4.883
   36    HA   ASN   7           HA       ASN   7   0.458   9.186   5.849
   37    HB2  ASN   7           HB2      ASN   7   2.397   8.640   7.278
   38    HB3  ASN   7           HB3      ASN   7   2.672  10.370   7.540
   39   HD21  ASN   7          HD21      ASN   7   2.352   8.999   9.775
   40   HD22  ASN   7          HD22      ASN   7   0.764   9.251  10.469
   41    H    LYS   8           H        LYS   8  -1.076  10.508   5.233
   42    HA   LYS   8           HA       LYS   8  -1.243  13.178   6.438
   43    HB2  LYS   8           HB2      LYS   8  -1.608  12.711   3.443
   44    HB3  LYS   8           HB3      LYS   8  -2.111  14.164   4.328
   45    HG2  LYS   8           HG2      LYS   8   0.298  14.439   5.082
   46    HG3  LYS   8           HG3      LYS   8   0.730  13.151   3.936
   47    HD2  LYS   8           HD2      LYS   8  -0.653  15.776   3.250
   48    HD3  LYS   8           HD3      LYS   8   1.053  15.397   2.961
   49    HE2  LYS   8           HE2      LYS   8   0.401  13.547   1.455
   50    HE3  LYS   8           HE3      LYS   8  -1.310  13.899   1.757
   51    HZ1  LYS   8           HZ1      LYS   8  -0.546  14.905  -0.280
   52    HZ2  LYS   8           HZ2      LYS   8  -0.987  16.064   0.797
   53    HZ3  LYS   8           HZ3      LYS   8   0.607  15.755   0.522
   54    H    THR   9           H        THR   9  -3.615  13.935   6.268
   55    HA   THR   9           HA       THR   9  -5.396  11.547   6.121
   56    HB   THR   9           HB       THR   9  -6.625  12.380   8.048
   57    HG1  THR   9           HG1      THR   9  -6.105  14.575   7.906
   58   HG21  THR   9          HG21      THR   9  -4.758  10.770   8.363
   59   HG22  THR   9          HG22      THR   9  -3.638  12.131   8.621
   60   HG23  THR   9          HG23      THR   9  -4.969  11.837   9.764
   61    H    ASP  10           H        ASP  10  -4.808  13.869   4.196
   62    HA   ASP  10           HA       ASP  10  -7.171  15.467   4.100
   63    HB2  ASP  10           HB2      ASP  10  -5.247  14.644   1.897
   64    HB3  ASP  10           HB3      ASP  10  -6.461  15.920   1.762
   65    HA   PRO  11           HA       PRO  11 -10.204  12.689   2.785
   66    HB2  PRO  11           HB2      PRO  11 -11.901  14.225   1.283
   67    HB3  PRO  11           HB3      PRO  11 -11.675  14.448   3.046
   68    HG2  PRO  11           HG2      PRO  11 -10.291  15.944   0.793
   69    HG3  PRO  11           HG3      PRO  11 -11.147  16.637   2.216
   70    HD2  PRO  11           HD2      PRO  11  -8.461  16.328   2.231
   71    HD3  PRO  11           HD3      PRO  11  -9.421  15.945   3.695
   72    H    ARG  12           H        ARG  12  -7.892  13.670   0.572
   73    HA   ARG  12           HA       ARG  12  -8.954  11.713  -1.398
   74    HB2  ARG  12           HB2      ARG  12  -8.901  14.435  -1.873
   75    HB3  ARG  12           HB3      ARG  12  -7.346  13.924  -2.550
   76    HG2  ARG  12           HG2      ARG  12 -10.044  12.670  -3.185
   77    HG3  ARG  12           HG3      ARG  12  -9.251  13.900  -4.183
   78    HD2  ARG  12           HD2      ARG  12  -7.335  12.394  -4.557
   79    HD3  ARG  12           HD3      ARG  12  -8.104  11.145  -3.561
   80    HE   ARG  12           HE       ARG  12  -8.846  11.952  -6.290
   81   HH11  ARG  12          HH11      ARG  12  -9.800  10.215  -3.365
   82   HH12  ARG  12          HH12      ARG  12 -10.878   9.130  -4.216
   83   HH21  ARG  12          HH21      ARG  12 -10.323  10.570  -7.366
   84   HH22  ARG  12          HH22      ARG  12 -11.214   9.373  -6.455
   85    H    SER  13           H        SER  13  -6.183  13.260   0.211
   86    HA   SER  13           HA       SER  13  -4.220  11.766  -1.303
   87    HB2  SER  13           HB2      SER  13  -3.894  13.166   1.373
   88    HB3  SER  13           HB3      SER  13  -2.613  12.689   0.257
   89    HG   SER  13           HG       SER  13  -3.512  14.135  -1.280
   90    H    MET  14           H        MET  14  -6.168  11.046   1.571
   91    HA   MET  14           HA       MET  14  -4.375   8.782   2.143
   92    HB2  MET  14           HB2      MET  14  -5.436   8.503   4.154
   93    HB3  MET  14           HB3      MET  14  -5.442  10.253   3.941
   94    HG2  MET  14           HG2      MET  14  -7.783  10.190   3.222
   95    HG3  MET  14           HG3      MET  14  -7.789   8.425   3.292
   96    HE1  MET  14           HE1      MET  14  -7.437   7.676   7.117
   97    HE2  MET  14           HE2      MET  14  -7.477   7.000   5.475
   98    HE3  MET  14           HE3      MET  14  -6.053   7.900   6.034
   99    H    ASN  15           H        ASN  15  -6.727   9.343  -0.096
  100    HA   ASN  15           HA       ASN  15  -7.677   6.514  -0.055
  101    HB2  ASN  15           HB2      ASN  15  -8.764   9.005  -1.418
  102    HB3  ASN  15           HB3      ASN  15  -9.375   7.360  -1.694
  103   HD21  ASN  15          HD21      ASN  15  -9.105   9.999   0.679
  104   HD22  ASN  15          HD22      ASN  15 -10.295   9.353   1.789
  105    H    SER  16           H        SER  16  -5.616   8.788  -1.725
  106    HA   SER  16           HA       SER  16  -5.210   6.936  -3.971
  107    HB2  SER  16           HB2      SER  16  -3.622   8.661  -4.749
  108    HB3  SER  16           HB3      SER  16  -5.241   9.321  -4.430
  109    HG   SER  16           HG       SER  16  -3.592  10.621  -3.529
  110    H    ARG  17           H        ARG  17  -4.523   6.538  -0.936
  111    HA   ARG  17           HA       ARG  17  -1.630   5.848  -1.195
  112    HB2  ARG  17           HB2      ARG  17  -2.471   7.388   0.594
  113    HB3  ARG  17           HB3      ARG  17  -3.417   6.034   1.240
  114    HG2  ARG  17           HG2      ARG  17  -1.319   4.742   1.609
  115    HG3  ARG  17           HG3      ARG  17  -0.385   6.106   0.930
  116    HD2  ARG  17           HD2      ARG  17  -2.141   6.143   3.409
  117    HD3  ARG  17           HD3      ARG  17  -0.365   6.222   3.366
  118    HE   ARG  17           HE       ARG  17  -0.875   8.348   1.888
  119   HH11  ARG  17          HH11      ARG  17  -2.513   7.380   4.887
  120   HH12  ARG  17          HH12      ARG  17  -3.091   8.999   5.196
  121   HH21  ARG  17          HH21      ARG  17  -1.679  10.392   2.313
  122   HH22  ARG  17          HH22      ARG  17  -2.628  10.690   3.760
  123    H    VAL  18           H        VAL  18  -0.929   3.750  -0.493
  124    HA   VAL  18           HA       VAL  18  -3.092   1.724  -0.172
  125    HB   VAL  18           HB       VAL  18  -0.607   1.438  -1.903
  126   HG11  VAL  18          HG11      VAL  18  -1.097  -0.655  -0.742
  127   HG12  VAL  18          HG12      VAL  18  -2.818  -0.526  -1.172
  128   HG13  VAL  18          HG13      VAL  18  -1.597  -0.784  -2.440
  129   HG21  VAL  18          HG21      VAL  18  -2.353   2.732  -3.014
  130   HG22  VAL  18          HG22      VAL  18  -2.385   1.068  -3.665
  131   HG23  VAL  18          HG23      VAL  18  -3.593   1.579  -2.469
  132    H    PHE  19           H        PHE  19  -2.866   0.430   1.497
  133    HA   PHE  19           HA       PHE  19  -0.407   0.520   3.125
  134    HB2  PHE  19           HB2      PHE  19  -2.565   0.874   4.224
  135    HB3  PHE  19           HB3      PHE  19  -3.184  -0.630   3.551
  136    HD1  PHE  19           HD1      PHE  19   0.026   0.222   5.320
  137    HD2  PHE  19           HD2      PHE  19  -3.567  -2.141   5.259
  138    HE1  PHE  19           HE1      PHE  19   0.795  -1.003   7.331
  139    HE2  PHE  19           HE2      PHE  19  -2.790  -3.383   7.253
  140    HZ   PHE  19           HZ       PHE  19  -0.595  -2.840   8.282
  141    H    ILE  20           H        ILE  20   1.012  -1.146   3.218
  142    HA   ILE  20           HA       ILE  20   0.299  -3.687   1.822
  143    HB   ILE  20           HB       ILE  20   2.964  -2.225   1.950
  144   HG12  ILE  20          HG12      ILE  20   1.341  -2.868  -0.537
  145   HG13  ILE  20          HG11      ILE  20   1.117  -1.365   0.362
  146   HG21  ILE  20          HG21      ILE  20   3.273  -4.694   1.984
  147   HG22  ILE  20          HG22      ILE  20   2.236  -4.853   0.558
  148   HG23  ILE  20          HG23      ILE  20   3.801  -4.025   0.439
  149   HD11  ILE  20          HD11      ILE  20   3.737  -2.326  -0.861
  150   HD12  ILE  20          HD12      ILE  20   2.686  -1.026  -1.471
  151   HD13  ILE  20          HD13      ILE  20   3.525  -0.837   0.088
  152    H    GLY  21           H        GLY  21  -0.458  -4.529   3.789
  153    HA2  GLY  21           HA2      GLY  21   1.364  -4.735   6.077
  154    HA3  GLY  21           HA3      GLY  21  -0.275  -5.395   5.946
  155    H    ASN  22           H        ASN  22   1.468  -7.046   7.081
  156    HA   ASN  22           HA       ASN  22   2.597  -8.993   6.983
  157    HB2  ASN  22           HB2      ASN  22   0.248  -9.622   6.289
  158    HB3  ASN  22           HB3      ASN  22   0.791  -9.575   4.610
  159   HD21  ASN  22          HD21      ASN  22   0.233 -11.844   4.440
  160   HD22  ASN  22          HD22      ASN  22   1.323 -13.064   5.067
  161    H    LEU  23           H        LEU  23   4.155  -7.070   5.876
  162    HA   LEU  23           HA       LEU  23   5.226  -8.199   3.351
  163    HB2  LEU  23           HB2      LEU  23   4.655  -5.800   3.433
  164    HB3  LEU  23           HB3      LEU  23   5.751  -5.573   4.796
  165    HG   LEU  23           HG       LEU  23   7.673  -6.187   3.383
  166   HD11  LEU  23          HD11      LEU  23   5.609  -6.386   1.150
  167   HD12  LEU  23          HD12      LEU  23   7.372  -6.367   0.924
  168   HD13  LEU  23          HD13      LEU  23   6.614  -7.719   1.783
  169   HD21  LEU  23          HD21      LEU  23   6.877  -3.836   3.538
  170   HD22  LEU  23          HD22      LEU  23   7.651  -4.183   1.978
  171   HD23  LEU  23          HD23      LEU  23   5.873  -4.096   2.095
  172    H    ASN  24           H        ASN  24   7.407  -8.913   3.192
  173    HA   ASN  24           HA       ASN  24   8.398 -10.114   5.597
  174    HB2  ASN  24           HB2      ASN  24   8.691 -10.965   3.205
  175    HB3  ASN  24           HB3      ASN  24   9.869  -9.676   2.964
  176   HD21  ASN  24          HD21      ASN  24  11.748 -10.852   2.775
  177   HD22  ASN  24          HD22      ASN  24  12.364 -11.907   4.029
  178    H    THR  25           H        THR  25   9.316  -7.274   3.713
  179    HA   THR  25           HA       THR  25  10.650  -5.525   4.001
  180    HB   THR  25           HB       THR  25  10.606  -4.383   6.094
  181    HG1  THR  25           HG1      THR  25   9.822  -6.882   7.154
  182   HG21  THR  25          HG21      THR  25   8.524  -4.471   4.777
  183   HG22  THR  25          HG22      THR  25   8.006  -5.916   5.685
  184   HG23  THR  25          HG23      THR  25   8.183  -4.353   6.514
  185    H    LEU  26           H        LEU  26  11.851  -8.454   4.991
  186    HA   LEU  26           HA       LEU  26  14.444  -7.436   5.917
  187    HB2  LEU  26           HB2      LEU  26  13.253 -10.158   5.302
  188    HB3  LEU  26           HB3      LEU  26  14.928  -9.939   5.830
  189    HG   LEU  26           HG       LEU  26  12.521  -8.918   7.409
  190   HD11  LEU  26          HD11      LEU  26  14.077 -11.520   7.707
  191   HD12  LEU  26          HD12      LEU  26  12.815 -10.925   8.814
  192   HD13  LEU  26          HD13      LEU  26  12.395 -11.345   7.137
  193   HD21  LEU  26          HD21      LEU  26  14.672  -7.830   7.935
  194   HD22  LEU  26          HD22      LEU  26  14.147  -8.873   9.274
  195   HD23  LEU  26          HD23      LEU  26  15.427  -9.425   8.173
  196    H    VAL  27           H        VAL  27  12.889  -8.285   2.923
  197    HA   VAL  27           HA       VAL  27  15.543  -8.254   1.541
  198    HB   VAL  27           HB       VAL  27  13.014  -9.765   0.778
  199   HG11  VAL  27          HG11      VAL  27  15.775  -9.674  -0.521
  200   HG12  VAL  27          HG12      VAL  27  14.474 -10.807  -0.950
  201   HG13  VAL  27          HG13      VAL  27  14.260  -9.068  -1.222
  202   HG21  VAL  27          HG21      VAL  27  14.201 -10.780   2.698
  203   HG22  VAL  27          HG22      VAL  27  14.392 -11.774   1.237
  204   HG23  VAL  27          HG23      VAL  27  15.723 -10.732   1.783
  205    H    VAL  28           H        VAL  28  12.248  -6.973   1.667
  206    HA   VAL  28           HA       VAL  28  12.773  -5.431  -0.820
  207    HB   VAL  28           HB       VAL  28  10.202  -5.805   0.762
  208   HG11  VAL  28          HG11      VAL  28  10.743  -4.533  -1.953
  209   HG12  VAL  28          HG12      VAL  28   9.137  -4.833  -1.248
  210   HG13  VAL  28          HG13      VAL  28  10.233  -3.673  -0.475
  211   HG21  VAL  28          HG21      VAL  28  10.893  -7.894  -0.322
  212   HG22  VAL  28          HG22      VAL  28   9.551  -7.169  -1.234
  213   HG23  VAL  28          HG23      VAL  28  11.207  -7.031  -1.850
  214    H    LYS  29           H        LYS  29  12.664  -3.181  -0.863
  215    HA   LYS  29           HA       LYS  29  12.621  -1.762   1.755
  216    HB2  LYS  29           HB2      LYS  29  14.729  -1.354  -0.409
  217    HB3  LYS  29           HB3      LYS  29  14.571  -0.466   1.105
  218    HG2  LYS  29           HG2      LYS  29  16.209  -1.925   1.713
  219    HG3  LYS  29           HG3      LYS  29  14.802  -2.881   2.198
  220    HD2  LYS  29           HD2      LYS  29  14.936  -4.103   0.010
  221    HD3  LYS  29           HD3      LYS  29  16.334  -3.106  -0.439
  222    HE2  LYS  29           HE2      LYS  29  17.569  -3.959   1.537
  223    HE3  LYS  29           HE3      LYS  29  16.177  -4.970   1.961
  224    HZ1  LYS  29           HZ1      LYS  29  17.743  -5.158  -0.525
  225    HZ2  LYS  29           HZ2      LYS  29  17.810  -6.211   0.737
  226    HZ3  LYS  29           HZ3      LYS  29  16.431  -6.079  -0.158
  227    H    LYS  30           H        LYS  30  12.645   0.653   1.356
  228    HA   LYS  30           HA       LYS  30  10.365   1.377  -0.200
  229    HB2  LYS  30           HB2      LYS  30  10.973   3.668   0.534
  230    HB3  LYS  30           HB3      LYS  30  10.944   2.475   1.846
  231    HG2  LYS  30           HG2      LYS  30  13.548   2.252   1.228
  232    HG3  LYS  30           HG3      LYS  30  13.296   3.901   0.630
  233    HD2  LYS  30           HD2      LYS  30  12.550   2.835   3.389
  234    HD3  LYS  30           HD3      LYS  30  14.019   3.758   3.041
  235    HE2  LYS  30           HE2      LYS  30  11.171   4.785   2.638
  236    HE3  LYS  30           HE3      LYS  30  12.205   5.174   4.020
  237    HZ1  LYS  30           HZ1      LYS  30  13.769   6.171   2.491
  238    HZ2  LYS  30           HZ2      LYS  30  12.799   5.830   1.210
  239    HZ3  LYS  30           HZ3      LYS  30  12.295   6.885   2.363
  240    H    SER  31           H        SER  31  13.535   0.765  -1.199
  241    HA   SER  31           HA       SER  31  13.343   2.570  -3.551
  242    HB2  SER  31           HB2      SER  31  15.589   0.748  -2.615
  243    HB3  SER  31           HB3      SER  31  15.664   1.896  -3.967
  244    HG   SER  31           HG       SER  31  15.311   3.572  -2.479
  245    H    ASP  32           H        ASP  32  12.183  -0.407  -2.656
  246    HA   ASP  32           HA       ASP  32  12.464  -1.562  -5.391
  247    HB2  ASP  32           HB2      ASP  32  12.133  -2.795  -2.631
  248    HB3  ASP  32           HB3      ASP  32  11.903  -3.707  -4.125
  249    H    VAL  33           H        VAL  33  10.259  -0.717  -2.688
  250    HA   VAL  33           HA       VAL  33   7.901  -1.849  -3.868
  251    HB   VAL  33           HB       VAL  33   8.339   0.423  -1.896
  252   HG11  VAL  33          HG11      VAL  33   5.774  -1.113  -2.512
  253   HG12  VAL  33          HG12      VAL  33   5.982   0.131  -1.264
  254   HG13  VAL  33          HG13      VAL  33   6.091   0.574  -2.979
  255   HG21  VAL  33          HG21      VAL  33   7.665  -1.289  -0.229
  256   HG22  VAL  33          HG22      VAL  33   7.561  -2.502  -1.527
  257   HG23  VAL  33          HG23      VAL  33   9.129  -1.776  -1.106
  258    H    GLU  34           H        GLU  34   9.687   1.189  -4.319
  259    HA   GLU  34           HA       GLU  34   7.570   2.362  -5.930
  260    HB2  GLU  34           HB2      GLU  34   9.117   4.188  -6.299
  261    HB3  GLU  34           HB3      GLU  34   9.031   3.775  -4.572
  262    HG2  GLU  34           HG2      GLU  34  11.140   2.505  -4.758
  263    HG3  GLU  34           HG3      GLU  34  11.212   2.852  -6.488
  264    H    ALA  35           H        ALA  35   9.312  -0.255  -6.588
  265    HA   ALA  35           HA       ALA  35   9.453   0.393  -9.491
  266    HB1  ALA  35           HB1      ALA  35  11.719   0.216  -8.529
  267    HB2  ALA  35           HB2      ALA  35  11.323  -1.398  -7.896
  268    HB3  ALA  35           HB3      ALA  35  11.374  -1.118  -9.654
  269    H    ILE  36           H        ILE  36   8.023  -1.447  -7.025
  270    HA   ILE  36           HA       ILE  36   7.254  -3.617  -8.925
  271    HB   ILE  36           HB       ILE  36   7.194  -3.440  -5.888
  272   HG12  ILE  36          HG12      ILE  36   8.839  -5.296  -7.664
  273   HG13  ILE  36          HG11      ILE  36   9.441  -3.725  -7.130
  274   HG21  ILE  36          HG21      ILE  36   6.539  -5.851  -5.989
  275   HG22  ILE  36          HG22      ILE  36   5.313  -4.794  -6.702
  276   HG23  ILE  36          HG23      ILE  36   6.398  -5.718  -7.758
  277   HD11  ILE  36          HD11      ILE  36   8.601  -6.015  -5.312
  278   HD12  ILE  36          HD12      ILE  36  10.249  -5.424  -5.605
  279   HD13  ILE  36          HD13      ILE  36   9.085  -4.394  -4.753
  280    H    PHE  37           H        PHE  37   6.082  -0.918  -6.975
  281    HA   PHE  37           HA       PHE  37   3.279  -1.647  -7.640
  282    HB2  PHE  37           HB2      PHE  37   4.523   0.211  -5.589
  283    HB3  PHE  37           HB3      PHE  37   2.806   0.206  -5.966
  284    HD1  PHE  37           HD1      PHE  37   5.580  -1.971  -4.759
  285    HD2  PHE  37           HD2      PHE  37   1.343  -1.345  -4.976
  286    HE1  PHE  37           HE1      PHE  37   5.227  -3.872  -3.188
  287    HE2  PHE  37           HE2      PHE  37   0.981  -3.226  -3.393
  288    HZ   PHE  37           HZ       PHE  37   2.923  -4.477  -2.486
  289    H    SER  38           H        SER  38   5.846   0.235  -8.812
  290    HA   SER  38           HA       SER  38   4.393   2.612  -9.574
  291    HB2  SER  38           HB2      SER  38   6.402   3.024 -10.978
  292    HB3  SER  38           HB3      SER  38   6.803   2.624  -9.291
  293    HG   SER  38           HG       SER  38   8.059   1.465 -10.864
  294    H    LYS  39           H        LYS  39   4.487  -0.599 -10.787
  295    HA   LYS  39           HA       LYS  39   3.884   0.067 -13.554
  296    HB2  LYS  39           HB2      LYS  39   3.698  -2.346 -13.827
  297    HB3  LYS  39           HB3      LYS  39   5.138  -1.930 -12.874
  298    HG2  LYS  39           HG2      LYS  39   3.616  -2.280 -10.790
  299    HG3  LYS  39           HG3      LYS  39   2.497  -3.089 -11.906
  300    HD2  LYS  39           HD2      LYS  39   5.420  -3.808 -11.462
  301    HD3  LYS  39           HD3      LYS  39   4.041  -4.690 -10.784
  302    HE2  LYS  39           HE2      LYS  39   3.224  -5.181 -13.083
  303    HE3  LYS  39           HE3      LYS  39   4.627  -4.329 -13.756
  304    HZ1  LYS  39           HZ1      LYS  39   4.730  -6.728 -12.057
  305    HZ2  LYS  39           HZ2      LYS  39   4.994  -6.691 -13.676
  306    HZ3  LYS  39           HZ3      LYS  39   6.036  -5.924 -12.662
  307    H    TYR  40           H        TYR  40   2.028   0.009 -10.673
  308    HA   TYR  40           HA       TYR  40  -0.486  -0.423 -12.216
  309    HB2  TYR  40           HB2      TYR  40  -0.034  -0.364  -9.215
  310    HB3  TYR  40           HB3      TYR  40  -1.542  -0.760 -10.046
  311    HD1  TYR  40           HD1      TYR  40  -1.511  -2.768 -11.679
  312    HD2  TYR  40           HD2      TYR  40   1.512  -2.053  -8.714
  313    HE1  TYR  40           HE1      TYR  40  -0.786  -5.142 -11.852
  314    HE2  TYR  40           HE2      TYR  40   2.267  -4.404  -8.899
  315    HH   TYR  40           HH       TYR  40   1.874  -6.459  -9.855
  316    H    GLY  41           H        GLY  41   1.478   2.021 -10.715
  317    HA2  GLY  41           HA2      GLY  41  -0.143   4.063 -11.873
  318    HA3  GLY  41           HA3      GLY  41  -0.445   3.992 -10.126
  319    H    LYS  42           H        LYS  42   0.654   6.244 -11.426
  320    HA   LYS  42           HA       LYS  42   3.523   6.323 -11.128
  321    HB2  LYS  42           HB2      LYS  42   2.424   7.839 -12.639
  322    HB3  LYS  42           HB3      LYS  42   1.319   8.403 -11.371
  323    HG2  LYS  42           HG2      LYS  42   3.174   9.446 -10.160
  324    HG3  LYS  42           HG3      LYS  42   4.339   8.838 -11.355
  325    HD2  LYS  42           HD2      LYS  42   3.360  10.195 -13.101
  326    HD3  LYS  42           HD3      LYS  42   1.971  10.619 -12.068
  327    HE2  LYS  42           HE2      LYS  42   3.452  11.781 -10.506
  328    HE3  LYS  42           HE3      LYS  42   4.865  11.346 -11.476
  329    HZ1  LYS  42           HZ1      LYS  42   2.627  13.026 -12.403
  330    HZ2  LYS  42           HZ2      LYS  42   4.119  13.568 -11.959
  331    HZ3  LYS  42           HZ3      LYS  42   3.941  12.620 -13.293
  332    H    ILE  43           H        ILE  43   4.538   6.155  -9.233
  333    HA   ILE  43           HA       ILE  43   3.101   6.706  -6.747
  334    HB   ILE  43           HB       ILE  43   5.880   5.629  -7.351
  335   HG12  ILE  43          HG12      ILE  43   3.320   4.344  -6.315
  336   HG13  ILE  43          HG11      ILE  43   3.945   4.193  -7.968
  337   HG21  ILE  43          HG21      ILE  43   4.419   5.817  -4.679
  338   HG22  ILE  43          HG22      ILE  43   6.007   5.070  -4.954
  339   HG23  ILE  43          HG23      ILE  43   5.820   6.817  -5.152
  340   HD11  ILE  43          HD11      ILE  43   4.484   2.201  -6.677
  341   HD12  ILE  43          HD12      ILE  43   5.974   3.076  -7.100
  342   HD13  ILE  43          HD13      ILE  43   5.312   3.164  -5.446
  343    H    VAL  44           H        VAL  44   3.235   8.487  -5.564
  344    HA   VAL  44           HA       VAL  44   5.228  10.560  -6.351
  345    HB   VAL  44           HB       VAL  44   3.650  12.190  -5.407
  346   HG11  VAL  44          HG11      VAL  44   2.351  10.314  -7.427
  347   HG12  VAL  44          HG12      VAL  44   1.922  12.017  -7.136
  348   HG13  VAL  44          HG13      VAL  44   3.517  11.601  -7.801
  349   HG21  VAL  44          HG21      VAL  44   1.785   9.804  -5.048
  350   HG22  VAL  44          HG22      VAL  44   2.559  10.716  -3.728
  351   HG23  VAL  44          HG23      VAL  44   1.369  11.508  -4.778
  352    H    GLY  45           H        GLY  45   4.591   8.243  -4.015
  353    HA2  GLY  45           HA2      GLY  45   6.713   9.185  -2.332
  354    HA3  GLY  45           HA3      GLY  45   5.142   9.394  -1.541
  355    H    CYS  46           H        CYS  46   7.429   7.521  -0.952
  356    HA   CYS  46           HA       CYS  46   5.810   5.082  -0.679
  357    HB2  CYS  46           HB2      CYS  46   6.946   4.843  -2.879
  358    HB3  CYS  46           HB3      CYS  46   8.517   5.080  -2.079
  359    HG   CYS  46           HG       CYS  46   8.252   3.092  -0.400
  360    H    SER  47           H        SER  47   6.454   3.805   1.077
  361    HA   SER  47           HA       SER  47   8.988   4.383   2.424
  362    HB2  SER  47           HB2      SER  47   7.973   4.921   4.563
  363    HB3  SER  47           HB3      SER  47   7.405   6.077   3.337
  364    HG   SER  47           HG       SER  47   5.564   5.471   4.222
  365    H    VAL  48           H        VAL  48   9.619   2.740   3.821
  366    HA   VAL  48           HA       VAL  48   7.804   0.384   4.032
  367    HB   VAL  48           HB       VAL  48  10.775   0.357   3.396
  368   HG11  VAL  48          HG11      VAL  48   8.844  -1.921   4.032
  369   HG12  VAL  48          HG12      VAL  48  10.474  -2.129   3.346
  370   HG13  VAL  48          HG13      VAL  48  10.284  -1.454   4.970
  371   HG21  VAL  48          HG21      VAL  48   9.306   0.782   1.463
  372   HG22  VAL  48          HG22      VAL  48   9.983  -0.860   1.377
  373   HG23  VAL  48          HG23      VAL  48   8.306  -0.623   1.897
  374    H    HIS  49           H        HIS  49   8.017  -0.819   5.922
  375    HA   HIS  49           HA       HIS  49   9.533   0.422   8.154
  376    HB2  HIS  49           HB2      HIS  49   6.597  -0.376   8.194
  377    HB3  HIS  49           HB3      HIS  49   7.516   0.338   9.524
  378    HD2  HIS  49           HD2      HIS  49   6.113   1.264   6.015
  379    HE1  HIS  49           HE1      HIS  49   6.801   4.909   8.088
  380    HE2  HIS  49           HE2      HIS  49   5.857   3.870   5.966
  381    H    LYS  50           H        LYS  50   8.444  -1.401  10.126
  382    HA   LYS  50           HA       LYS  50   9.540  -3.960   9.078
  383    HB2  LYS  50           HB2      LYS  50   8.973  -3.008  11.913
  384    HB3  LYS  50           HB3      LYS  50   9.595  -4.609  11.489
  385    HG2  LYS  50           HG2      LYS  50  10.959  -1.933  10.996
  386    HG3  LYS  50           HG3      LYS  50  11.439  -3.176  12.158
  387    HD2  LYS  50           HD2      LYS  50  11.509  -3.385   9.120
  388    HD3  LYS  50           HD3      LYS  50  12.894  -3.283  10.214
  389    HE2  LYS  50           HE2      LYS  50  12.337  -5.447  11.203
  390    HE3  LYS  50           HE3      LYS  50  10.854  -5.546  10.237
  391    HZ1  LYS  50           HZ1      LYS  50  13.571  -5.466   9.124
  392    HZ2  LYS  50           HZ2      LYS  50  12.637  -6.818   9.283
  393    HZ3  LYS  50           HZ3      LYS  50  12.170  -5.619   8.265
  394    H    GLY  51           H        GLY  51   8.242  -5.397   8.324
  395    HA2  GLY  51           HA2      GLY  51   6.515  -6.941   8.339
  396    HA3  GLY  51           HA3      GLY  51   5.774  -6.107   9.715
  397    H    PHE  52           H        PHE  52   6.237  -3.561   7.712
  398    HA   PHE  52           HA       PHE  52   4.092  -4.108   5.797
  399    HB2  PHE  52           HB2      PHE  52   2.628  -2.353   6.587
  400    HB3  PHE  52           HB3      PHE  52   2.839  -3.570   7.836
  401    HD1  PHE  52           HD1      PHE  52   4.336  -3.062   9.820
  402    HD2  PHE  52           HD2      PHE  52   3.265  -0.081   6.911
  403    HE1  PHE  52           HE1      PHE  52   4.989  -1.275  11.406
  404    HE2  PHE  52           HE2      PHE  52   3.928   1.704   8.499
  405    HZ   PHE  52           HZ       PHE  52   4.790   1.101  10.753
  406    H    ALA  53           H        ALA  53   3.583  -2.110   4.504
  407    HA   ALA  53           HA       ALA  53   5.649  -0.009   4.456
  408    HB1  ALA  53           HB1      ALA  53   5.096  -1.882   2.119
  409    HB2  ALA  53           HB2      ALA  53   6.017  -0.367   2.012
  410    HB3  ALA  53           HB3      ALA  53   6.625  -1.700   3.014
  411    H    PHE  54           H        PHE  54   5.043   1.617   2.660
  412    HA   PHE  54           HA       PHE  54   2.126   1.739   2.162
  413    HB2  PHE  54           HB2      PHE  54   3.777   3.627   3.810
  414    HB3  PHE  54           HB3      PHE  54   2.577   4.316   2.721
  415    HD1  PHE  54           HD1      PHE  54   0.169   3.530   2.851
  416    HD2  PHE  54           HD2      PHE  54   3.075   2.746   5.931
  417    HE1  PHE  54           HE1      PHE  54  -1.654   3.123   4.466
  418    HE2  PHE  54           HE2      PHE  54   1.240   2.325   7.541
  419    HZ   PHE  54           HZ       PHE  54  -1.126   2.521   6.811
  420    H    VAL  55           H        VAL  55   1.535   2.925   0.374
  421    HA   VAL  55           HA       VAL  55   3.672   4.142  -1.292
  422    HB   VAL  55           HB       VAL  55   1.583   2.128  -2.232
  423   HG11  VAL  55          HG11      VAL  55   1.812   3.886  -3.920
  424   HG12  VAL  55          HG12      VAL  55   3.585   3.805  -3.803
  425   HG13  VAL  55          HG13      VAL  55   2.664   2.436  -4.466
  426   HG21  VAL  55          HG21      VAL  55   4.626   2.107  -2.236
  427   HG22  VAL  55          HG22      VAL  55   3.582   1.111  -1.195
  428   HG23  VAL  55          HG23      VAL  55   3.588   0.853  -2.955
  429    H    GLN  56           H        GLN  56   2.948   5.814  -2.636
  430    HA   GLN  56           HA       GLN  56   0.177   6.771  -2.102
  431    HB2  GLN  56           HB2      GLN  56   1.955   7.915  -0.703
  432    HB3  GLN  56           HB3      GLN  56   2.738   8.430  -2.199
  433    HG2  GLN  56           HG2      GLN  56   1.427  10.277  -1.474
  434    HG3  GLN  56           HG3      GLN  56   0.546   9.571  -2.832
  435   HE21  GLN  56          HE21      GLN  56  -1.618   9.454  -2.486
  436   HE22  GLN  56          HE22      GLN  56  -2.367   9.221  -0.926
  437    H    TYR  57           H        TYR  57  -0.910   7.356  -3.911
  438    HA   TYR  57           HA       TYR  57   0.607   7.494  -6.474
  439    HB2  TYR  57           HB2      TYR  57  -2.225   6.573  -5.885
  440    HB3  TYR  57           HB3      TYR  57  -1.540   6.785  -7.498
  441    HD1  TYR  57           HD1      TYR  57   0.928   5.616  -7.698
  442    HD2  TYR  57           HD2      TYR  57  -2.352   4.311  -5.227
  443    HE1  TYR  57           HE1      TYR  57   1.849   3.305  -7.676
  444    HE2  TYR  57           HE2      TYR  57  -1.395   2.027  -5.175
  445    HH   TYR  57           HH       TYR  57   0.280   0.676  -5.844
  446    H    VAL  58           H        VAL  58  -0.823   8.676  -8.193
  447    HA   VAL  58           HA       VAL  58  -1.163  11.398  -7.296
  448    HB   VAL  58           HB       VAL  58  -1.724   9.961  -9.921
  449   HG11  VAL  58          HG11      VAL  58  -1.865  12.938  -9.276
  450   HG12  VAL  58          HG12      VAL  58  -1.889  12.233 -10.912
  451   HG13  VAL  58          HG13      VAL  58  -3.213  11.899  -9.791
  452   HG21  VAL  58          HG21      VAL  58   0.653  10.149  -9.264
  453   HG22  VAL  58          HG22      VAL  58   0.275  11.179 -10.660
  454   HG23  VAL  58          HG23      VAL  58   0.450  11.902  -9.043
  455    H    ASN  59           H        ASN  59  -3.350   8.633  -7.863
  456    HA   ASN  59           HA       ASN  59  -5.413  10.113  -6.441
  457    HB2  ASN  59           HB2      ASN  59  -6.993  10.350  -8.071
  458    HB3  ASN  59           HB3      ASN  59  -5.516  10.690  -8.996
  459   HD21  ASN  59          HD21      ASN  59  -4.526   8.373  -9.878
  460   HD22  ASN  59          HD22      ASN  59  -5.738   7.458 -10.733
  461    H    GLU  60           H        GLU  60  -7.452   8.782  -6.197
  462    HA   GLU  60           HA       GLU  60  -6.855   6.332  -4.951
  463    HB2  GLU  60           HB2      GLU  60  -8.748   7.734  -4.397
  464    HB3  GLU  60           HB3      GLU  60  -9.431   7.523  -6.023
  465    HG2  GLU  60           HG2      GLU  60  -9.715   5.096  -5.578
  466    HG3  GLU  60           HG3      GLU  60  -9.085   5.334  -3.939
  467    H    ARG  61           H        ARG  61  -7.811   6.957  -8.356
  468    HA   ARG  61           HA       ARG  61  -8.653   4.314  -8.967
  469    HB2  ARG  61           HB2      ARG  61  -9.051   6.122 -10.515
  470    HB3  ARG  61           HB3      ARG  61  -7.324   6.494 -10.616
  471    HG2  ARG  61           HG2      ARG  61  -8.154   5.303 -12.627
  472    HG3  ARG  61           HG3      ARG  61  -6.848   4.455 -11.788
  473    HD2  ARG  61           HD2      ARG  61  -8.562   2.865 -12.453
  474    HD3  ARG  61           HD3      ARG  61  -8.486   2.980 -10.692
  475    HE   ARG  61           HE       ARG  61 -10.446   4.815 -11.734
  476   HH11  ARG  61          HH11      ARG  61  -9.911   1.377 -11.116
  477   HH12  ARG  61          HH12      ARG  61 -11.614   1.022 -10.937
  478   HH21  ARG  61          HH21      ARG  61 -12.667   4.328 -11.494
  479   HH22  ARG  61          HH22      ARG  61 -13.170   2.688 -11.159
  480    H    ASN  62           H        ASN  62  -5.391   5.787  -8.836
  481    HA   ASN  62           HA       ASN  62  -4.075   3.447  -9.905
  482    HB2  ASN  62           HB2      ASN  62  -3.202   5.919  -8.389
  483    HB3  ASN  62           HB3      ASN  62  -2.057   4.630  -8.837
  484   HD21  ASN  62          HD21      ASN  62  -2.591   3.863 -11.294
  485   HD22  ASN  62          HD22      ASN  62  -2.593   5.190 -12.438
  486    H    ALA  63           H        ALA  63  -5.237   4.376  -6.725
  487    HA   ALA  63           HA       ALA  63  -3.598   2.437  -5.298
  488    HB1  ALA  63           HB1      ALA  63  -6.156   3.874  -4.459
  489    HB2  ALA  63           HB2      ALA  63  -5.043   2.996  -3.394
  490    HB3  ALA  63           HB3      ALA  63  -4.501   4.478  -4.211
  491    H    ARG  64           H        ARG  64  -6.874   2.506  -6.712
  492    HA   ARG  64           HA       ARG  64  -7.686  -0.058  -5.664
  493    HB2  ARG  64           HB2      ARG  64  -8.565   1.406  -8.193
  494    HB3  ARG  64           HB3      ARG  64  -9.410   0.043  -7.451
  495    HG2  ARG  64           HG2      ARG  64  -8.993   2.771  -6.155
  496    HG3  ARG  64           HG3      ARG  64 -10.471   2.215  -6.949
  497    HD2  ARG  64           HD2      ARG  64 -10.664   0.380  -5.293
  498    HD3  ARG  64           HD3      ARG  64  -9.212   0.991  -4.466
  499    HE   ARG  64           HE       ARG  64 -11.016   3.150  -4.729
  500   HH11  ARG  64          HH11      ARG  64 -10.866   0.061  -2.998
  501   HH12  ARG  64          HH12      ARG  64 -11.843   0.654  -1.673
  502   HH21  ARG  64          HH21      ARG  64 -12.277   3.849  -3.038
  503   HH22  ARG  64          HH22      ARG  64 -12.659   2.790  -1.693
  504    H    ALA  65           H        ALA  65  -5.682   0.951  -8.394
  505    HA   ALA  65           HA       ALA  65  -5.884  -1.613  -9.756
  506    HB1  ALA  65           HB1      ALA  65  -3.926   0.697 -10.080
  507    HB2  ALA  65           HB2      ALA  65  -4.145  -0.660 -11.208
  508    HB3  ALA  65           HB3      ALA  65  -5.467   0.507 -10.950
  509    H    ALA  66           H        ALA  66  -3.682  -0.119  -7.364
  510    HA   ALA  66           HA       ALA  66  -1.768  -2.314  -7.617
  511    HB1  ALA  66           HB1      ALA  66  -0.589  -1.113  -5.850
  512    HB2  ALA  66           HB2      ALA  66  -1.093  -0.003  -7.152
  513    HB3  ALA  66           HB3      ALA  66  -1.997  -0.039  -5.619
  514    H    VAL  67           H        VAL  67  -4.407  -1.367  -5.373
  515    HA   VAL  67           HA       VAL  67  -3.907  -3.416  -3.431
  516    HB   VAL  67           HB       VAL  67  -6.369  -1.857  -4.278
  517   HG11  VAL  67          HG11      VAL  67  -6.053  -3.759  -1.915
  518   HG12  VAL  67          HG12      VAL  67  -7.396  -2.612  -2.132
  519   HG13  VAL  67          HG13      VAL  67  -7.183  -3.945  -3.278
  520   HG21  VAL  67          HG21      VAL  67  -4.658  -1.731  -1.756
  521   HG22  VAL  67          HG22      VAL  67  -4.476  -0.631  -3.138
  522   HG23  VAL  67          HG23      VAL  67  -5.980  -0.633  -2.191
  523    H    ALA  68           H        ALA  68  -5.560  -3.391  -6.584
  524    HA   ALA  68           HA       ALA  68  -6.428  -6.181  -6.121
  525    HB1  ALA  68           HB1      ALA  68  -6.911  -4.301  -8.464
  526    HB2  ALA  68           HB2      ALA  68  -7.673  -5.893  -8.211
  527    HB3  ALA  68           HB3      ALA  68  -8.020  -4.557  -7.096
  528    H    GLY  69           H        GLY  69  -3.675  -4.579  -7.348
  529    HA2  GLY  69           HA2      GLY  69  -3.113  -6.714  -9.330
  530    HA3  GLY  69           HA3      GLY  69  -2.282  -5.159  -9.173
  531    H    GLU  70           H        GLU  70  -2.314  -5.934  -6.039
  532    HA   GLU  70           HA       GLU  70   0.148  -7.649  -6.207
  533    HB2  GLU  70           HB2      GLU  70  -0.232  -4.970  -4.845
  534    HB3  GLU  70           HB3      GLU  70   1.090  -6.084  -4.454
  535    HG2  GLU  70           HG2      GLU  70   0.558  -5.086  -7.273
  536    HG3  GLU  70           HG3      GLU  70   1.636  -4.260  -6.139
  537    H    ASP  71           H        ASP  71  -2.825  -6.808  -4.488
  538    HA   ASP  71           HA       ASP  71  -2.111  -7.935  -1.973
  539    HB2  ASP  71           HB2      ASP  71  -4.132  -6.597  -2.290
  540    HB3  ASP  71           HB3      ASP  71  -4.779  -7.807  -3.413
  541    H    GLY  72           H        GLY  72  -1.419  -9.956  -1.538
  542    HA2  GLY  72           HA2      GLY  72  -1.645 -12.288  -1.426
  543    HA3  GLY  72           HA3      GLY  72  -2.856 -12.237  -2.718
  544    H    ARG  73           H        ARG  73  -0.161 -10.326  -3.553
  545    HA   ARG  73           HA       ARG  73   0.933 -12.314  -5.373
  546    HB2  ARG  73           HB2      ARG  73   2.339 -10.601  -6.138
  547    HB3  ARG  73           HB3      ARG  73   0.804  -9.807  -5.757
  548    HG2  ARG  73           HG2      ARG  73   2.063  -8.344  -4.558
  549    HG3  ARG  73           HG3      ARG  73   2.163  -9.631  -3.345
  550    HD2  ARG  73           HD2      ARG  73   4.400  -8.842  -3.843
  551    HD3  ARG  73           HD3      ARG  73   4.248 -10.460  -4.561
  552    HE   ARG  73           HE       ARG  73   3.718  -8.019  -6.173
  553   HH11  ARG  73          HH11      ARG  73   5.730 -10.911  -5.685
  554   HH12  ARG  73          HH12      ARG  73   6.492 -10.751  -7.250
  555   HH21  ARG  73          HH21      ARG  73   4.725  -7.864  -8.153
  556   HH22  ARG  73          HH22      ARG  73   5.938  -9.030  -8.641
  557    H    MET  74           H        MET  74   3.467 -12.665  -5.176
  558    HA   MET  74           HA       MET  74   3.976 -13.290  -2.298
  559    HB2  MET  74           HB2      MET  74   3.485 -15.238  -3.764
  560    HB3  MET  74           HB3      MET  74   4.924 -14.853  -4.724
  561    HG2  MET  74           HG2      MET  74   6.387 -15.274  -2.895
  562    HG3  MET  74           HG3      MET  74   5.074 -15.171  -1.714
  563    HE1  MET  74           HE1      MET  74   3.133 -18.452  -2.036
  564    HE2  MET  74           HE2      MET  74   3.430 -16.980  -1.088
  565    HE3  MET  74           HE3      MET  74   2.747 -16.857  -2.719
  566    H    ILE  75           H        ILE  75   5.572 -12.199  -1.421
  567    HA   ILE  75           HA       ILE  75   7.844 -11.383  -3.157
  568    HB   ILE  75           HB       ILE  75   5.908  -9.705  -1.787
  569   HG12  ILE  75          HG12      ILE  75   8.308  -9.163  -3.573
  570   HG13  ILE  75          HG11      ILE  75   6.668  -9.554  -4.114
  571   HG21  ILE  75          HG21      ILE  75   8.818  -9.249  -1.030
  572   HG22  ILE  75          HG22      ILE  75   7.456  -8.132  -0.723
  573   HG23  ILE  75          HG23      ILE  75   7.500  -9.701   0.080
  574   HD11  ILE  75          HD11      ILE  75   5.834  -7.450  -3.061
  575   HD12  ILE  75          HD12      ILE  75   7.492  -7.058  -2.554
  576   HD13  ILE  75          HD13      ILE  75   7.084  -7.143  -4.274
  577    H    ALA  76           H        ALA  76   9.838 -11.650  -2.322
  578    HA   ALA  76           HA       ALA  76  11.393 -12.755  -1.129
  579    HB1  ALA  76           HB1      ALA  76   9.867 -11.734   1.288
  580    HB2  ALA  76           HB2      ALA  76  11.580 -12.219   1.214
  581    HB3  ALA  76           HB3      ALA  76  11.022 -10.772   0.332
  582    H    GLY  77           H        GLY  77   8.700 -14.136  -1.706
  583    HA2  GLY  77           HA2      GLY  77   8.227 -16.412  -1.598
  584    HA3  GLY  77           HA3      GLY  77   9.343 -16.585  -0.222
  585    H    GLN  78           H        GLN  78   7.355 -13.899   0.365
  586    HA   GLN  78           HA       GLN  78   5.369 -15.558   1.837
  587    HB2  GLN  78           HB2      GLN  78   7.013 -14.762   3.374
  588    HB3  GLN  78           HB3      GLN  78   6.990 -13.147   2.674
  589    HG2  GLN  78           HG2      GLN  78   4.304 -13.813   3.518
  590    HG3  GLN  78           HG3      GLN  78   5.437 -14.141   4.841
  591   HE21  GLN  78          HE21      GLN  78   5.161 -11.667   2.215
  592   HE22  GLN  78          HE22      GLN  78   5.321 -10.288   3.283
  593    H    VAL  79           H        VAL  79   3.298 -15.061   1.515
  594    HA   VAL  79           HA       VAL  79   2.459 -13.321  -0.586
  595    HB   VAL  79           HB       VAL  79   0.879 -14.545   1.719
  596   HG11  VAL  79          HG11      VAL  79   0.043 -13.548  -1.027
  597   HG12  VAL  79          HG12      VAL  79  -1.017 -14.421   0.104
  598   HG13  VAL  79          HG13      VAL  79  -0.402 -12.818   0.543
  599   HG21  VAL  79          HG21      VAL  79   2.108 -16.272   0.466
  600   HG22  VAL  79          HG22      VAL  79   0.377 -16.347   0.085
  601   HG23  VAL  79          HG23      VAL  79   1.502 -15.603  -1.070
  602    H    LEU  80           H        LEU  80   1.617 -11.284  -0.614
  603    HA   LEU  80           HA       LEU  80   1.922  -9.711   1.879
  604    HB2  LEU  80           HB2      LEU  80   1.315  -8.729  -0.931
  605    HB3  LEU  80           HB3      LEU  80   1.741  -7.757   0.479
  606    HG   LEU  80           HG       LEU  80   3.531  -9.726  -0.989
  607   HD11  LEU  80          HD11      LEU  80   3.577  -6.714  -0.510
  608   HD12  LEU  80          HD12      LEU  80   4.890  -7.635  -1.269
  609   HD13  LEU  80          HD13      LEU  80   3.291  -7.543  -2.056
  610   HD21  LEU  80          HD21      LEU  80   3.979  -9.920   1.419
  611   HD22  LEU  80          HD22      LEU  80   5.286  -9.024   0.625
  612   HD23  LEU  80          HD23      LEU  80   4.044  -8.148   1.564
  613    H    ASP  81           H        ASP  81   0.311  -8.226   2.580
  614    HA   ASP  81           HA       ASP  81  -2.468  -8.903   1.728
  615    HB2  ASP  81           HB2      ASP  81  -1.940  -9.847   3.963
  616    HB3  ASP  81           HB3      ASP  81  -1.472  -8.236   4.530
  617    H    ILE  82           H        ILE  82  -2.947  -7.198   0.443
  618    HA   ILE  82           HA       ILE  82  -2.006  -4.499   1.297
  619    HB   ILE  82           HB       ILE  82  -2.310  -5.747  -1.432
  620   HG12  ILE  82          HG12      ILE  82   0.110  -4.477  -0.105
  621   HG13  ILE  82          HG11      ILE  82  -0.285  -6.181   0.174
  622   HG21  ILE  82          HG21      ILE  82  -1.526  -2.882  -0.709
  623   HG22  ILE  82          HG22      ILE  82  -1.525  -3.586  -2.340
  624   HG23  ILE  82          HG23      ILE  82  -3.054  -3.356  -1.482
  625   HD11  ILE  82          HD11      ILE  82   0.168  -4.986  -2.568
  626   HD12  ILE  82          HD12      ILE  82   1.353  -5.931  -1.622
  627   HD13  ILE  82          HD13      ILE  82  -0.153  -6.698  -2.157
  628    H    ASN  83           H        ASN  83  -3.437  -2.812   1.309
  629    HA   ASN  83           HA       ASN  83  -6.200  -3.149   0.350
  630    HB2  ASN  83           HB2      ASN  83  -6.022  -4.288   2.601
  631    HB3  ASN  83           HB3      ASN  83  -5.612  -2.714   3.297
  632   HD21  ASN  83          HD21      ASN  83  -7.263  -1.047   3.360
  633   HD22  ASN  83          HD22      ASN  83  -8.944  -1.481   3.168
  634    H    LEU  84           H        LEU  84  -7.382  -1.048   0.428
  635    HA   LEU  84           HA       LEU  84  -5.756   1.224   0.022
  636    HB2  LEU  84           HB2      LEU  84  -8.251   0.690  -0.640
  637    HB3  LEU  84           HB3      LEU  84  -8.628   1.332   0.971
  638    HG   LEU  84           HG       LEU  84  -7.237   3.391   0.299
  639   HD11  LEU  84          HD11      LEU  84  -7.674   2.122  -2.442
  640   HD12  LEU  84          HD12      LEU  84  -7.045   3.758  -2.141
  641   HD13  LEU  84          HD13      LEU  84  -6.099   2.343  -1.644
  642   HD21  LEU  84          HD21      LEU  84  -9.686   3.431   0.394
  643   HD22  LEU  84          HD22      LEU  84  -9.115   4.366  -1.009
  644   HD23  LEU  84          HD23      LEU  84  -9.784   2.735  -1.242
  645    H    ALA  85           H        ALA  85  -5.239   2.994   1.386
  646    HA   ALA  85           HA       ALA  85  -4.815   2.281   4.130
  647    HB1  ALA  85           HB1      ALA  85  -4.534   4.962   2.735
  648    HB2  ALA  85           HB2      ALA  85  -3.812   4.510   4.292
  649    HB3  ALA  85           HB3      ALA  85  -3.281   3.694   2.795
  650    H    ALA  86           H        ALA  86  -7.704   3.264   2.740
  651    HA   ALA  86           HA       ALA  86  -8.546   4.613   5.263
  652    HB1  ALA  86           HB1      ALA  86  -9.902   6.153   3.928
  653    HB2  ALA  86           HB2      ALA  86  -8.182   6.270   3.482
  654    HB3  ALA  86           HB3      ALA  86  -9.314   5.390   2.430
  655    H    GLU  87           H        GLU  87  -8.879   1.828   3.684
  656    HA   GLU  87           HA       GLU  87 -11.706   1.548   4.535
  657    HB2  GLU  87           HB2      GLU  87 -10.602   0.682   1.837
  658    HB3  GLU  87           HB3      GLU  87 -12.183   0.207   2.496
  659    HG2  GLU  87           HG2      GLU  87 -12.854   2.589   2.621
  660    HG3  GLU  87           HG3      GLU  87 -11.300   3.056   1.908
  661    HA   PRO  88           HA       PRO  88  -8.783  -1.956   5.784
  662    HB2  PRO  88           HB2      PRO  88  -9.030  -1.701   8.507
  663    HB3  PRO  88           HB3      PRO  88  -7.780  -0.837   7.559
  664    HG2  PRO  88           HG2      PRO  88 -10.482   0.203   8.455
  665    HG3  PRO  88           HG3      PRO  88  -8.881   1.005   8.625
  666    HD2  PRO  88           HD2      PRO  88 -10.536   1.648   6.587
  667    HD3  PRO  88           HD3      PRO  88  -8.774   1.481   6.299
  668    H    LYS  89           H        LYS  89  -9.532  -3.928   6.691
  669    HA   LYS  89           HA       LYS  89 -12.483  -4.069   6.973
  670    HB2  LYS  89           HB2      LYS  89 -12.338  -6.131   5.461
  671    HB3  LYS  89           HB3      LYS  89 -12.284  -4.521   4.737
  672    HG2  LYS  89           HG2      LYS  89  -9.844  -4.652   4.465
  673    HG3  LYS  89           HG3      LYS  89  -9.815  -6.232   5.276
  674    HD2  LYS  89           HD2      LYS  89  -9.714  -6.518   2.864
  675    HD3  LYS  89           HD3      LYS  89 -11.247  -7.164   3.483
  676    HE2  LYS  89           HE2      LYS  89 -12.405  -5.095   2.790
  677    HE3  LYS  89           HE3      LYS  89 -10.868  -4.410   2.235
  678    HZ1  LYS  89           HZ1      LYS  89 -12.121  -5.355   0.428
  679    HZ2  LYS  89           HZ2      LYS  89 -10.731  -6.209   0.642
  680    HZ3  LYS  89           HZ3      LYS  89 -12.161  -6.827   1.155
  681    H    VAL  90           H        VAL  90 -10.636  -6.960   6.586
  682    HA   VAL  90           HA       VAL  90 -10.729  -7.468   9.527
  683    HB   VAL  90           HB       VAL  90 -11.531  -9.787   8.863
  684   HG11  VAL  90          HG11      VAL  90 -13.440  -7.446   8.383
  685   HG12  VAL  90          HG12      VAL  90 -13.905  -9.100   8.844
  686   HG13  VAL  90          HG13      VAL  90 -12.976  -8.093   9.973
  687   HG21  VAL  90          HG21      VAL  90 -11.125  -9.628   6.432
  688   HG22  VAL  90          HG22      VAL  90 -12.814 -10.026   6.806
  689   HG23  VAL  90          HG23      VAL  90 -12.391  -8.380   6.301
  690    H    ASN  91           H        ASN  91  -9.113  -7.780   6.502
  691    HA   ASN  91           HA       ASN  91  -7.588 -10.147   7.200
  692    HB2  ASN  91           HB2      ASN  91  -7.067  -8.104   5.014
  693    HB3  ASN  91           HB3      ASN  91  -6.461  -9.769   5.097
  694   HD21  ASN  91          HD21      ASN  91  -8.484 -11.389   5.564
  695   HD22  ASN  91          HD22      ASN  91  -9.773 -11.197   4.390
  696    H    ARG  92           H        ARG  92  -7.372  -6.977   8.331
  697    HA   ARG  92           HA       ARG  92  -4.469  -6.769   8.392
  698    HB2  ARG  92           HB2      ARG  92  -5.965  -4.779   8.357
  699    HB3  ARG  92           HB3      ARG  92  -6.560  -5.226   9.969
  700    HG2  ARG  92           HG2      ARG  92  -4.186  -5.153  10.817
  701    HG3  ARG  92           HG3      ARG  92  -3.661  -4.654   9.196
  702    HD2  ARG  92           HD2      ARG  92  -3.815  -2.700  10.561
  703    HD3  ARG  92           HD3      ARG  92  -5.142  -2.653   9.383
  704    HE   ARG  92           HE       ARG  92  -6.703  -3.076  11.123
  705   HH11  ARG  92          HH11      ARG  92  -3.371  -2.912  12.361
  706   HH12  ARG  92          HH12      ARG  92  -3.891  -2.788  14.021
  707   HH21  ARG  92          HH21      ARG  92  -7.317  -2.880  13.304
  708   HH22  ARG  92          HH22      ARG  92  -6.102  -2.756  14.553
  709    H    GLY  93           H        GLY  93  -3.856  -8.773   9.319
  710    HA2  GLY  93           HA2      GLY  93  -4.492  -9.130  12.201
  711    HA3  GLY  93           HA3      GLY  93  -3.872 -10.383  11.098
  712    H    LYS  94           H        LYS  94  -1.917 -10.886  12.094
  713    HA   LYS  94           HA       LYS  94   0.121  -8.708  12.082
  714    HB2  LYS  94           HB2      LYS  94  -0.584 -10.542  14.378
  715    HB3  LYS  94           HB3      LYS  94   0.952  -9.632  14.259
  716    HG2  LYS  94           HG2      LYS  94  -0.394  -7.518  14.034
  717    HG3  LYS  94           HG3      LYS  94  -1.860  -8.466  14.378
  718    HD2  LYS  94           HD2      LYS  94  -0.870  -9.186  16.531
  719    HD3  LYS  94           HD3      LYS  94   0.577  -8.210  16.175
  720    HE2  LYS  94           HE2      LYS  94  -0.824  -6.167  16.090
  721    HE3  LYS  94           HE3      LYS  94  -2.267  -7.136  16.427
  722    HZ1  LYS  94           HZ1      LYS  94  -1.418  -6.106  18.407
  723    HZ2  LYS  94           HZ2      LYS  94  -1.303  -7.740  18.534
  724    HZ3  LYS  94           HZ3      LYS  94   0.040  -6.843  18.229
  725    H    ALA  95           H        ALA  95  -0.727 -12.063  11.557
  726    HA   ALA  95           HA       ALA  95   1.877 -12.532  10.324
  727    HB1  ALA  95           HB1      ALA  95   2.371 -14.525  11.706
  728    HB2  ALA  95           HB2      ALA  95   2.337 -13.052  12.705
  729    HB3  ALA  95           HB3      ALA  95   0.959 -14.174  12.725
  730    H    GLY  96           H        GLY  96   1.884 -14.408   8.989
  731    HA2  GLY  96           HA2      GLY  96  -0.764 -15.226   8.048
  732    HA3  GLY  96           HA3      GLY  96   0.810 -15.642   7.342
  733    H    VAL  97           H        VAL  97   1.467 -16.350  10.400
  734    HA   VAL  97           HA       VAL  97   0.303 -19.080  10.258
  735    HB   VAL  97           HB       VAL  97   2.752 -18.983  10.091
  736   HG11  VAL  97          HG11      VAL  97   2.664 -17.856  12.922
  737   HG12  VAL  97          HG12      VAL  97   4.116 -18.349  12.024
  738   HG13  VAL  97          HG13      VAL  97   3.162 -16.960  11.466
  739   HG21  VAL  97          HG21      VAL  97   1.596 -20.928  11.114
  740   HG22  VAL  97          HG22      VAL  97   3.221 -20.668  11.785
  741   HG23  VAL  97          HG23      VAL  97   1.793 -20.187  12.718
  742    H    LYS  98           H        LYS  98  -0.768 -19.908  11.991
  743    HA   LYS  98           HA       LYS  98  -1.519 -17.932  14.093
  744    HB2  LYS  98           HB2      LYS  98  -3.141 -20.294  13.091
  745    HB3  LYS  98           HB3      LYS  98  -3.689 -18.980  14.152
  746    HG2  LYS  98           HG2      LYS  98  -2.854 -18.728  11.229
  747    HG3  LYS  98           HG3      LYS  98  -4.503 -18.673  11.851
  748    HD2  LYS  98           HD2      LYS  98  -4.022 -16.607  13.077
  749    HD3  LYS  98           HD3      LYS  98  -2.317 -16.669  12.570
  750    HE2  LYS  98           HE2      LYS  98  -2.974 -16.512  10.212
  751    HE3  LYS  98           HE3      LYS  98  -4.689 -16.476  10.679
  752    HZ1  LYS  98           HZ1      LYS  98  -2.642 -14.471  11.358
  753    HZ2  LYS  98           HZ2      LYS  98  -3.872 -14.285  10.285
  754    HZ3  LYS  98           HZ3      LYS  98  -4.206 -14.432  11.887
  755    H    ARG  99           H        ARG  99   0.799 -19.798  14.086
  756    HA   ARG  99           HA       ARG  99   0.206 -21.190  16.627
  757    HB2  ARG  99           HB2      ARG  99   0.098 -22.622  14.387
  758    HB3  ARG  99           HB3      ARG  99   1.857 -22.533  14.476
  759    HG2  ARG  99           HG2      ARG  99   1.120 -24.580  15.532
  760    HG3  ARG  99           HG3      ARG  99   1.740 -23.500  16.794
  761    HD2  ARG  99           HD2      ARG  99  -0.338 -24.512  17.560
  762    HD3  ARG  99           HD3      ARG  99  -0.611 -22.781  17.274
  763    HE   ARG  99           HE       ARG  99  -1.245 -24.368  14.942
  764   HH11  ARG  99          HH11      ARG  99  -2.485 -23.357  18.095
  765   HH12  ARG  99          HH12      ARG  99  -4.158 -23.550  17.625
  766   HH21  ARG  99          HH21      ARG  99  -3.433 -24.600  14.358
  767   HH22  ARG  99          HH22      ARG  99  -4.694 -24.241  15.513
  768    H    SER 100           H        SER 100   2.350 -21.984  17.619
  769    HA   SER 100           HA       SER 100   4.122 -19.785  17.944
  770    HB2  SER 100           HB2      SER 100   4.335 -22.734  18.636
  771    HB3  SER 100           HB3      SER 100   5.460 -21.498  19.217
  772    HG   SER 100           HG       SER 100   3.686 -20.451  20.201
  773    H    ALA 101           H        ALA 101   3.970 -22.138  15.441
  774    HA   ALA 101           HA       ALA 101   5.392 -22.915  13.877
  775    HB1  ALA 101           HB1      ALA 101   6.708 -20.198  14.215
  776    HB2  ALA 101           HB2      ALA 101   6.820 -21.257  12.794
  777    HB3  ALA 101           HB3      ALA 101   5.261 -20.539  13.239
  778    H    ALA 102           H        ALA 102   6.209 -23.174  16.853
  779    HA   ALA 102           HA       ALA 102   8.817 -24.399  16.297
  780    HB1  ALA 102           HB1      ALA 102   8.423 -22.277  18.447
  781    HB2  ALA 102           HB2      ALA 102   9.891 -23.253  18.206
  782    HB3  ALA 102           HB3      ALA 102   9.380 -22.091  16.962
  783    H    GLU 103           H        GLU 103   5.877 -25.008  17.169
  784    HA   GLU 103           HA       GLU 103   6.023 -25.915  19.886
  785    HB2  GLU 103           HB2      GLU 103   3.872 -27.012  19.357
  786    HB3  GLU 103           HB3      GLU 103   3.913 -25.303  18.886
  787    HG2  GLU 103           HG2      GLU 103   4.265 -25.898  16.547
  788    HG3  GLU 103           HG3      GLU 103   4.447 -27.606  16.968
  789    H    MET 104           H        MET 104   7.509 -27.162  17.155
  790    HA   MET 104           HA       MET 104   7.424 -29.958  18.173
  791    HB2  MET 104           HB2      MET 104   8.247 -28.814  15.485
  792    HB3  MET 104           HB3      MET 104   8.369 -30.529  15.934
  793    HG2  MET 104           HG2      MET 104   5.961 -30.626  16.352
  794    HG3  MET 104           HG3      MET 104   5.794 -28.913  15.958
  795    HE1  MET 104           HE1      MET 104   7.605 -28.479  13.425
  796    HE2  MET 104           HE2      MET 104   6.396 -28.736  12.151
  797    HE3  MET 104           HE3      MET 104   5.945 -27.871  13.638
  798    H    TYR 105           H        TYR 105   9.149 -27.322  18.844
  799    HA   TYR 105           HA       TYR 105  11.693 -28.836  19.099
  800    HB2  TYR 105           HB2      TYR 105  11.451 -25.929  18.275
  801    HB3  TYR 105           HB3      TYR 105  12.945 -26.850  18.466
  802    HD1  TYR 105           HD1      TYR 105  13.558 -28.599  16.820
  803    HD2  TYR 105           HD2      TYR 105  10.063 -26.152  16.333
  804    HE1  TYR 105           HE1      TYR 105  13.413 -29.293  14.433
  805    HE2  TYR 105           HE2      TYR 105   9.902 -26.841  13.949
  806    HH   TYR 105           HH       TYR 105  12.262 -29.095  12.470
  807    H    GLY 106           H        GLY 106   9.212 -27.477  20.752
  808    HA2  GLY 106           HA2      GLY 106  10.580 -27.392  23.242
  809    HA3  GLY 106           HA3      GLY 106  10.368 -25.734  22.651
  810    H5'    U   1           H5'        U   1   3.565  -6.551   9.903
  811   H5''    U   1          H5''        U   1   3.590  -5.626  11.419
  812    H4'    U   1           H4'        U   1   2.588  -4.218   9.790
  813    H3'    U   1           H3'        U   1   1.230  -4.822  12.094
  814    H2'    U   1           H2'        U   1  -0.074  -6.550  11.099
  815   HO2'    U   1          HO2'        U   1  -1.457  -4.120  11.096
  816    H1'    U   1           H1'        U   1  -0.474  -4.818   8.660
  817    H3     U   1           H3         U   1  -3.037  -8.024   6.747
  818    H5     U   1           H5         U   1  -0.271 -10.247   9.004
  819    H6     U   1           H6         U   1   0.733  -8.150   9.714
  820    H5'    U   2           H5'        U   2  -1.389  -0.727  10.123
  821   H5''    U   2          H5''        U   2   0.250  -0.847   9.451
  822    H4'    U   2           H4'        U   2   0.774   1.412  10.180
  823    H3'    U   2           H3'        U   2  -0.962   1.160  12.258
  824    H2'    U   2           H2'        U   2  -2.861   0.684  10.867
  825   HO2'    U   2          HO2'        U   2  -2.856   3.463  11.480
  826    H1'    U   2           H1'        U   2  -2.147   3.124   9.240
  827    H3     U   2           H3         U   2  -5.335   2.651   6.153
  828    H5     U   2           H5         U   2  -4.946  -1.257   7.645
  829    H6     U   2           H6         U   2  -3.188  -0.477   9.098
  830    H5'    U   3           H5'        U   3   2.433   2.248  10.611
  831   H5''    U   3          H5''        U   3   3.330   2.858  12.010
  832    H4'    U   3           H4'        U   3   4.690   3.320  10.127
  833    H3'    U   3           H3'        U   3   3.836   5.357  11.764
  834    H2'    U   3           H2'        U   3   2.112   6.183  10.392
  835   HO2'    U   3          HO2'        U   3   4.124   7.694  10.406
  836    H1'    U   3           H1'        U   3   3.726   5.716   7.897
  837    H3     U   3           H3         U   3   0.285   6.662   5.214
  838    H5     U   3           H5         U   3  -1.619   5.020   8.591
  839    H6     U   3           H6         U   3   0.555   4.715   9.597
  840    H5'    U   4           H5'        U   4   7.931   4.984   9.919
  841   H5''    U   4          H5''        U   4   8.943   5.618  11.225
  842    H4'    U   4           H4'        U   4  10.183   5.429   9.104
  843    H3'    U   4           H3'        U   4  10.246   7.599  10.823
  844    H2'    U   4           H2'        U   4   8.713   8.935   9.632
  845   HO2'    U   4          HO2'        U   4  11.263   9.413   8.468
  846    H1'    U   4           H1'        U   4   9.873   8.071   6.983
  847    H3     U   4           H3         U   4   6.999  11.344   5.642
  848    H5     U   4           H5         U   4   4.533   8.471   7.453
  849    H6     U   4           H6         U   4   6.536   7.304   8.186
  850    H5'    C   5           H5'        C   5  12.987   5.669   7.394
  851   H5''    C   5          H5''        C   5  12.444   3.991   7.488
  852    H4'    C   5           H4'        C   5  15.007   4.899   8.856
  853    H3'    C   5           H3'        C   5  14.762   5.200   6.172
  854    H2'    C   5           H2'        C   5  13.797   3.017   5.815
  855   HO2'    C   5          HO2'        C   5  15.642   3.274   4.424
  856    H1'    C   5           H1'        C   5  16.011   1.927   7.559
  857    H41    C   5           H41        C   5  11.311  -2.695   6.863
  858    H42    C   5           H42        C   5  12.723  -3.387   6.075
  859    H5     C   5           H5         C   5  14.807  -2.134   5.791
  860    H6     C   5           H6         C   5  15.904  -0.011   6.220
  Start of MODEL    9
    1    H1   ALA   2           H1       ALA   2  11.787   8.687  -5.554
    2    H2   ALA   2           H2       ALA   2  11.233   7.295  -4.850
    3    H3   ALA   2           H3       ALA   2  10.768   7.687  -6.391
    4    HA   ALA   2           HA       ALA   2   9.595   9.610  -5.612
    5    HB1  ALA   2           HB1      ALA   2   7.738   8.442  -4.533
    6    HB2  ALA   2           HB2      ALA   2   8.394   7.454  -5.848
    7    HB3  ALA   2           HB3      ALA   2   8.792   7.058  -4.160
    8    H    SER   3           H        SER   3   8.437  10.473  -3.592
    9    HA   SER   3           HA       SER   3  10.413  11.337  -1.701
   10    HB2  SER   3           HB2      SER   3   8.479  12.695  -2.409
   11    HB3  SER   3           HB3      SER   3   7.378  11.536  -1.631
   12    HG   SER   3           HG       SER   3   7.921  13.367  -0.311
   13    H    ASN   4           H        ASN   4  10.272  11.093   0.655
   14    HA   ASN   4           HA       ASN   4   9.802   8.288   1.405
   15    HB2  ASN   4           HB2      ASN   4  10.958  10.688   2.879
   16    HB3  ASN   4           HB3      ASN   4  10.856   9.059   3.557
   17   HD21  ASN   4          HD21      ASN   4  13.305  10.358   3.366
   18   HD22  ASN   4          HD22      ASN   4  14.290   9.563   2.162
   19    H    VAL   5           H        VAL   5   7.855  11.007   1.220
   20    HA   VAL   5           HA       VAL   5   6.525  10.613   3.813
   21    HB   VAL   5           HB       VAL   5   6.081  12.591   1.557
   22   HG11  VAL   5          HG11      VAL   5   4.838  12.446   4.340
   23   HG12  VAL   5          HG12      VAL   5   4.649  13.790   3.192
   24   HG13  VAL   5          HG13      VAL   5   3.969  12.199   2.803
   25   HG21  VAL   5          HG21      VAL   5   8.195  12.886   2.803
   26   HG22  VAL   5          HG22      VAL   5   7.050  14.178   3.213
   27   HG23  VAL   5          HG23      VAL   5   7.312  12.827   4.342
   28    H    THR   6           H        THR   6   4.733   9.542   4.183
   29    HA   THR   6           HA       THR   6   2.883   8.893   1.982
   30    HB   THR   6           HB       THR   6   2.800   6.509   2.648
   31    HG1  THR   6           HG1      THR   6   3.689   6.636   4.696
   32   HG21  THR   6          HG21      THR   6   4.829   5.776   1.558
   33   HG22  THR   6          HG22      THR   6   4.196   7.203   0.718
   34   HG23  THR   6          HG23      THR   6   5.599   7.353   1.815
   35    H    ASN   7           H        ASN   7   3.146  10.338   4.900
   36    HA   ASN   7           HA       ASN   7   0.646   9.059   5.903
   37    HB2  ASN   7           HB2      ASN   7   2.637   8.753   7.345
   38    HB3  ASN   7           HB3      ASN   7   2.759  10.509   7.527
   39   HD21  ASN   7          HD21      ASN   7   2.514   8.953   9.761
   40   HD22  ASN   7          HD22      ASN   7   0.934   9.183  10.477
   41    H    LYS   8           H        LYS   8  -0.923  10.228   5.055
   42    HA   LYS   8           HA       LYS   8  -1.248  13.003   5.996
   43    HB2  LYS   8           HB2      LYS   8  -1.555  12.158   3.080
   44    HB3  LYS   8           HB3      LYS   8  -2.121  13.693   3.770
   45    HG2  LYS   8           HG2      LYS   8   0.239  14.156   4.519
   46    HG3  LYS   8           HG3      LYS   8   0.759  12.730   3.589
   47    HD2  LYS   8           HD2      LYS   8  -0.693  15.165   2.476
   48    HD3  LYS   8           HD3      LYS   8   1.048  14.849   2.329
   49    HE2  LYS   8           HE2      LYS   8   0.574  12.774   1.070
   50    HE3  LYS   8           HE3      LYS   8  -1.169  13.073   1.226
   51    HZ1  LYS   8           HZ1      LYS   8  -0.877  15.097  -0.015
   52    HZ2  LYS   8           HZ2      LYS   8   0.739  14.841  -0.155
   53    HZ3  LYS   8           HZ3      LYS   8  -0.319  13.817  -0.884
   54    H    THR   9           H        THR   9  -3.513  13.566   6.181
   55    HA   THR   9           HA       THR   9  -5.246  11.138   6.173
   56    HB   THR   9           HB       THR   9  -6.346  12.070   8.164
   57    HG1  THR   9           HG1      THR   9  -5.334  13.827   9.187
   58   HG21  THR   9          HG21      THR   9  -3.325  11.832   8.471
   59   HG22  THR   9          HG22      THR   9  -4.538  11.605   9.751
   60   HG23  THR   9          HG23      THR   9  -4.467  10.467   8.392
   61    H    ASP  10           H        ASP  10  -4.883  13.577   4.206
   62    HA   ASP  10           HA       ASP  10  -7.383  14.947   4.243
   63    HB2  ASP  10           HB2      ASP  10  -5.517  14.291   1.928
   64    HB3  ASP  10           HB3      ASP  10  -6.838  15.459   1.866
   65    HA   PRO  11           HA       PRO  11 -10.243  11.928   3.161
   66    HB2  PRO  11           HB2      PRO  11 -12.146  13.296   1.735
   67    HB3  PRO  11           HB3      PRO  11 -11.832  13.574   3.481
   68    HG2  PRO  11           HG2      PRO  11 -10.707  15.131   1.131
   69    HG3  PRO  11           HG3      PRO  11 -11.538  15.777   2.589
   70    HD2  PRO  11           HD2      PRO  11  -8.841  15.689   2.468
   71    HD3  PRO  11           HD3      PRO  11  -9.677  15.231   3.982
   72    H    ARG  12           H        ARG  12  -8.234  13.132   0.732
   73    HA   ARG  12           HA       ARG  12  -9.261  11.057  -1.159
   74    HB2  ARG  12           HB2      ARG  12  -9.452  13.711  -1.638
   75    HB3  ARG  12           HB3      ARG  12  -7.822  13.436  -2.262
   76    HG2  ARG  12           HG2      ARG  12 -10.327  11.892  -3.051
   77    HG3  ARG  12           HG3      ARG  12  -9.635  13.233  -3.971
   78    HD2  ARG  12           HD2      ARG  12  -7.551  11.902  -4.309
   79    HD3  ARG  12           HD3      ARG  12  -8.304  10.549  -3.443
   80    HE   ARG  12           HE       ARG  12  -9.692  10.120  -5.263
   81   HH11  ARG  12          HH11      ARG  12  -7.886  13.121  -5.797
   82   HH12  ARG  12          HH12      ARG  12  -8.317  13.209  -7.490
   83   HH21  ARG  12          HH21      ARG  12 -10.235  10.272  -7.469
   84   HH22  ARG  12          HH22      ARG  12  -9.640  11.604  -8.428
   85    H    SER  13           H        SER  13  -6.486  12.756   0.307
   86    HA   SER  13           HA       SER  13  -4.521  11.333  -1.261
   87    HB2  SER  13           HB2      SER  13  -4.208  12.741   1.414
   88    HB3  SER  13           HB3      SER  13  -2.906  12.292   0.291
   89    HG   SER  13           HG       SER  13  -3.855  13.689  -1.243
   90    H    MET  14           H        MET  14  -6.277  10.615   1.768
   91    HA   MET  14           HA       MET  14  -4.422   8.416   2.284
   92    HB2  MET  14           HB2      MET  14  -5.425   8.123   4.334
   93    HB3  MET  14           HB3      MET  14  -5.466   9.875   4.073
   94    HG2  MET  14           HG2      MET  14  -7.830   9.729   3.417
   95    HG3  MET  14           HG3      MET  14  -7.792   7.974   3.605
   96    HE1  MET  14           HE1      MET  14  -7.196   7.588   7.510
   97    HE2  MET  14           HE2      MET  14  -7.232   6.749   5.947
   98    HE3  MET  14           HE3      MET  14  -5.874   7.817   6.359
   99    H    ASN  15           H        ASN  15  -6.957   8.852   0.177
  100    HA   ASN  15           HA       ASN  15  -7.545   5.928   0.128
  101    HB2  ASN  15           HB2      ASN  15  -8.955   8.314  -1.121
  102    HB3  ASN  15           HB3      ASN  15  -9.339   6.626  -1.498
  103   HD21  ASN  15          HD21      ASN  15  -9.709   9.201   0.835
  104   HD22  ASN  15          HD22      ASN  15 -10.680   8.293   1.974
  105    H    SER  16           H        SER  16  -5.792   8.503  -1.410
  106    HA   SER  16           HA       SER  16  -5.192   6.929  -3.811
  107    HB2  SER  16           HB2      SER  16  -3.939   9.502  -2.775
  108    HB3  SER  16           HB3      SER  16  -3.799   8.821  -4.412
  109    HG   SER  16           HG       SER  16  -6.147   9.766  -3.132
  110    H    ARG  17           H        ARG  17  -4.377   6.562  -0.662
  111    HA   ARG  17           HA       ARG  17  -1.548   5.773  -1.178
  112    HB2  ARG  17           HB2      ARG  17  -1.989   7.328   0.681
  113    HB3  ARG  17           HB3      ARG  17  -3.057   6.117   1.431
  114    HG2  ARG  17           HG2      ARG  17  -1.260   4.585   1.776
  115    HG3  ARG  17           HG3      ARG  17  -0.189   5.484   0.678
  116    HD2  ARG  17           HD2      ARG  17   0.426   5.859   3.007
  117    HD3  ARG  17           HD3      ARG  17  -0.064   7.346   2.185
  118    HE   ARG  17           HE       ARG  17  -1.641   5.857   4.239
  119   HH11  ARG  17          HH11      ARG  17  -1.204   8.775   2.264
  120   HH12  ARG  17          HH12      ARG  17  -2.320   9.710   3.234
  121   HH21  ARG  17          HH21      ARG  17  -3.002   7.127   5.492
  122   HH22  ARG  17          HH22      ARG  17  -3.324   8.790   5.052
  123    H    VAL  18           H        VAL  18  -0.862   3.695  -0.588
  124    HA   VAL  18           HA       VAL  18  -3.012   1.679  -0.139
  125    HB   VAL  18           HB       VAL  18  -0.579   1.442  -1.950
  126   HG11  VAL  18          HG11      VAL  18  -1.557  -0.769  -2.502
  127   HG12  VAL  18          HG12      VAL  18  -1.055  -0.665  -0.803
  128   HG13  VAL  18          HG13      VAL  18  -2.780  -0.536  -1.227
  129   HG21  VAL  18          HG21      VAL  18  -2.353   2.762  -2.979
  130   HG22  VAL  18          HG22      VAL  18  -2.349   1.134  -3.697
  131   HG23  VAL  18          HG23      VAL  18  -3.575   1.564  -2.481
  132    H    PHE  19           H        PHE  19  -2.728   0.453   1.535
  133    HA   PHE  19           HA       PHE  19  -0.192   0.504   3.053
  134    HB2  PHE  19           HB2      PHE  19  -2.264   0.920   4.258
  135    HB3  PHE  19           HB3      PHE  19  -2.989  -0.538   3.592
  136    HD1  PHE  19           HD1      PHE  19   0.358   0.049   5.225
  137    HD2  PHE  19           HD2      PHE  19  -3.420  -1.983   5.307
  138    HE1  PHE  19           HE1      PHE  19   1.105  -1.255   7.195
  139    HE2  PHE  19           HE2      PHE  19  -2.679  -3.294   7.281
  140    HZ   PHE  19           HZ       PHE  19  -0.409  -2.955   8.212
  141    H    ILE  20           H        ILE  20   1.181  -1.202   3.144
  142    HA   ILE  20           HA       ILE  20   0.384  -3.729   1.766
  143    HB   ILE  20           HB       ILE  20   3.072  -2.316   1.810
  144   HG12  ILE  20          HG12      ILE  20   1.375  -2.901  -0.643
  145   HG13  ILE  20          HG11      ILE  20   1.201  -1.399   0.273
  146   HG21  ILE  20          HG21      ILE  20   2.229  -4.911   0.435
  147   HG22  ILE  20          HG22      ILE  20   3.812  -4.119   0.260
  148   HG23  ILE  20          HG23      ILE  20   3.328  -4.787   1.824
  149   HD11  ILE  20          HD11      ILE  20   2.739  -1.086  -1.592
  150   HD12  ILE  20          HD12      ILE  20   3.605  -0.917  -0.043
  151   HD13  ILE  20          HD13      ILE  20   3.777  -2.404  -0.999
  152    H    GLY  21           H        GLY  21  -0.333  -4.503   3.777
  153    HA2  GLY  21           HA2      GLY  21   1.575  -4.766   5.997
  154    HA3  GLY  21           HA3      GLY  21  -0.106  -5.315   5.952
  155    H    ASN  22           H        ASN  22   1.621  -7.024   7.047
  156    HA   ASN  22           HA       ASN  22   2.567  -9.067   6.960
  157    HB2  ASN  22           HB2      ASN  22   0.114  -9.417   6.331
  158    HB3  ASN  22           HB3      ASN  22   0.670  -9.620   4.666
  159   HD21  ASN  22          HD21      ASN  22   1.790 -11.543   4.085
  160   HD22  ASN  22          HD22      ASN  22   1.839 -12.929   5.147
  161    H    LEU  23           H        LEU  23   4.114  -7.194   5.702
  162    HA   LEU  23           HA       LEU  23   5.097  -8.386   3.174
  163    HB2  LEU  23           HB2      LEU  23   4.591  -5.979   3.261
  164    HB3  LEU  23           HB3      LEU  23   5.682  -5.780   4.630
  165    HG   LEU  23           HG       LEU  23   7.607  -6.407   3.205
  166   HD11  LEU  23          HD11      LEU  23   6.517  -7.870   1.571
  167   HD12  LEU  23          HD12      LEU  23   5.546  -6.498   0.967
  168   HD13  LEU  23          HD13      LEU  23   7.310  -6.518   0.749
  169   HD21  LEU  23          HD21      LEU  23   5.850  -4.239   1.993
  170   HD22  LEU  23          HD22      LEU  23   6.866  -4.043   3.438
  171   HD23  LEU  23          HD23      LEU  23   7.622  -4.363   1.860
  172    H    ASN  24           H        ASN  24   7.288  -9.103   2.960
  173    HA   ASN  24           HA       ASN  24   8.301 -10.354   5.329
  174    HB2  ASN  24           HB2      ASN  24   8.569 -11.200   2.950
  175    HB3  ASN  24           HB3      ASN  24   9.713  -9.891   2.670
  176   HD21  ASN  24          HD21      ASN  24  11.554 -11.166   2.363
  177   HD22  ASN  24          HD22      ASN  24  12.245 -12.160   3.624
  178    H    THR  25           H        THR  25   9.289  -7.539   3.431
  179    HA   THR  25           HA       THR  25  10.660  -5.820   3.708
  180    HB   THR  25           HB       THR  25  10.699  -4.671   5.814
  181    HG1  THR  25           HG1      THR  25   9.854  -7.162   6.827
  182   HG21  THR  25          HG21      THR  25   8.037  -6.077   5.379
  183   HG22  THR  25          HG22      THR  25   8.285  -4.537   6.225
  184   HG23  THR  25          HG23      THR  25   8.631  -4.648   4.487
  185    H    LEU  26           H        LEU  26  11.767  -8.794   4.773
  186    HA   LEU  26           HA       LEU  26  14.409  -7.870   5.616
  187    HB2  LEU  26           HB2      LEU  26  13.250 -10.576   4.850
  188    HB3  LEU  26           HB3      LEU  26  14.883 -10.324   5.488
  189    HG   LEU  26           HG       LEU  26  12.236  -9.767   6.913
  190   HD11  LEU  26          HD11      LEU  26  13.012 -11.544   8.431
  191   HD12  LEU  26          HD12      LEU  26  12.876 -12.137   6.763
  192   HD13  LEU  26          HD13      LEU  26  14.477 -11.759   7.444
  193   HD21  LEU  26          HD21      LEU  26  15.092  -9.297   7.839
  194   HD22  LEU  26          HD22      LEU  26  13.829  -8.056   7.586
  195   HD23  LEU  26          HD23      LEU  26  13.660  -9.245   8.891
  196    H    VAL  27           H        VAL  27  12.802  -8.618   2.614
  197    HA   VAL  27           HA       VAL  27  15.442  -8.563   1.200
  198    HB   VAL  27           HB       VAL  27  12.907 -10.059   0.444
  199   HG11  VAL  27          HG11      VAL  27  15.657  -9.939  -0.875
  200   HG12  VAL  27          HG12      VAL  27  14.377 -11.091  -1.306
  201   HG13  VAL  27          HG13      VAL  27  14.124  -9.358  -1.567
  202   HG21  VAL  27          HG21      VAL  27  14.111 -11.098   2.347
  203   HG22  VAL  27          HG22      VAL  27  14.289 -12.075   0.877
  204   HG23  VAL  27          HG23      VAL  27  15.630 -11.043   1.417
  205    H    VAL  28           H        VAL  28  12.168  -7.236   1.391
  206    HA   VAL  28           HA       VAL  28  12.648  -5.717  -1.116
  207    HB   VAL  28           HB       VAL  28  10.135  -6.043   0.561
  208   HG11  VAL  28          HG11      VAL  28  10.579  -4.721  -2.153
  209   HG12  VAL  28          HG12      VAL  28   9.003  -5.017  -1.387
  210   HG13  VAL  28          HG13      VAL  28  10.144  -3.886  -0.642
  211   HG21  VAL  28          HG21      VAL  28  10.756  -8.118  -0.586
  212   HG22  VAL  28          HG22      VAL  28   9.380  -7.359  -1.418
  213   HG23  VAL  28          HG23      VAL  28  11.013  -7.228  -2.105
  214    H    LYS  29           H        LYS  29  12.608  -3.479  -1.205
  215    HA   LYS  29           HA       LYS  29  12.692  -1.981   1.378
  216    HB2  LYS  29           HB2      LYS  29  14.717  -1.701  -0.887
  217    HB3  LYS  29           HB3      LYS  29  14.648  -0.754   0.599
  218    HG2  LYS  29           HG2      LYS  29  16.275  -2.227   1.191
  219    HG3  LYS  29           HG3      LYS  29  14.875  -3.142   1.766
  220    HD2  LYS  29           HD2      LYS  29  14.893  -4.436  -0.390
  221    HD3  LYS  29           HD3      LYS  29  16.286  -3.474  -0.926
  222    HE2  LYS  29           HE2      LYS  29  17.586  -4.287   1.021
  223    HE3  LYS  29           HE3      LYS  29  16.206  -5.272   1.532
  224    HZ1  LYS  29           HZ1      LYS  29  17.658  -5.535  -1.020
  225    HZ2  LYS  29           HZ2      LYS  29  17.776  -6.558   0.259
  226    HZ3  LYS  29           HZ3      LYS  29  16.356  -6.436  -0.563
  227    H    LYS  30           H        LYS  30  12.752   0.413   0.891
  228    HA   LYS  30           HA       LYS  30  10.430   1.116  -0.592
  229    HB2  LYS  30           HB2      LYS  30  11.114   3.427   0.034
  230    HB3  LYS  30           HB3      LYS  30  11.129   2.291   1.388
  231    HG2  LYS  30           HG2      LYS  30  13.694   1.974   0.679
  232    HG3  LYS  30           HG3      LYS  30  13.466   3.578  -0.029
  233    HD2  LYS  30           HD2      LYS  30  12.799   2.744   2.822
  234    HD3  LYS  30           HD3      LYS  30  14.270   3.607   2.362
  235    HE2  LYS  30           HE2      LYS  30  11.424   4.653   1.989
  236    HE3  LYS  30           HE3      LYS  30  12.544   5.162   3.264
  237    HZ1  LYS  30           HZ1      LYS  30  12.979   5.507   0.368
  238    HZ2  LYS  30           HZ2      LYS  30  12.562   6.695   1.416
  239    HZ3  LYS  30           HZ3      LYS  30  14.026   5.966   1.550
  240    H    SER  31           H        SER  31  13.559   0.456  -1.705
  241    HA   SER  31           HA       SER  31  13.372   2.241  -4.059
  242    HB2  SER  31           HB2      SER  31  15.599   1.228  -4.567
  243    HB3  SER  31           HB3      SER  31  15.535   2.056  -2.988
  244    HG   SER  31           HG       SER  31  16.527  -0.009  -2.862
  245    H    ASP  32           H        ASP  32  12.446  -0.880  -3.027
  246    HA   ASP  32           HA       ASP  32  12.333  -2.001  -5.772
  247    HB2  ASP  32           HB2      ASP  32  11.996  -3.127  -2.969
  248    HB3  ASP  32           HB3      ASP  32  11.638  -4.058  -4.429
  249    H    VAL  33           H        VAL  33  10.284  -0.940  -3.025
  250    HA   VAL  33           HA       VAL  33   7.822  -1.949  -4.092
  251    HB   VAL  33           HB       VAL  33   8.453   0.346  -2.204
  252   HG11  VAL  33          HG11      VAL  33   5.798  -1.073  -2.734
  253   HG12  VAL  33          HG12      VAL  33   6.099   0.148  -1.482
  254   HG13  VAL  33          HG13      VAL  33   6.188   0.603  -3.199
  255   HG21  VAL  33          HG21      VAL  33   7.758  -1.289  -0.469
  256   HG22  VAL  33          HG22      VAL  33   7.515  -2.519  -1.727
  257   HG23  VAL  33          HG23      VAL  33   9.148  -1.895  -1.392
  258    H    GLU  34           H        GLU  34   9.745   0.979  -4.669
  259    HA   GLU  34           HA       GLU  34   7.644   2.215  -6.262
  260    HB2  GLU  34           HB2      GLU  34   9.234   3.987  -6.666
  261    HB3  GLU  34           HB3      GLU  34   9.172   3.584  -4.937
  262    HG2  GLU  34           HG2      GLU  34  11.235   2.243  -5.169
  263    HG3  GLU  34           HG3      GLU  34  11.295   2.611  -6.896
  264    H    ALA  35           H        ALA  35   9.264  -0.478  -6.889
  265    HA   ALA  35           HA       ALA  35   9.360   0.096  -9.810
  266    HB1  ALA  35           HB1      ALA  35  11.639  -0.174  -8.899
  267    HB2  ALA  35           HB2      ALA  35  11.179  -1.751  -8.215
  268    HB3  ALA  35           HB3      ALA  35  11.203  -1.521  -9.977
  269    H    ILE  36           H        ILE  36   7.886  -1.596  -7.276
  270    HA   ILE  36           HA       ILE  36   6.974  -3.781  -9.109
  271    HB   ILE  36           HB       ILE  36   7.046  -3.579  -6.078
  272   HG12  ILE  36          HG12      ILE  36   8.531  -5.516  -7.898
  273   HG13  ILE  36          HG11      ILE  36   9.228  -3.971  -7.398
  274   HG21  ILE  36          HG21      ILE  36   5.072  -4.858  -6.807
  275   HG22  ILE  36          HG22      ILE  36   6.082  -5.838  -7.896
  276   HG23  ILE  36          HG23      ILE  36   6.273  -5.957  -6.133
  277   HD11  ILE  36          HD11      ILE  36   8.945  -4.599  -5.014
  278   HD12  ILE  36          HD12      ILE  36   8.350  -6.201  -5.523
  279   HD13  ILE  36          HD13      ILE  36  10.015  -5.704  -5.894
  280    H    PHE  37           H        PHE  37   5.994  -1.035  -7.113
  281    HA   PHE  37           HA       PHE  37   3.148  -1.624  -7.712
  282    HB2  PHE  37           HB2      PHE  37   4.508   0.136  -5.646
  283    HB3  PHE  37           HB3      PHE  37   2.781   0.198  -5.970
  284    HD1  PHE  37           HD1      PHE  37   5.520  -2.053  -4.853
  285    HD2  PHE  37           HD2      PHE  37   1.280  -1.370  -5.036
  286    HE1  PHE  37           HE1      PHE  37   5.142  -3.963  -3.300
  287    HE2  PHE  37           HE2      PHE  37   0.904  -3.278  -3.492
  288    HZ   PHE  37           HZ       PHE  37   2.837  -4.555  -2.610
  289    H    SER  38           H        SER  38   5.738   0.118  -8.977
  290    HA   SER  38           HA       SER  38   4.347   2.572  -9.674
  291    HB2  SER  38           HB2      SER  38   6.342   2.926 -11.098
  292    HB3  SER  38           HB3      SER  38   6.760   2.518  -9.415
  293    HG   SER  38           HG       SER  38   7.973   1.328 -10.967
  294    H    LYS  39           H        LYS  39   4.329  -0.645 -10.886
  295    HA   LYS  39           HA       LYS  39   3.681   0.061 -13.644
  296    HB2  LYS  39           HB2      LYS  39   3.484  -2.345 -13.948
  297    HB3  LYS  39           HB3      LYS  39   4.951  -1.948 -13.031
  298    HG2  LYS  39           HG2      LYS  39   3.516  -2.332 -10.910
  299    HG3  LYS  39           HG3      LYS  39   2.345  -3.106 -11.991
  300    HD2  LYS  39           HD2      LYS  39   5.284  -3.844 -11.687
  301    HD3  LYS  39           HD3      LYS  39   3.940  -4.728 -10.943
  302    HE2  LYS  39           HE2      LYS  39   4.359  -4.364 -13.939
  303    HE3  LYS  39           HE3      LYS  39   4.762  -5.825 -13.026
  304    HZ1  LYS  39           HZ1      LYS  39   2.442  -6.020 -12.437
  305    HZ2  LYS  39           HZ2      LYS  39   2.065  -4.683 -13.316
  306    HZ3  LYS  39           HZ3      LYS  39   2.630  -6.032 -14.069
  307    H    TYR  40           H        TYR  40   1.922  -0.024 -10.713
  308    HA   TYR  40           HA       TYR  40  -0.651  -0.419 -12.169
  309    HB2  TYR  40           HB2      TYR  40  -0.063  -0.421  -9.196
  310    HB3  TYR  40           HB3      TYR  40  -1.625  -0.756  -9.954
  311    HD1  TYR  40           HD1      TYR  40  -1.828  -2.758 -11.534
  312    HD2  TYR  40           HD2      TYR  40   1.517  -2.146  -8.899
  313    HE1  TYR  40           HE1      TYR  40  -1.175  -5.134 -11.816
  314    HE2  TYR  40           HE2      TYR  40   2.179  -4.520  -9.172
  315    HH   TYR  40           HH       TYR  40   0.325  -6.777 -11.251
  316    H    GLY  41           H        GLY  41   1.395   1.994 -10.757
  317    HA2  GLY  41           HA2      GLY  41  -0.259   4.069 -11.797
  318    HA3  GLY  41           HA3      GLY  41  -0.486   3.973 -10.043
  319    H    LYS  42           H        LYS  42   0.527   6.247 -11.262
  320    HA   LYS  42           HA       LYS  42   3.419   6.323 -11.112
  321    HB2  LYS  42           HB2      LYS  42   2.271   7.848 -12.573
  322    HB3  LYS  42           HB3      LYS  42   1.213   8.408 -11.262
  323    HG2  LYS  42           HG2      LYS  42   3.118   9.431 -10.108
  324    HG3  LYS  42           HG3      LYS  42   4.227   8.845 -11.367
  325    HD2  LYS  42           HD2      LYS  42   3.144  10.215 -13.047
  326    HD3  LYS  42           HD3      LYS  42   1.825  10.640 -11.927
  327    HE2  LYS  42           HE2      LYS  42   3.422  11.776 -10.445
  328    HE3  LYS  42           HE3      LYS  42   4.762  11.338 -11.517
  329    HZ1  LYS  42           HZ1      LYS  42   4.007  13.575 -11.932
  330    HZ2  LYS  42           HZ2      LYS  42   3.722  12.635 -13.249
  331    HZ3  LYS  42           HZ3      LYS  42   2.484  13.053 -12.258
  332    H    ILE  43           H        ILE  43   4.483   6.107  -9.254
  333    HA   ILE  43           HA       ILE  43   3.148   6.653  -6.706
  334    HB   ILE  43           HB       ILE  43   5.896   5.565  -7.409
  335   HG12  ILE  43          HG12      ILE  43   3.352   4.281  -6.322
  336   HG13  ILE  43          HG11      ILE  43   3.936   4.147  -7.993
  337   HG21  ILE  43          HG21      ILE  43   5.922   6.724  -5.204
  338   HG22  ILE  43          HG22      ILE  43   4.518   5.749  -4.699
  339   HG23  ILE  43          HG23      ILE  43   6.087   4.976  -5.026
  340   HD11  ILE  43          HD11      ILE  43   5.378   3.090  -5.525
  341   HD12  ILE  43          HD12      ILE  43   4.496   2.137  -6.723
  342   HD13  ILE  43          HD13      ILE  43   5.973   3.002  -7.207
  343    H    VAL  44           H        VAL  44   3.318   8.443  -5.542
  344    HA   VAL  44           HA       VAL  44   5.318  10.492  -6.364
  345    HB   VAL  44           HB       VAL  44   3.798  12.125  -5.320
  346   HG11  VAL  44          HG11      VAL  44   2.403  10.313  -7.331
  347   HG12  VAL  44          HG12      VAL  44   2.022  12.017  -7.008
  348   HG13  VAL  44          HG13      VAL  44   3.592  11.576  -7.725
  349   HG21  VAL  44          HG21      VAL  44   2.751  10.626  -3.641
  350   HG22  VAL  44          HG22      VAL  44   1.537  11.463  -4.637
  351   HG23  VAL  44          HG23      VAL  44   1.913   9.759  -4.951
  352    H    GLY  45           H        GLY  45   4.677   8.175  -3.993
  353    HA2  GLY  45           HA2      GLY  45   6.909   9.036  -2.406
  354    HA3  GLY  45           HA3      GLY  45   5.379   9.321  -1.556
  355    H    CYS  46           H        CYS  46   7.616   7.371  -1.020
  356    HA   CYS  46           HA       CYS  46   5.885   5.057  -0.540
  357    HB2  CYS  46           HB2      CYS  46   6.830   4.560  -2.773
  358    HB3  CYS  46           HB3      CYS  46   8.471   4.824  -2.144
  359    HG   CYS  46           HG       CYS  46   6.214   2.704  -0.984
  360    H    SER  47           H        SER  47   6.523   3.892   1.262
  361    HA   SER  47           HA       SER  47   9.181   4.358   2.417
  362    HB2  SER  47           HB2      SER  47   7.797   6.217   3.304
  363    HB3  SER  47           HB3      SER  47   6.634   5.030   3.941
  364    HG   SER  47           HG       SER  47   8.233   5.720   5.480
  365    H    VAL  48           H        VAL  48   9.896   2.559   3.403
  366    HA   VAL  48           HA       VAL  48   7.928   0.364   3.860
  367    HB   VAL  48           HB       VAL  48  10.896   0.246   3.234
  368   HG11  VAL  48          HG11      VAL  48  10.326  -1.587   4.755
  369   HG12  VAL  48          HG12      VAL  48   8.890  -1.988   3.784
  370   HG13  VAL  48          HG13      VAL  48  10.521  -2.222   3.113
  371   HG21  VAL  48          HG21      VAL  48   8.409  -0.616   1.701
  372   HG22  VAL  48          HG22      VAL  48   9.441   0.775   1.305
  373   HG23  VAL  48          HG23      VAL  48  10.083  -0.882   1.176
  374    H    HIS  49           H        HIS  49   8.060  -0.841   5.754
  375    HA   HIS  49           HA       HIS  49   9.659   0.297   7.991
  376    HB2  HIS  49           HB2      HIS  49   6.700  -0.403   8.049
  377    HB3  HIS  49           HB3      HIS  49   7.658   0.242   9.387
  378    HD2  HIS  49           HD2      HIS  49   6.177   1.286   5.953
  379    HE1  HIS  49           HE1      HIS  49   7.104   4.873   8.038
  380    HE2  HIS  49           HE2      HIS  49   6.015   3.900   5.951
  381    H    LYS  50           H        LYS  50   8.785  -1.452   9.980
  382    HA   LYS  50           HA       LYS  50   9.806  -4.010   8.935
  383    HB2  LYS  50           HB2      LYS  50   9.073  -3.129  11.750
  384    HB3  LYS  50           HB3      LYS  50   9.797  -4.691  11.311
  385    HG2  LYS  50           HG2      LYS  50  11.749  -3.515  10.336
  386    HG3  LYS  50           HG3      LYS  50  11.052  -1.954  10.825
  387    HD2  LYS  50           HD2      LYS  50  11.090  -2.678  13.193
  388    HD3  LYS  50           HD3      LYS  50  11.787  -4.236  12.704
  389    HE2  LYS  50           HE2      LYS  50  13.740  -3.054  11.733
  390    HE3  LYS  50           HE3      LYS  50  13.051  -1.501  12.246
  391    HZ1  LYS  50           HZ1      LYS  50  14.672  -2.312  13.802
  392    HZ2  LYS  50           HZ2      LYS  50  13.188  -2.266  14.513
  393    HZ3  LYS  50           HZ3      LYS  50  13.824  -3.704  14.042
  394    H    GLY  51           H        GLY  51   8.523  -5.495   8.132
  395    HA2  GLY  51           HA2      GLY  51   6.811  -7.034   8.065
  396    HA3  GLY  51           HA3      GLY  51   6.055  -6.257   9.461
  397    H    PHE  52           H        PHE  52   6.441  -3.626   7.536
  398    HA   PHE  52           HA       PHE  52   4.303  -4.215   5.619
  399    HB2  PHE  52           HB2      PHE  52   2.789  -2.529   6.446
  400    HB3  PHE  52           HB3      PHE  52   3.060  -3.754   7.686
  401    HD1  PHE  52           HD1      PHE  52   4.418  -3.242   9.695
  402    HD2  PHE  52           HD2      PHE  52   3.469  -0.225   6.777
  403    HE1  PHE  52           HE1      PHE  52   5.055  -1.478  11.309
  404    HE2  PHE  52           HE2      PHE  52   4.102   1.534   8.389
  405    HZ   PHE  52           HZ       PHE  52   4.905   0.915  10.657
  406    H    ALA  53           H        ALA  53   3.735  -2.198   4.343
  407    HA   ALA  53           HA       ALA  53   5.782  -0.075   4.324
  408    HB1  ALA  53           HB1      ALA  53   6.155  -0.385   1.890
  409    HB2  ALA  53           HB2      ALA  53   6.727  -1.774   2.847
  410    HB3  ALA  53           HB3      ALA  53   5.198  -1.882   1.946
  411    H    PHE  54           H        PHE  54   5.155   1.578   2.564
  412    HA   PHE  54           HA       PHE  54   2.230   1.720   2.087
  413    HB2  PHE  54           HB2      PHE  54   3.940   3.614   3.687
  414    HB3  PHE  54           HB3      PHE  54   2.658   4.274   2.686
  415    HD1  PHE  54           HD1      PHE  54   0.296   3.389   2.945
  416    HD2  PHE  54           HD2      PHE  54   3.393   2.720   5.856
  417    HE1  PHE  54           HE1      PHE  54  -1.426   2.948   4.682
  418    HE2  PHE  54           HE2      PHE  54   1.675   2.239   7.569
  419    HZ   PHE  54           HZ       PHE  54  -0.740   2.367   6.980
  420    H    VAL  55           H        VAL  55   1.643   2.876   0.283
  421    HA   VAL  55           HA       VAL  55   3.771   4.102  -1.395
  422    HB   VAL  55           HB       VAL  55   1.728   2.022  -2.295
  423   HG11  VAL  55          HG11      VAL  55   3.723   3.672  -3.902
  424   HG12  VAL  55          HG12      VAL  55   2.749   2.324  -4.535
  425   HG13  VAL  55          HG13      VAL  55   1.950   3.807  -3.988
  426   HG21  VAL  55          HG21      VAL  55   4.767   2.052  -2.332
  427   HG22  VAL  55          HG22      VAL  55   3.756   1.066  -1.241
  428   HG23  VAL  55          HG23      VAL  55   3.727   0.761  -2.990
  429    H    GLN  56           H        GLN  56   3.126   5.949  -2.375
  430    HA   GLN  56           HA       GLN  56   0.269   6.721  -2.014
  431    HB2  GLN  56           HB2      GLN  56   1.980   7.959  -0.629
  432    HB3  GLN  56           HB3      GLN  56   2.767   8.463  -2.126
  433    HG2  GLN  56           HG2      GLN  56   1.407  10.292  -1.453
  434    HG3  GLN  56           HG3      GLN  56   0.563   9.543  -2.812
  435   HE21  GLN  56          HE21      GLN  56  -1.597   9.564  -2.467
  436   HE22  GLN  56          HE22      GLN  56  -2.383   9.269  -0.922
  437    H    TYR  57           H        TYR  57  -0.865   7.199  -3.805
  438    HA   TYR  57           HA       TYR  57   0.603   7.452  -6.387
  439    HB2  TYR  57           HB2      TYR  57  -2.199   6.470  -5.744
  440    HB3  TYR  57           HB3      TYR  57  -1.590   6.774  -7.372
  441    HD1  TYR  57           HD1      TYR  57   0.873   5.652  -7.752
  442    HD2  TYR  57           HD2      TYR  57  -2.240   4.211  -5.157
  443    HE1  TYR  57           HE1      TYR  57   1.816   3.359  -7.901
  444    HE2  TYR  57           HE2      TYR  57  -1.280   1.919  -5.286
  445    HH   TYR  57           HH       TYR  57   1.583   1.177  -7.291
  446    H    VAL  58           H        VAL  58  -0.804   8.715  -8.047
  447    HA   VAL  58           HA       VAL  58  -1.152  11.392  -7.033
  448    HB   VAL  58           HB       VAL  58  -1.752  10.048  -9.699
  449   HG11  VAL  58          HG11      VAL  58  -1.900  12.999  -8.945
  450   HG12  VAL  58          HG12      VAL  58  -1.961  12.363 -10.605
  451   HG13  VAL  58          HG13      VAL  58  -3.257  11.972  -9.462
  452   HG21  VAL  58          HG21      VAL  58   0.636  10.241  -9.095
  453   HG22  VAL  58          HG22      VAL  58   0.219  11.332 -10.438
  454   HG23  VAL  58          HG23      VAL  58   0.427  11.982  -8.800
  455    H    ASN  59           H        ASN  59  -3.345   8.651  -7.718
  456    HA   ASN  59           HA       ASN  59  -5.403  10.068  -6.228
  457    HB2  ASN  59           HB2      ASN  59  -6.987  10.363  -7.842
  458    HB3  ASN  59           HB3      ASN  59  -5.511  10.750  -8.752
  459   HD21  ASN  59          HD21      ASN  59  -4.520   8.503  -9.740
  460   HD22  ASN  59          HD22      ASN  59  -5.721   7.591 -10.626
  461    H    GLU  60           H        GLU  60  -7.416   8.717  -5.974
  462    HA   GLU  60           HA       GLU  60  -6.783   6.216  -4.868
  463    HB2  GLU  60           HB2      GLU  60  -8.672   7.577  -4.196
  464    HB3  GLU  60           HB3      GLU  60  -9.414   7.402  -5.799
  465    HG2  GLU  60           HG2      GLU  60  -9.698   5.001  -5.451
  466    HG3  GLU  60           HG3      GLU  60  -8.817   5.086  -3.914
  467    H    ARG  61           H        ARG  61  -7.779   6.974  -8.233
  468    HA   ARG  61           HA       ARG  61  -8.643   4.355  -8.930
  469    HB2  ARG  61           HB2      ARG  61  -9.070   6.211 -10.387
  470    HB3  ARG  61           HB3      ARG  61  -7.344   6.602 -10.499
  471    HG2  ARG  61           HG2      ARG  61  -8.237   5.518 -12.538
  472    HG3  ARG  61           HG3      ARG  61  -6.875   4.654 -11.807
  473    HD2  ARG  61           HD2      ARG  61  -8.353   2.998 -10.839
  474    HD3  ARG  61           HD3      ARG  61  -9.786   3.948 -11.286
  475    HE   ARG  61           HE       ARG  61  -9.686   3.089 -13.425
  476   HH11  ARG  61          HH11      ARG  61  -6.623   2.435 -11.787
  477   HH12  ARG  61          HH12      ARG  61  -5.994   1.453 -13.094
  478   HH21  ARG  61          HH21      ARG  61  -8.848   1.785 -15.112
  479   HH22  ARG  61          HH22      ARG  61  -7.268   1.062 -14.951
  480    H    ASN  62           H        ASN  62  -5.387   5.817  -8.754
  481    HA   ASN  62           HA       ASN  62  -4.101   3.472  -9.882
  482    HB2  ASN  62           HB2      ASN  62  -3.185   5.961  -8.414
  483    HB3  ASN  62           HB3      ASN  62  -2.055   4.661  -8.868
  484   HD21  ASN  62          HD21      ASN  62  -2.670   3.861 -11.307
  485   HD22  ASN  62          HD22      ASN  62  -2.691   5.180 -12.461
  486    H    ALA  63           H        ALA  63  -5.181   4.419  -6.689
  487    HA   ALA  63           HA       ALA  63  -3.533   2.466  -5.281
  488    HB1  ALA  63           HB1      ALA  63  -6.042   3.980  -4.427
  489    HB2  ALA  63           HB2      ALA  63  -4.952   3.088  -3.351
  490    HB3  ALA  63           HB3      ALA  63  -4.362   4.535  -4.192
  491    H    ARG  64           H        ARG  64  -6.821   2.590  -6.627
  492    HA   ARG  64           HA       ARG  64  -7.663   0.047  -5.542
  493    HB2  ARG  64           HB2      ARG  64  -8.595   1.670  -7.949
  494    HB3  ARG  64           HB3      ARG  64  -9.437   0.248  -7.326
  495    HG2  ARG  64           HG2      ARG  64  -8.908   2.764  -5.681
  496    HG3  ARG  64           HG3      ARG  64 -10.401   2.445  -6.572
  497    HD2  ARG  64           HD2      ARG  64 -10.782   0.414  -5.240
  498    HD3  ARG  64           HD3      ARG  64  -9.265   0.700  -4.353
  499    HE   ARG  64           HE       ARG  64 -10.633   3.052  -4.008
  500   HH11  ARG  64          HH11      ARG  64 -11.476  -0.336  -3.423
  501   HH12  ARG  64          HH12      ARG  64 -12.550   0.059  -2.096
  502   HH21  ARG  64          HH21      ARG  64 -12.010   3.516  -2.315
  503   HH22  ARG  64          HH22      ARG  64 -12.856   2.241  -1.461
  504    H    ALA  65           H        ALA  65  -5.731   1.014  -8.333
  505    HA   ALA  65           HA       ALA  65  -6.041  -1.562  -9.666
  506    HB1  ALA  65           HB1      ALA  65  -4.046   0.703 -10.084
  507    HB2  ALA  65           HB2      ALA  65  -4.352  -0.647 -11.203
  508    HB3  ALA  65           HB3      ALA  65  -5.628   0.553 -10.881
  509    H    ALA  66           H        ALA  66  -3.717  -0.084  -7.383
  510    HA   ALA  66           HA       ALA  66  -1.830  -2.284  -7.693
  511    HB1  ALA  66           HB1      ALA  66  -1.174   0.026  -7.164
  512    HB2  ALA  66           HB2      ALA  66  -2.042  -0.084  -5.612
  513    HB3  ALA  66           HB3      ALA  66  -0.630  -1.125  -5.913
  514    H    VAL  67           H        VAL  67  -4.432  -1.377  -5.414
  515    HA   VAL  67           HA       VAL  67  -3.938  -3.475  -3.519
  516    HB   VAL  67           HB       VAL  67  -6.368  -1.832  -4.283
  517   HG11  VAL  67          HG11      VAL  67  -6.055  -3.819  -1.996
  518   HG12  VAL  67          HG12      VAL  67  -7.373  -2.628  -2.139
  519   HG13  VAL  67          HG13      VAL  67  -7.223  -3.918  -3.340
  520   HG21  VAL  67          HG21      VAL  67  -4.378  -0.721  -3.174
  521   HG22  VAL  67          HG22      VAL  67  -5.864  -0.640  -2.209
  522   HG23  VAL  67          HG23      VAL  67  -4.601  -1.821  -1.797
  523    H    ALA  68           H        ALA  68  -5.726  -3.321  -6.614
  524    HA   ALA  68           HA       ALA  68  -6.682  -6.081  -6.207
  525    HB1  ALA  68           HB1      ALA  68  -7.026  -4.146  -8.537
  526    HB2  ALA  68           HB2      ALA  68  -7.849  -5.706  -8.347
  527    HB3  ALA  68           HB3      ALA  68  -8.177  -4.381  -7.202
  528    H    GLY  69           H        GLY  69  -3.840  -4.603  -7.353
  529    HA2  GLY  69           HA2      GLY  69  -3.320  -6.748  -9.346
  530    HA3  GLY  69           HA3      GLY  69  -2.484  -5.193  -9.210
  531    H    GLU  70           H        GLU  70  -2.554  -5.988  -6.057
  532    HA   GLU  70           HA       GLU  70  -0.116  -7.721  -6.196
  533    HB2  GLU  70           HB2      GLU  70  -0.419  -4.986  -4.939
  534    HB3  GLU  70           HB3      GLU  70   0.845  -6.121  -4.451
  535    HG2  GLU  70           HG2      GLU  70   0.469  -5.280  -7.343
  536    HG3  GLU  70           HG3      GLU  70   1.499  -4.391  -6.215
  537    H    ASP  71           H        ASP  71  -3.049  -6.751  -4.435
  538    HA   ASP  71           HA       ASP  71  -2.301  -7.852  -1.918
  539    HB2  ASP  71           HB2      ASP  71  -4.276  -6.424  -2.261
  540    HB3  ASP  71           HB3      ASP  71  -5.017  -7.680  -3.267
  541    H    GLY  72           H        GLY  72  -1.657  -9.888  -1.485
  542    HA2  GLY  72           HA2      GLY  72  -1.962 -12.211  -1.310
  543    HA3  GLY  72           HA3      GLY  72  -3.209 -12.143  -2.572
  544    H    ARG  73           H        ARG  73  -0.464 -10.337  -3.501
  545    HA   ARG  73           HA       ARG  73   0.497 -12.402  -5.326
  546    HB2  ARG  73           HB2      ARG  73   1.901 -10.744  -6.202
  547    HB3  ARG  73           HB3      ARG  73   0.414  -9.894  -5.772
  548    HG2  ARG  73           HG2      ARG  73   1.775  -8.448  -4.661
  549    HG3  ARG  73           HG3      ARG  73   1.893  -9.712  -3.422
  550    HD2  ARG  73           HD2      ARG  73   4.128  -9.009  -4.043
  551    HD3  ARG  73           HD3      ARG  73   3.890 -10.634  -4.719
  552    HE   ARG  73           HE       ARG  73   3.348  -8.235  -6.388
  553   HH11  ARG  73          HH11      ARG  73   5.348 -11.133  -5.855
  554   HH12  ARG  73          HH12      ARG  73   6.063 -11.031  -7.439
  555   HH21  ARG  73          HH21      ARG  73   4.294  -8.155  -8.392
  556   HH22  ARG  73          HH22      ARG  73   5.480  -9.347  -8.879
  557    H    MET  74           H        MET  74   3.017 -12.818  -5.227
  558    HA   MET  74           HA       MET  74   3.621 -13.409  -2.355
  559    HB2  MET  74           HB2      MET  74   3.042 -15.370  -3.749
  560    HB3  MET  74           HB3      MET  74   4.434 -15.025  -4.793
  561    HG2  MET  74           HG2      MET  74   5.991 -15.464  -3.075
  562    HG3  MET  74           HG3      MET  74   4.784 -15.257  -1.798
  563    HE1  MET  74           HE1      MET  74   3.132 -16.939  -0.968
  564    HE2  MET  74           HE2      MET  74   2.324 -16.874  -2.543
  565    HE3  MET  74           HE3      MET  74   2.689 -18.447  -1.799
  566    H    ILE  75           H        ILE  75   5.261 -12.325  -1.561
  567    HA   ILE  75           HA       ILE  75   7.481 -11.586  -3.397
  568    HB   ILE  75           HB       ILE  75   5.649  -9.843  -1.988
  569   HG12  ILE  75          HG12      ILE  75   8.007  -9.400  -3.855
  570   HG13  ILE  75          HG11      ILE  75   6.340  -9.755  -4.340
  571   HG21  ILE  75          HG21      ILE  75   8.593  -9.437  -1.336
  572   HG22  ILE  75          HG22      ILE  75   7.265  -8.294  -0.994
  573   HG23  ILE  75          HG23      ILE  75   7.311  -9.857  -0.172
  574   HD11  ILE  75          HD11      ILE  75   5.587  -7.626  -3.298
  575   HD12  ILE  75          HD12      ILE  75   7.272  -7.262  -2.851
  576   HD13  ILE  75          HD13      ILE  75   6.799  -7.366  -4.558
  577    H    ALA  76           H        ALA  76   9.512 -11.842  -2.637
  578    HA   ALA  76           HA       ALA  76  11.108 -12.950  -1.500
  579    HB1  ALA  76           HB1      ALA  76   9.687 -11.909   0.963
  580    HB2  ALA  76           HB2      ALA  76  11.391 -12.405   0.828
  581    HB3  ALA  76           HB3      ALA  76  10.810 -10.962  -0.047
  582    H    GLY  77           H        GLY  77   8.398 -14.325  -2.003
  583    HA2  GLY  77           HA2      GLY  77   7.915 -16.592  -1.861
  584    HA3  GLY  77           HA3      GLY  77   9.069 -16.758  -0.518
  585    H    GLN  78           H        GLN  78   7.102 -14.057   0.102
  586    HA   GLN  78           HA       GLN  78   5.141 -15.701   1.610
  587    HB2  GLN  78           HB2      GLN  78   6.827 -14.973   3.140
  588    HB3  GLN  78           HB3      GLN  78   6.820 -13.339   2.479
  589    HG2  GLN  78           HG2      GLN  78   4.138 -14.007   3.381
  590    HG3  GLN  78           HG3      GLN  78   5.310 -14.351   4.662
  591   HE21  GLN  78          HE21      GLN  78   5.021 -11.837   2.076
  592   HE22  GLN  78          HE22      GLN  78   5.193 -10.476   3.167
  593    H    VAL  79           H        VAL  79   3.065 -15.103   1.485
  594    HA   VAL  79           HA       VAL  79   2.127 -13.389  -0.592
  595    HB   VAL  79           HB       VAL  79   0.727 -14.528   1.865
  596   HG11  VAL  79          HG11      VAL  79  -0.353 -13.485  -0.775
  597   HG12  VAL  79          HG12      VAL  79  -1.319 -14.338   0.455
  598   HG13  VAL  79          HG13      VAL  79  -0.606 -12.761   0.836
  599   HG21  VAL  79          HG21      VAL  79   1.750 -16.303   0.530
  600   HG22  VAL  79          HG22      VAL  79  -0.008 -16.315   0.307
  601   HG23  VAL  79          HG23      VAL  79   1.033 -15.622  -0.959
  602    H    LEU  80           H        LEU  80   1.352 -11.320  -0.612
  603    HA   LEU  80           HA       LEU  80   1.798  -9.724   1.849
  604    HB2  LEU  80           HB2      LEU  80   1.132  -8.754  -0.950
  605    HB3  LEU  80           HB3      LEU  80   1.639  -7.781   0.435
  606    HG   LEU  80           HG       LEU  80   3.318  -9.825  -1.079
  607   HD11  LEU  80          HD11      LEU  80   3.492  -6.819  -0.629
  608   HD12  LEU  80          HD12      LEU  80   4.730  -7.796  -1.449
  609   HD13  LEU  80          HD13      LEU  80   3.099  -7.638  -2.160
  610   HD21  LEU  80          HD21      LEU  80   3.842  -9.988   1.325
  611   HD22  LEU  80          HD22      LEU  80   5.145  -9.156   0.455
  612   HD23  LEU  80          HD23      LEU  80   3.974  -8.214   1.419
  613    H    ASP  81           H        ASP  81   0.231  -8.203   2.592
  614    HA   ASP  81           HA       ASP  81  -2.569  -8.781   1.742
  615    HB2  ASP  81           HB2      ASP  81  -2.064  -9.702   4.005
  616    HB3  ASP  81           HB3      ASP  81  -1.603  -8.079   4.540
  617    H    ILE  82           H        ILE  82  -3.082  -7.086   0.484
  618    HA   ILE  82           HA       ILE  82  -2.037  -4.392   1.256
  619    HB   ILE  82           HB       ILE  82  -2.339  -5.701  -1.447
  620   HG12  ILE  82          HG12      ILE  82   0.110  -4.495  -0.116
  621   HG13  ILE  82          HG11      ILE  82  -0.345  -6.180   0.182
  622   HG21  ILE  82          HG21      ILE  82  -1.495  -2.860  -0.734
  623   HG22  ILE  82          HG22      ILE  82  -1.428  -3.584  -2.359
  624   HG23  ILE  82          HG23      ILE  82  -2.995  -3.314  -1.582
  625   HD11  ILE  82          HD11      ILE  82  -0.245  -6.723  -2.149
  626   HD12  ILE  82          HD12      ILE  82   0.157  -5.031  -2.575
  627   HD13  ILE  82          HD13      ILE  82   1.302  -6.022  -1.627
  628    H    ASN  83           H        ASN  83  -3.431  -2.680   1.209
  629    HA   ASN  83           HA       ASN  83  -6.044  -2.801  -0.062
  630    HB2  ASN  83           HB2      ASN  83  -7.283  -2.458   2.093
  631    HB3  ASN  83           HB3      ASN  83  -6.622  -4.081   1.885
  632   HD21  ASN  83          HD21      ASN  83  -6.054  -0.931   3.531
  633   HD22  ASN  83          HD22      ASN  83  -5.143  -1.612   4.849
  634    H    LEU  84           H        LEU  84  -7.299  -0.703   0.468
  635    HA   LEU  84           HA       LEU  84  -5.628   1.585   0.131
  636    HB2  LEU  84           HB2      LEU  84  -8.470   1.359   1.195
  637    HB3  LEU  84           HB3      LEU  84  -7.673   2.867   0.770
  638    HG   LEU  84           HG       LEU  84  -9.131   2.331  -0.998
  639   HD11  LEU  84          HD11      LEU  84  -6.321   1.577  -1.887
  640   HD12  LEU  84          HD12      LEU  84  -7.627   2.232  -2.906
  641   HD13  LEU  84          HD13      LEU  84  -6.918   3.232  -1.615
  642   HD21  LEU  84          HD21      LEU  84  -9.371  -0.103  -0.557
  643   HD22  LEU  84          HD22      LEU  84  -9.116   0.274  -2.269
  644   HD23  LEU  84          HD23      LEU  84  -7.776  -0.378  -1.306
  645    H    ALA  85           H        ALA  85  -5.040   3.241   1.610
  646    HA   ALA  85           HA       ALA  85  -4.466   2.322   4.275
  647    HB1  ALA  85           HB1      ALA  85  -4.277   5.107   3.069
  648    HB2  ALA  85           HB2      ALA  85  -3.514   4.561   4.575
  649    HB3  ALA  85           HB3      ALA  85  -3.001   3.862   3.020
  650    H    ALA  86           H        ALA  86  -7.413   3.068   3.102
  651    HA   ALA  86           HA       ALA  86  -8.341   4.105   5.724
  652    HB1  ALA  86           HB1      ALA  86  -9.831   5.686   4.537
  653    HB2  ALA  86           HB2      ALA  86  -8.128   5.998   4.118
  654    HB3  ALA  86           HB3      ALA  86  -9.169   5.136   2.973
  655    H    GLU  87           H        GLU  87  -8.584   1.725   3.352
  656    HA   GLU  87           HA       GLU  87 -11.227   0.892   4.403
  657    HB2  GLU  87           HB2      GLU  87 -10.477   0.986   1.453
  658    HB3  GLU  87           HB3      GLU  87 -11.896   0.177   2.120
  659    HG2  GLU  87           HG2      GLU  87 -11.305   3.158   2.341
  660    HG3  GLU  87           HG3      GLU  87 -12.394   2.410   1.173
  661    HA   PRO  88           HA       PRO  88  -7.954  -2.416   4.454
  662    HB2  PRO  88           HB2      PRO  88  -8.324  -3.170   7.084
  663    HB3  PRO  88           HB3      PRO  88  -7.238  -1.855   6.570
  664    HG2  PRO  88           HG2      PRO  88 -10.090  -1.616   7.558
  665    HG3  PRO  88           HG3      PRO  88  -8.653  -0.667   8.080
  666    HD2  PRO  88           HD2      PRO  88 -10.410   0.293   6.256
  667    HD3  PRO  88           HD3      PRO  88  -8.654   0.601   6.086
  668    H    LYS  89           H        LYS  89  -8.484  -4.650   4.215
  669    HA   LYS  89           HA       LYS  89 -11.025  -5.001   3.064
  670    HB2  LYS  89           HB2      LYS  89 -10.405  -7.490   3.204
  671    HB3  LYS  89           HB3      LYS  89  -9.394  -6.415   2.224
  672    HG2  LYS  89           HG2      LYS  89  -7.636  -6.408   3.832
  673    HG3  LYS  89           HG3      LYS  89  -8.683  -7.070   5.106
  674    HD2  LYS  89           HD2      LYS  89  -7.151  -8.781   4.231
  675    HD3  LYS  89           HD3      LYS  89  -8.854  -9.187   3.980
  676    HE2  LYS  89           HE2      LYS  89  -7.618  -9.758   1.973
  677    HE3  LYS  89           HE3      LYS  89  -8.677  -8.391   1.614
  678    HZ1  LYS  89           HZ1      LYS  89  -6.771  -6.943   1.862
  679    HZ2  LYS  89           HZ2      LYS  89  -5.808  -8.229   2.236
  680    HZ3  LYS  89           HZ3      LYS  89  -6.463  -8.098   0.738
  681    H    VAL  90           H        VAL  90  -9.897  -6.463   6.179
  682    HA   VAL  90           HA       VAL  90 -12.644  -6.271   7.176
  683    HB   VAL  90           HB       VAL  90 -12.697  -8.285   5.808
  684   HG11  VAL  90          HG11      VAL  90 -11.406 -10.295   6.352
  685   HG12  VAL  90          HG12      VAL  90 -10.361  -8.964   5.833
  686   HG13  VAL  90          HG13      VAL  90 -10.467  -9.386   7.554
  687   HG21  VAL  90          HG21      VAL  90 -13.523  -9.861   7.521
  688   HG22  VAL  90          HG22      VAL  90 -12.726  -8.916   8.793
  689   HG23  VAL  90          HG23      VAL  90 -14.060  -8.205   7.860
  690    H    ASN  91           H        ASN  91  -9.327  -7.468   7.598
  691    HA   ASN  91           HA       ASN  91  -9.459  -6.541  10.398
  692    HB2  ASN  91           HB2      ASN  91  -8.362  -9.236   9.497
  693    HB3  ASN  91           HB3      ASN  91  -8.129  -8.546  11.107
  694   HD21  ASN  91          HD21      ASN  91 -10.229 -10.314   9.038
  695   HD22  ASN  91          HD22      ASN  91 -11.573 -10.478  10.156
  696    H    ARG  92           H        ARG  92  -7.279  -6.217  11.337
  697    HA   ARG  92           HA       ARG  92  -5.255  -5.438   9.292
  698    HB2  ARG  92           HB2      ARG  92  -5.885  -3.694  10.852
  699    HB3  ARG  92           HB3      ARG  92  -5.637  -4.777  12.239
  700    HG2  ARG  92           HG2      ARG  92  -3.242  -4.940  11.728
  701    HG3  ARG  92           HG3      ARG  92  -3.464  -3.937  10.274
  702    HD2  ARG  92           HD2      ARG  92  -2.554  -2.617  12.125
  703    HD3  ARG  92           HD3      ARG  92  -4.172  -2.053  11.669
  704    HE   ARG  92           HE       ARG  92  -5.076  -3.021  13.667
  705   HH11  ARG  92          HH11      ARG  92  -1.528  -3.193  13.534
  706   HH12  ARG  92          HH12      ARG  92  -1.386  -3.534  15.238
  707   HH21  ARG  92          HH21      ARG  92  -4.829  -3.438  15.877
  708   HH22  ARG  92          HH22      ARG  92  -3.233  -3.633  16.561
  709    H    GLY  93           H        GLY  93  -5.658  -7.317  12.316
  710    HA2  GLY  93           HA2      GLY  93  -4.545  -9.124  13.136
  711    HA3  GLY  93           HA3      GLY  93  -4.145  -9.511  11.452
  712    H    LYS  94           H        LYS  94  -2.207 -10.390  12.302
  713    HA   LYS  94           HA       LYS  94  -0.040  -8.361  12.468
  714    HB2  LYS  94           HB2      LYS  94  -0.715  -9.078  14.771
  715    HB3  LYS  94           HB3      LYS  94  -0.276 -10.750  14.327
  716    HG2  LYS  94           HG2      LYS  94   2.014 -10.089  13.892
  717    HG3  LYS  94           HG3      LYS  94   1.596  -8.367  14.064
  718    HD2  LYS  94           HD2      LYS  94   2.709  -9.181  16.094
  719    HD3  LYS  94           HD3      LYS  94   1.024  -8.730  16.433
  720    HE2  LYS  94           HE2      LYS  94   0.359 -11.108  16.296
  721    HE3  LYS  94           HE3      LYS  94   2.031 -11.563  15.921
  722    HZ1  LYS  94           HZ1      LYS  94   1.527 -11.865  18.245
  723    HZ2  LYS  94           HZ2      LYS  94   2.673 -10.703  18.076
  724    HZ3  LYS  94           HZ3      LYS  94   1.117 -10.287  18.417
  725    H    ALA  95           H        ALA  95  -1.154 -11.672  11.781
  726    HA   ALA  95           HA       ALA  95   1.006 -11.974   9.824
  727    HB1  ALA  95           HB1      ALA  95   0.662 -13.881  12.179
  728    HB2  ALA  95           HB2      ALA  95   1.748 -14.129  10.785
  729    HB3  ALA  95           HB3      ALA  95   2.037 -12.792  11.922
  730    H    GLY  96           H        GLY  96   0.445 -13.350   8.165
  731    HA2  GLY  96           HA2      GLY  96  -2.347 -14.200   8.012
  732    HA3  GLY  96           HA3      GLY  96  -1.110 -14.294   6.740
  733    H    VAL  97           H        VAL  97   0.601 -15.610   9.090
  734    HA   VAL  97           HA       VAL  97  -0.384 -18.363   8.547
  735    HB   VAL  97           HB       VAL  97   2.339 -17.405   9.510
  736   HG11  VAL  97          HG11      VAL  97   1.315 -20.150   8.647
  737   HG12  VAL  97          HG12      VAL  97   3.013 -19.747   8.998
  738   HG13  VAL  97          HG13      VAL  97   1.803 -19.684  10.295
  739   HG21  VAL  97          HG21      VAL  97   1.904 -16.756   7.179
  740   HG22  VAL  97          HG22      VAL  97   3.081 -18.079   7.248
  741   HG23  VAL  97          HG23      VAL  97   1.389 -18.418   6.798
  742    H    LYS  98           H        LYS  98  -1.225 -19.567  10.164
  743    HA   LYS  98           HA       LYS  98  -0.947 -18.544  12.939
  744    HB2  LYS  98           HB2      LYS  98  -3.487 -19.438  11.524
  745    HB3  LYS  98           HB3      LYS  98  -3.378 -18.977  13.236
  746    HG2  LYS  98           HG2      LYS  98  -2.765 -16.704  12.667
  747    HG3  LYS  98           HG3      LYS  98  -2.562 -17.121  10.949
  748    HD2  LYS  98           HD2      LYS  98  -4.938 -17.711  10.783
  749    HD3  LYS  98           HD3      LYS  98  -5.190 -17.183  12.463
  750    HE2  LYS  98           HE2      LYS  98  -4.094 -15.454  10.193
  751    HE3  LYS  98           HE3      LYS  98  -5.767 -15.420  10.769
  752    HZ1  LYS  98           HZ1      LYS  98  -4.948 -14.737  12.919
  753    HZ2  LYS  98           HZ2      LYS  98  -3.394 -14.744  12.369
  754    HZ3  LYS  98           HZ3      LYS  98  -4.474 -13.677  11.752
  755    H    ARG  99           H        ARG  99   0.060 -20.917  11.168
  756    HA   ARG  99           HA       ARG  99  -0.522 -23.078  13.149
  757    HB2  ARG  99           HB2      ARG  99  -0.387 -23.070  10.152
  758    HB3  ARG  99           HB3      ARG  99   0.398 -24.414  10.986
  759    HG2  ARG  99           HG2      ARG  99  -1.852 -25.084  10.510
  760    HG3  ARG  99           HG3      ARG  99  -1.667 -24.869  12.258
  761    HD2  ARG  99           HD2      ARG  99  -3.799 -23.954  11.519
  762    HD3  ARG  99           HD3      ARG  99  -2.759 -22.649  12.100
  763    HE   ARG  99           HE       ARG  99  -2.335 -22.861   9.315
  764   HH11  ARG  99          HH11      ARG  99  -4.981 -22.071  11.516
  765   HH12  ARG  99          HH12      ARG  99  -5.782 -21.023  10.367
  766   HH21  ARG  99          HH21      ARG  99  -3.401 -21.494   7.830
  767   HH22  ARG  99          HH22      ARG  99  -4.892 -20.703   8.287
  768    H    SER 100           H        SER 100   1.321 -24.713  13.168
  769    HA   SER 100           HA       SER 100   3.729 -23.325  13.907
  770    HB2  SER 100           HB2      SER 100   2.763 -25.471  14.900
  771    HB3  SER 100           HB3      SER 100   3.342 -26.303  13.446
  772    HG   SER 100           HG       SER 100   4.866 -26.359  15.170
  773    H    ALA 101           H        ALA 101   2.493 -24.363  10.929
  774    HA   ALA 101           HA       ALA 101   3.288 -24.823   8.882
  775    HB1  ALA 101           HB1      ALA 101   5.620 -23.094   9.761
  776    HB2  ALA 101           HB2      ALA 101   5.146 -23.459   8.085
  777    HB3  ALA 101           HB3      ALA 101   4.066 -22.506   9.134
  778    H    ALA 102           H        ALA 102   4.458 -26.415  11.390
  779    HA   ALA 102           HA       ALA 102   6.010 -28.242   9.682
  780    HB1  ALA 102           HB1      ALA 102   7.078 -27.107  12.299
  781    HB2  ALA 102           HB2      ALA 102   7.852 -28.373  11.317
  782    HB3  ALA 102           HB3      ALA 102   7.695 -26.720  10.677
  783    H    GLU 103           H        GLU 103   3.432 -27.855  11.624
  784    HA   GLU 103           HA       GLU 103   3.838 -29.945  13.574
  785    HB2  GLU 103           HB2      GLU 103   1.454 -29.585  14.070
  786    HB3  GLU 103           HB3      GLU 103   2.380 -28.075  14.038
  787    HG2  GLU 103           HG2      GLU 103   1.587 -27.714  11.664
  788    HG3  GLU 103           HG3      GLU 103   0.542 -29.133  11.860
  789    H    MET 104           H        MET 104   3.271 -30.054  10.239
  790    HA   MET 104           HA       MET 104   1.758 -32.584  10.347
  791    HB2  MET 104           HB2      MET 104   2.818 -30.986   7.981
  792    HB3  MET 104           HB3      MET 104   1.811 -32.435   7.893
  793    HG2  MET 104           HG2      MET 104   0.300 -30.664   7.611
  794    HG3  MET 104           HG3      MET 104   0.078 -31.217   9.272
  795    HE1  MET 104           HE1      MET 104   2.178 -27.269   8.029
  796    HE2  MET 104           HE2      MET 104   2.948 -28.855   7.804
  797    HE3  MET 104           HE3      MET 104   1.474 -28.442   6.890
  798    H    TYR 105           H        TYR 105   4.884 -31.805  10.948
  799    HA   TYR 105           HA       TYR 105   5.910 -34.328   9.753
  800    HB2  TYR 105           HB2      TYR 105   7.437 -31.716   9.853
  801    HB3  TYR 105           HB3      TYR 105   7.940 -33.225   9.078
  802    HD1  TYR 105           HD1      TYR 105   6.887 -33.940   6.940
  803    HD2  TYR 105           HD2      TYR 105   5.877 -30.218   8.831
  804    HE1  TYR 105           HE1      TYR 105   5.822 -33.170   4.835
  805    HE2  TYR 105           HE2      TYR 105   4.800 -29.431   6.733
  806    HH   TYR 105           HH       TYR 105   4.697 -31.466   3.784
  807    H    GLY 106           H        GLY 106   5.179 -32.812  12.551
  808    HA2  GLY 106           HA2      GLY 106   7.574 -33.032  14.108
  809    HA3  GLY 106           HA3      GLY 106   5.914 -32.916  14.722
  810    H5'    U   1           H5'        U   1   3.466  -6.686  11.378
  811   H5''    U   1          H5''        U   1   2.039  -7.551  10.792
  812    H4'    U   1           H4'        U   1   3.240  -5.020   9.584
  813    H3'    U   1           H3'        U   1   1.785  -5.179  11.866
  814    H2'    U   1           H2'        U   1  -0.015  -6.465  11.025
  815   HO2'    U   1          HO2'        U   1  -0.685  -4.103  11.551
  816    H1'    U   1           H1'        U   1  -0.146  -4.879   8.489
  817    H3     U   1           H3         U   1  -3.128  -7.756   6.737
  818    H5     U   1           H5         U   1  -0.734 -10.248   9.132
  819    H6     U   1           H6         U   1   0.576  -8.304   9.733
  820    H5'    U   2           H5'        U   2  -0.826  -1.103  10.706
  821   H5''    U   2          H5''        U   2   0.362  -1.203   9.386
  822    H4'    U   2           H4'        U   2   1.068   1.188  10.056
  823    H3'    U   2           H3'        U   2  -0.540   0.852  12.264
  824    H2'    U   2           H2'        U   2  -2.487   0.333  10.955
  825   HO2'    U   2          HO2'        U   2  -3.013   2.007  12.460
  826    H1'    U   2           H1'        U   2  -1.782   2.779   9.320
  827    H3     U   2           H3         U   2  -5.158   2.618   6.422
  828    H5     U   2           H5         U   2  -4.982  -1.345   7.785
  829    H6     U   2           H6         U   2  -3.104  -0.731   9.183
  830    H5'    U   3           H5'        U   3   2.732   2.097  10.493
  831   H5''    U   3          H5''        U   3   3.682   2.604  11.899
  832    H4'    U   3           H4'        U   3   5.004   3.173  10.039
  833    H3'    U   3           H3'        U   3   4.201   5.165  11.742
  834    H2'    U   3           H2'        U   3   2.391   5.963  10.451
  835   HO2'    U   3          HO2'        U   3   4.320   7.567  10.483
  836    H1'    U   3           H1'        U   3   3.938   5.651   7.890
  837    H3     U   3           H3         U   3   0.338   6.555   5.380
  838    H5     U   3           H5         U   3  -1.346   4.734   8.776
  839    H6     U   3           H6         U   3   0.882   4.483   9.676
  840    H5'    U   4           H5'        U   4   8.301   4.938   9.774
  841   H5''    U   4          H5''        U   4   9.323   5.616  11.053
  842    H4'    U   4           H4'        U   4  10.478   5.480   8.860
  843    H3'    U   4           H3'        U   4  10.631   7.594  10.622
  844    H2'    U   4           H2'        U   4   8.906   8.872   9.577
  845   HO2'    U   4          HO2'        U   4  10.800  10.171   9.610
  846    H1'    U   4           H1'        U   4  10.050   8.166   6.867
  847    H3     U   4           H3         U   4   7.078  11.407   5.638
  848    H5     U   4           H5         U   4   4.710   8.441   7.461
  849    H6     U   4           H6         U   4   6.752   7.307   8.114
  850    H5'    C   5           H5'        C   5  13.202   9.486  10.330
  851   H5''    C   5          H5''        C   5  14.854   8.838  10.255
  852    H4'    C   5           H4'        C   5  13.377   9.213  12.896
  853    H3'    C   5           H3'        C   5  13.783  11.415  11.447
  854    H2'    C   5           H2'        C   5  15.894  10.880  10.573
  855   HO2'    C   5          HO2'        C   5  16.169  12.880  11.671
  856    H1'    C   5           H1'        C   5  17.135   9.961  13.116
  857    H41    C   5           H41        C   5  19.622   5.887   8.645
  858    H42    C   5           H42        C   5  20.048   7.379   7.825
  859    H5     C   5           H5         C   5  19.279   9.574   8.603
  860    H6     C   5           H6         C   5  17.954  10.717  10.258
  Start of MODEL   10
    1    H1   ALA   2           H1       ALA   2  11.483   8.814  -5.921
    2    H2   ALA   2           H2       ALA   2  11.142   7.351  -5.227
    3    H3   ALA   2           H3       ALA   2  10.448   7.764  -6.672
    4    HA   ALA   2           HA       ALA   2   9.228   9.541  -5.647
    5    HB1  ALA   2           HB1      ALA   2   8.867   6.843  -4.305
    6    HB2  ALA   2           HB2      ALA   2   7.660   8.151  -4.365
    7    HB3  ALA   2           HB3      ALA   2   8.165   7.346  -5.860
    8    H    SER   3           H        SER   3   8.439  10.488  -3.619
    9    HA   SER   3           HA       SER   3  10.594  11.128  -1.814
   10    HB2  SER   3           HB2      SER   3   7.613  11.685  -1.634
   11    HB3  SER   3           HB3      SER   3   8.891  12.476  -0.684
   12    HG   SER   3           HG       SER   3   8.299  13.703  -2.523
   13    H    ASN   4           H        ASN   4  10.496  10.857   0.562
   14    HA   ASN   4           HA       ASN   4   9.742   8.106   1.202
   15    HB2  ASN   4           HB2      ASN   4  11.044   8.451   3.230
   16    HB3  ASN   4           HB3      ASN   4  11.958   8.924   1.797
   17   HD21  ASN   4          HD21      ASN   4  12.951   9.851   4.092
   18   HD22  ASN   4          HD22      ASN   4  12.577  11.547   4.330
   19    H    VAL   5           H        VAL   5   7.894  10.737   1.043
   20    HA   VAL   5           HA       VAL   5   6.626  10.482   3.708
   21    HB   VAL   5           HB       VAL   5   6.262  12.453   1.419
   22   HG11  VAL   5          HG11      VAL   5   4.137  12.149   2.648
   23   HG12  VAL   5          HG12      VAL   5   4.991  12.424   4.188
   24   HG13  VAL   5          HG13      VAL   5   4.858  13.732   2.996
   25   HG21  VAL   5          HG21      VAL   5   8.376  12.722   2.646
   26   HG22  VAL   5          HG22      VAL   5   7.268  14.046   3.049
   27   HG23  VAL   5          HG23      VAL   5   7.502  12.702   4.193
   28    H    THR   6           H        THR   6   4.761   9.475   4.054
   29    HA   THR   6           HA       THR   6   2.910   8.939   1.825
   30    HB   THR   6           HB       THR   6   2.711   6.535   2.512
   31    HG1  THR   6           HG1      THR   6   3.716   6.651   4.523
   32   HG21  THR   6          HG21      THR   6   5.490   7.272   1.529
   33   HG22  THR   6          HG22      THR   6   4.659   5.719   1.322
   34   HG23  THR   6          HG23      THR   6   4.024   7.164   0.513
   35    H    ASN   7           H        ASN   7   3.163  10.364   4.705
   36    HA   ASN   7           HA       ASN   7   0.618   9.165   5.689
   37    HB2  ASN   7           HB2      ASN   7   2.563   8.725   7.138
   38    HB3  ASN   7           HB3      ASN   7   2.776  10.469   7.359
   39   HD21  ASN   7          HD21      ASN   7   2.447   9.002   9.595
   40   HD22  ASN   7          HD22      ASN   7   0.857   9.270  10.279
   41    H    LYS   8           H        LYS   8  -1.010  10.390   5.266
   42    HA   LYS   8           HA       LYS   8  -1.132  13.190   6.159
   43    HB2  LYS   8           HB2      LYS   8  -1.906  12.381   3.327
   44    HB3  LYS   8           HB3      LYS   8  -2.207  13.942   4.091
   45    HG2  LYS   8           HG2      LYS   8   0.252  14.281   4.340
   46    HG3  LYS   8           HG3      LYS   8   0.521  12.748   3.464
   47    HD2  LYS   8           HD2      LYS   8  -0.834  13.651   1.566
   48    HD3  LYS   8           HD3      LYS   8  -0.937  15.206   2.416
   49    HE2  LYS   8           HE2      LYS   8   1.645  13.804   1.615
   50    HE3  LYS   8           HE3      LYS   8   0.872  15.094   0.674
   51    HZ1  LYS   8           HZ1      LYS   8   2.598  15.960   2.084
   52    HZ2  LYS   8           HZ2      LYS   8   1.139  16.548   2.563
   53    HZ3  LYS   8           HZ3      LYS   8   1.873  15.363   3.432
   54    H    THR   9           H        THR   9  -3.539  13.850   6.191
   55    HA   THR   9           HA       THR   9  -5.271  11.431   6.323
   56    HB   THR   9           HB       THR   9  -6.351  12.307   8.316
   57    HG1  THR   9           HG1      THR   9  -5.889  14.504   8.082
   58   HG21  THR   9          HG21      THR   9  -4.547  11.844   9.903
   59   HG22  THR   9          HG22      THR   9  -4.431  10.741   8.513
   60   HG23  THR   9          HG23      THR   9  -3.327  12.127   8.643
   61    H    ASP  10           H        ASP  10  -4.856  13.795   4.346
   62    HA   ASP  10           HA       ASP  10  -7.356  15.220   4.407
   63    HB2  ASP  10           HB2      ASP  10  -5.382  14.734   2.148
   64    HB3  ASP  10           HB3      ASP  10  -6.699  15.906   2.103
   65    HA   PRO  11           HA       PRO  11 -10.122  12.276   2.855
   66    HB2  PRO  11           HB2      PRO  11 -11.896  13.734   1.354
   67    HB3  PRO  11           HB3      PRO  11 -11.748  13.888   3.138
   68    HG2  PRO  11           HG2      PRO  11 -10.427  15.610   1.010
   69    HG3  PRO  11           HG3      PRO  11 -11.389  16.145   2.435
   70    HD2  PRO  11           HD2      PRO  11  -8.686  16.072   2.509
   71    HD3  PRO  11           HD3      PRO  11  -9.646  15.548   3.928
   72    H    ARG  12           H        ARG  12  -7.887  13.612   0.718
   73    HA   ARG  12           HA       ARG  12  -8.724  11.629  -1.350
   74    HB2  ARG  12           HB2      ARG  12  -8.717  14.399  -1.693
   75    HB3  ARG  12           HB3      ARG  12  -7.169  13.901  -2.389
   76    HG2  ARG  12           HG2      ARG  12  -9.892  12.725  -3.068
   77    HG3  ARG  12           HG3      ARG  12  -9.027  13.925  -4.039
   78    HD2  ARG  12           HD2      ARG  12  -7.181  12.293  -4.388
   79    HD3  ARG  12           HD3      ARG  12  -8.057  11.105  -3.409
   80    HE   ARG  12           HE       ARG  12  -9.569  10.742  -5.146
   81   HH11  ARG  12          HH11      ARG  12  -7.418  13.436  -5.937
   82   HH12  ARG  12          HH12      ARG  12  -7.889  13.470  -7.619
   83   HH21  ARG  12          HH21      ARG  12 -10.179  10.823  -7.344
   84   HH22  ARG  12          HH22      ARG  12  -9.449  11.996  -8.412
   85    H    SER  13           H        SER  13  -6.156  13.184   0.506
   86    HA   SER  13           HA       SER  13  -3.983  11.885  -0.902
   87    HB2  SER  13           HB2      SER  13  -4.064  13.114   1.866
   88    HB3  SER  13           HB3      SER  13  -2.615  12.709   0.919
   89    HG   SER  13           HG       SER  13  -3.228  14.921   0.708
   90    H    MET  14           H        MET  14  -6.122  10.961   1.827
   91    HA   MET  14           HA       MET  14  -4.322   8.699   2.360
   92    HB2  MET  14           HB2      MET  14  -5.339   8.413   4.368
   93    HB3  MET  14           HB3      MET  14  -5.500  10.162   4.155
   94    HG2  MET  14           HG2      MET  14  -7.814   9.895   3.451
   95    HG3  MET  14           HG3      MET  14  -7.671   8.132   3.490
   96    HE1  MET  14           HE1      MET  14  -5.891   7.724   6.251
   97    HE2  MET  14           HE2      MET  14  -7.263   7.318   7.293
   98    HE3  MET  14           HE3      MET  14  -7.202   6.698   5.631
   99    H    ASN  15           H        ASN  15  -6.766   9.318   0.175
  100    HA   ASN  15           HA       ASN  15  -7.605   6.463   0.126
  101    HB2  ASN  15           HB2      ASN  15  -8.804   8.970  -1.099
  102    HB3  ASN  15           HB3      ASN  15  -9.371   7.330  -1.449
  103   HD21  ASN  15          HD21      ASN  15  -9.932   9.990   0.529
  104   HD22  ASN  15          HD22      ASN  15 -10.707   9.169   1.867
  105    H    SER  16           H        SER  16  -5.686   8.869  -1.537
  106    HA   SER  16           HA       SER  16  -5.282   7.137  -3.868
  107    HB2  SER  16           HB2      SER  16  -3.786   9.646  -3.032
  108    HB3  SER  16           HB3      SER  16  -3.790   8.872  -4.635
  109    HG   SER  16           HG       SER  16  -5.932  10.147  -3.281
  110    H    ARG  17           H        ARG  17  -4.616   6.426  -0.923
  111    HA   ARG  17           HA       ARG  17  -1.703   5.824  -1.206
  112    HB2  ARG  17           HB2      ARG  17  -2.516   7.317   0.641
  113    HB3  ARG  17           HB3      ARG  17  -3.436   5.940   1.275
  114    HG2  ARG  17           HG2      ARG  17  -1.331   4.648   1.563
  115    HG3  ARG  17           HG3      ARG  17  -0.414   6.026   0.910
  116    HD2  ARG  17           HD2      ARG  17  -2.115   6.002   3.433
  117    HD3  ARG  17           HD3      ARG  17  -0.344   6.106   3.346
  118    HE   ARG  17           HE       ARG  17  -0.938   8.236   1.896
  119   HH11  ARG  17          HH11      ARG  17  -2.398   7.229   4.982
  120   HH12  ARG  17          HH12      ARG  17  -2.966   8.837   5.337
  121   HH21  ARG  17          HH21      ARG  17  -1.742  10.259   2.381
  122   HH22  ARG  17          HH22      ARG  17  -2.596  10.536   3.893
  123    H    VAL  18           H        VAL  18  -0.992   3.728  -0.497
  124    HA   VAL  18           HA       VAL  18  -3.140   1.681  -0.194
  125    HB   VAL  18           HB       VAL  18  -0.670   1.441  -1.950
  126   HG11  VAL  18          HG11      VAL  18  -1.156  -0.669  -0.822
  127   HG12  VAL  18          HG12      VAL  18  -2.877  -0.538  -1.249
  128   HG13  VAL  18          HG13      VAL  18  -1.658  -0.772  -2.523
  129   HG21  VAL  18          HG21      VAL  18  -2.426   2.765  -3.009
  130   HG22  VAL  18          HG22      VAL  18  -2.440   1.127  -3.716
  131   HG23  VAL  18          HG23      VAL  18  -3.661   1.575  -2.514
  132    H    PHE  19           H        PHE  19  -2.871   0.359   1.452
  133    HA   PHE  19           HA       PHE  19  -0.366   0.471   3.018
  134    HB2  PHE  19           HB2      PHE  19  -2.466   0.797   4.219
  135    HB3  PHE  19           HB3      PHE  19  -3.114  -0.700   3.544
  136    HD1  PHE  19           HD1      PHE  19   0.086   0.273   5.278
  137    HD2  PHE  19           HD2      PHE  19  -3.295  -2.384   5.141
  138    HE1  PHE  19           HE1      PHE  19   0.984  -0.972   7.227
  139    HE2  PHE  19           HE2      PHE  19  -2.373  -3.647   7.055
  140    HZ   PHE  19           HZ       PHE  19  -0.230  -2.960   8.094
  141    H    ILE  20           H        ILE  20   1.027  -1.220   3.159
  142    HA   ILE  20           HA       ILE  20   0.316  -3.738   1.722
  143    HB   ILE  20           HB       ILE  20   2.985  -2.286   1.842
  144   HG12  ILE  20          HG12      ILE  20   1.332  -2.873  -0.641
  145   HG13  ILE  20          HG11      ILE  20   1.134  -1.379   0.285
  146   HG21  ILE  20          HG21      ILE  20   2.223  -4.882   0.415
  147   HG22  ILE  20          HG22      ILE  20   3.796  -4.071   0.303
  148   HG23  ILE  20          HG23      ILE  20   3.274  -4.757   1.839
  149   HD11  ILE  20          HD11      ILE  20   3.746  -2.332  -0.950
  150   HD12  ILE  20          HD12      ILE  20   2.691  -1.043  -1.570
  151   HD13  ILE  20          HD13      ILE  20   3.521  -0.839  -0.008
  152    H    GLY  21           H        GLY  21  -0.448  -4.507   3.738
  153    HA2  GLY  21           HA2      GLY  21   1.420  -4.769   5.988
  154    HA3  GLY  21           HA3      GLY  21  -0.245  -5.359   5.899
  155    H    ASN  22           H        ASN  22   1.424  -7.077   7.014
  156    HA   ASN  22           HA       ASN  22   2.502  -9.065   6.899
  157    HB2  ASN  22           HB2      ASN  22   0.131  -9.643   6.268
  158    HB3  ASN  22           HB3      ASN  22   0.608  -9.568   4.574
  159   HD21  ASN  22          HD21      ASN  22   0.009 -11.837   4.373
  160   HD22  ASN  22          HD22      ASN  22   1.107 -13.079   4.935
  161    H    LEU  23           H        LEU  23   4.051  -7.144   5.764
  162    HA   LEU  23           HA       LEU  23   5.101  -8.285   3.236
  163    HB2  LEU  23           HB2      LEU  23   4.575  -5.884   3.318
  164    HB3  LEU  23           HB3      LEU  23   5.650  -5.683   4.707
  165    HG   LEU  23           HG       LEU  23   7.589  -6.300   3.307
  166   HD11  LEU  23          HD11      LEU  23   5.547  -6.393   1.046
  167   HD12  LEU  23          HD12      LEU  23   7.312  -6.392   0.841
  168   HD13  LEU  23          HD13      LEU  23   6.522  -7.760   1.652
  169   HD21  LEU  23          HD21      LEU  23   6.833  -3.945   3.528
  170   HD22  LEU  23          HD22      LEU  23   7.609  -4.254   1.958
  171   HD23  LEU  23          HD23      LEU  23   5.836  -4.143   2.065
  172    H    ASN  24           H        ASN  24   7.274  -9.037   3.065
  173    HA   ASN  24           HA       ASN  24   8.261 -10.260   5.460
  174    HB2  ASN  24           HB2      ASN  24   8.568 -11.107   3.076
  175    HB3  ASN  24           HB3      ASN  24   9.730  -9.808   2.828
  176   HD21  ASN  24          HD21      ASN  24  11.636 -10.962   2.649
  177   HD22  ASN  24          HD22      ASN  24  12.259 -12.007   3.913
  178    H    THR  25           H        THR  25   9.186  -7.385   3.627
  179    HA   THR  25           HA       THR  25  10.589  -5.682   3.940
  180    HB   THR  25           HB       THR  25  10.573  -4.582   6.069
  181    HG1  THR  25           HG1      THR  25   9.696  -7.097   7.006
  182   HG21  THR  25          HG21      THR  25   7.921  -5.985   5.516
  183   HG22  THR  25          HG22      THR  25   8.127  -4.469   6.414
  184   HG23  THR  25          HG23      THR  25   8.539  -4.524   4.690
  185    H    LEU  26           H        LEU  26  11.722  -8.618   4.639
  186    HA   LEU  26           HA       LEU  26  14.338  -7.675   5.680
  187    HB2  LEU  26           HB2      LEU  26  12.843 -10.251   5.567
  188    HB3  LEU  26           HB3      LEU  26  14.591 -10.363   5.348
  189    HG   LEU  26           HG       LEU  26  14.970  -9.129   7.453
  190   HD11  LEU  26          HD11      LEU  26  11.949  -9.337   7.808
  191   HD12  LEU  26          HD12      LEU  26  13.106  -8.788   9.037
  192   HD13  LEU  26          HD13      LEU  26  12.867  -7.828   7.566
  193   HD21  LEU  26          HD21      LEU  26  14.864 -11.601   7.406
  194   HD22  LEU  26          HD22      LEU  26  14.272 -10.958   8.952
  195   HD23  LEU  26          HD23      LEU  26  13.118 -11.534   7.728
  196    H    VAL  27           H        VAL  27  12.754  -8.400   2.711
  197    HA   VAL  27           HA       VAL  27  15.410  -8.467   1.335
  198    HB   VAL  27           HB       VAL  27  12.880  -9.981   0.593
  199   HG11  VAL  27          HG11      VAL  27  15.622  -9.882  -0.748
  200   HG12  VAL  27          HG12      VAL  27  14.314 -11.009  -1.170
  201   HG13  VAL  27          HG13      VAL  27  14.092  -9.272  -1.427
  202   HG21  VAL  27          HG21      VAL  27  14.095 -11.010   2.486
  203   HG22  VAL  27          HG22      VAL  27  14.273 -11.993   1.021
  204   HG23  VAL  27          HG23      VAL  27  15.609 -10.954   1.553
  205    H    VAL  28           H        VAL  28  12.172  -7.142   1.562
  206    HA   VAL  28           HA       VAL  28  12.644  -5.560  -0.918
  207    HB   VAL  28           HB       VAL  28  10.106  -5.931   0.704
  208   HG11  VAL  28          HG11      VAL  28  10.608  -4.591  -1.988
  209   HG12  VAL  28          HG12      VAL  28   9.012  -4.895  -1.269
  210   HG13  VAL  28          HG13      VAL  28  10.133  -3.774  -0.479
  211   HG21  VAL  28          HG21      VAL  28  10.759  -8.001  -0.448
  212   HG22  VAL  28          HG22      VAL  28   9.396  -7.240  -1.306
  213   HG23  VAL  28          HG23      VAL  28  11.046  -7.094  -1.954
  214    H    LYS  29           H        LYS  29  12.596  -3.309  -0.897
  215    HA   LYS  29           HA       LYS  29  12.602  -1.968   1.759
  216    HB2  LYS  29           HB2      LYS  29  14.703  -1.518  -0.402
  217    HB3  LYS  29           HB3      LYS  29  14.580  -0.704   1.156
  218    HG2  LYS  29           HG2      LYS  29  16.189  -2.220   1.668
  219    HG3  LYS  29           HG3      LYS  29  14.761  -3.172   2.129
  220    HD2  LYS  29           HD2      LYS  29  14.836  -4.291  -0.115
  221    HD3  LYS  29           HD3      LYS  29  16.259  -3.318  -0.527
  222    HE2  LYS  29           HE2      LYS  29  17.487  -4.309   1.389
  223    HE3  LYS  29           HE3      LYS  29  16.064  -5.289   1.785
  224    HZ1  LYS  29           HZ1      LYS  29  17.640  -6.524   0.479
  225    HZ2  LYS  29           HZ2      LYS  29  16.257  -6.316  -0.383
  226    HZ3  LYS  29           HZ3      LYS  29  17.580  -5.414  -0.737
  227    H    LYS  30           H        LYS  30  12.679   0.476   1.410
  228    HA   LYS  30           HA       LYS  30  10.440   1.252  -0.204
  229    HB2  LYS  30           HB2      LYS  30  10.994   3.523   0.610
  230    HB3  LYS  30           HB3      LYS  30  10.906   2.303   1.896
  231    HG2  LYS  30           HG2      LYS  30  13.564   2.156   1.339
  232    HG3  LYS  30           HG3      LYS  30  13.265   3.847   0.903
  233    HD2  LYS  30           HD2      LYS  30  12.524   2.478   3.523
  234    HD3  LYS  30           HD3      LYS  30  13.920   3.537   3.294
  235    HE2  LYS  30           HE2      LYS  30  12.418   5.425   2.739
  236    HE3  LYS  30           HE3      LYS  30  11.009   4.375   2.929
  237    HZ1  LYS  30           HZ1      LYS  30  11.395   5.644   4.912
  238    HZ2  LYS  30           HZ2      LYS  30  11.630   4.051   5.226
  239    HZ3  LYS  30           HZ3      LYS  30  12.921   5.054   5.067
  240    H    SER  31           H        SER  31  13.587   0.593  -1.125
  241    HA   SER  31           HA       SER  31  13.484   2.445  -3.442
  242    HB2  SER  31           HB2      SER  31  15.668   0.528  -2.542
  243    HB3  SER  31           HB3      SER  31  15.785   1.712  -3.860
  244    HG   SER  31           HG       SER  31  16.662   2.494  -1.883
  245    H    ASP  32           H        ASP  32  12.183  -0.488  -2.632
  246    HA   ASP  32           HA       ASP  32  12.454  -1.597  -5.389
  247    HB2  ASP  32           HB2      ASP  32  12.060  -2.871  -2.659
  248    HB3  ASP  32           HB3      ASP  32  11.791  -3.742  -4.163
  249    H    VAL  33           H        VAL  33  10.250  -0.733  -2.703
  250    HA   VAL  33           HA       VAL  33   7.854  -1.746  -3.873
  251    HB   VAL  33           HB       VAL  33   8.379   0.585  -1.992
  252   HG11  VAL  33          HG11      VAL  33   6.176   0.842  -3.087
  253   HG12  VAL  33          HG12      VAL  33   5.756  -0.828  -2.627
  254   HG13  VAL  33          HG13      VAL  33   6.003   0.403  -1.374
  255   HG21  VAL  33          HG21      VAL  33   9.047  -1.629  -1.105
  256   HG22  VAL  33          HG22      VAL  33   7.585  -1.050  -0.283
  257   HG23  VAL  33          HG23      VAL  33   7.457  -2.290  -1.549
  258    H    GLU  34           H        GLU  34   9.753   1.210  -4.408
  259    HA   GLU  34           HA       GLU  34   7.703   2.449  -6.050
  260    HB2  GLU  34           HB2      GLU  34   9.383   4.142  -6.503
  261    HB3  GLU  34           HB3      GLU  34   9.258   3.810  -4.763
  262    HG2  GLU  34           HG2      GLU  34  11.268   2.391  -4.866
  263    HG3  GLU  34           HG3      GLU  34  11.381   2.634  -6.616
  264    H    ALA  35           H        ALA  35   9.396  -0.273  -6.668
  265    HA   ALA  35           HA       ALA  35   9.464   0.324  -9.588
  266    HB1  ALA  35           HB1      ALA  35  11.311  -1.503  -7.999
  267    HB2  ALA  35           HB2      ALA  35  11.335  -1.273  -9.759
  268    HB3  ALA  35           HB3      ALA  35  11.745   0.080  -8.681
  269    H    ILE  36           H        ILE  36   8.012  -1.436  -7.077
  270    HA   ILE  36           HA       ILE  36   7.183  -3.631  -8.920
  271    HB   ILE  36           HB       ILE  36   7.183  -3.385  -5.890
  272   HG12  ILE  36          HG12      ILE  36   8.740  -5.306  -7.662
  273   HG13  ILE  36          HG11      ILE  36   9.385  -3.742  -7.146
  274   HG21  ILE  36          HG21      ILE  36   6.461  -5.772  -5.899
  275   HG22  ILE  36          HG22      ILE  36   5.246  -4.722  -6.629
  276   HG23  ILE  36          HG23      ILE  36   6.300  -5.698  -7.673
  277   HD11  ILE  36          HD11      ILE  36   8.531  -6.013  -5.308
  278   HD12  ILE  36          HD12      ILE  36  10.185  -5.454  -5.618
  279   HD13  ILE  36          HD13      ILE  36   9.045  -4.398  -4.760
  280    H    PHE  37           H        PHE  37   6.065  -0.884  -7.007
  281    HA   PHE  37           HA       PHE  37   3.250  -1.585  -7.661
  282    HB2  PHE  37           HB2      PHE  37   4.510   0.252  -5.605
  283    HB3  PHE  37           HB3      PHE  37   2.787   0.245  -5.968
  284    HD1  PHE  37           HD1      PHE  37   5.572  -1.919  -4.755
  285    HD2  PHE  37           HD2      PHE  37   1.328  -1.338  -5.031
  286    HE1  PHE  37           HE1      PHE  37   5.213  -3.820  -3.195
  287    HE2  PHE  37           HE2      PHE  37   0.963  -3.241  -3.473
  288    HZ   PHE  37           HZ       PHE  37   2.909  -4.478  -2.555
  289    H    SER  38           H        SER  38   5.840   0.288  -8.805
  290    HA   SER  38           HA       SER  38   4.323   2.636  -9.579
  291    HB2  SER  38           HB2      SER  38   6.775   2.624  -9.152
  292    HB3  SER  38           HB3      SER  38   7.000   1.624 -10.603
  293    HG   SER  38           HG       SER  38   6.021   3.329 -11.795
  294    H    LYS  39           H        LYS  39   4.363  -0.562 -10.733
  295    HA   LYS  39           HA       LYS  39   3.898   0.116 -13.537
  296    HB2  LYS  39           HB2      LYS  39   3.720  -2.296 -13.816
  297    HB3  LYS  39           HB3      LYS  39   5.133  -1.891 -12.820
  298    HG2  LYS  39           HG2      LYS  39   3.563  -2.240 -10.780
  299    HG3  LYS  39           HG3      LYS  39   2.459  -3.024 -11.926
  300    HD2  LYS  39           HD2      LYS  39   5.363  -3.769 -11.420
  301    HD3  LYS  39           HD3      LYS  39   3.969  -4.635 -10.751
  302    HE2  LYS  39           HE2      LYS  39   4.603  -4.325 -13.717
  303    HE3  LYS  39           HE3      LYS  39   4.922  -5.770 -12.754
  304    HZ1  LYS  39           HZ1      LYS  39   2.868  -5.977 -13.948
  305    HZ2  LYS  39           HZ2      LYS  39   2.554  -5.940 -12.334
  306    HZ3  LYS  39           HZ3      LYS  39   2.259  -4.616 -13.260
  307    H    TYR  40           H        TYR  40   1.993   0.073 -10.692
  308    HA   TYR  40           HA       TYR  40  -0.499  -0.375 -12.269
  309    HB2  TYR  40           HB2      TYR  40  -0.078  -0.309  -9.262
  310    HB3  TYR  40           HB3      TYR  40  -1.577  -0.704 -10.103
  311    HD1  TYR  40           HD1      TYR  40  -1.484  -2.708 -11.781
  312    HD2  TYR  40           HD2      TYR  40   1.430  -2.001  -8.704
  313    HE1  TYR  40           HE1      TYR  40  -0.734  -5.074 -11.956
  314    HE2  TYR  40           HE2      TYR  40   2.208  -4.349  -8.886
  315    HH   TYR  40           HH       TYR  40   1.856  -6.391  -9.863
  316    H    GLY  41           H        GLY  41   1.436   2.075 -10.780
  317    HA2  GLY  41           HA2      GLY  41  -0.177   4.125 -11.939
  318    HA3  GLY  41           HA3      GLY  41  -0.492   4.046 -10.194
  319    H    LYS  42           H        LYS  42   0.631   6.315 -11.434
  320    HA   LYS  42           HA       LYS  42   3.506   6.338 -11.141
  321    HB2  LYS  42           HB2      LYS  42   2.417   7.867 -12.662
  322    HB3  LYS  42           HB3      LYS  42   1.332   8.455 -11.382
  323    HG2  LYS  42           HG2      LYS  42   3.228   9.438 -10.179
  324    HG3  LYS  42           HG3      LYS  42   4.356   8.840 -11.425
  325    HD2  LYS  42           HD2      LYS  42   3.327  10.238 -13.117
  326    HD3  LYS  42           HD3      LYS  42   1.996  10.666 -12.027
  327    HE2  LYS  42           HE2      LYS  42   3.527  12.512 -12.058
  328    HE3  LYS  42           HE3      LYS  42   3.615  11.714 -10.472
  329    HZ1  LYS  42           HZ1      LYS  42   5.795  12.231 -11.339
  330    HZ2  LYS  42           HZ2      LYS  42   5.611  10.603 -11.219
  331    HZ3  LYS  42           HZ3      LYS  42   5.525  11.332 -12.690
  332    H    ILE  43           H        ILE  43   4.509   6.161  -9.245
  333    HA   ILE  43           HA       ILE  43   3.072   6.715  -6.764
  334    HB   ILE  43           HB       ILE  43   5.864   5.675  -7.362
  335   HG12  ILE  43          HG12      ILE  43   3.298   4.370  -6.362
  336   HG13  ILE  43          HG11      ILE  43   3.964   4.215  -8.003
  337   HG21  ILE  43          HG21      ILE  43   4.404   5.829  -4.688
  338   HG22  ILE  43          HG22      ILE  43   6.002   5.107  -4.986
  339   HG23  ILE  43          HG23      ILE  43   5.781   6.852  -5.162
  340   HD11  ILE  43          HD11      ILE  43   4.486   2.232  -6.683
  341   HD12  ILE  43          HD12      ILE  43   5.980   3.118  -7.075
  342   HD13  ILE  43          HD13      ILE  43   5.273   3.207  -5.439
  343    H    VAL  44           H        VAL  44   3.194   8.493  -5.565
  344    HA   VAL  44           HA       VAL  44   5.159  10.588  -6.351
  345    HB   VAL  44           HB       VAL  44   3.586  12.200  -5.401
  346   HG11  VAL  44          HG11      VAL  44   1.830  12.012  -7.107
  347   HG12  VAL  44          HG12      VAL  44   3.415  11.579  -7.794
  348   HG13  VAL  44          HG13      VAL  44   2.238  10.310  -7.377
  349   HG21  VAL  44          HG21      VAL  44   1.308  11.506  -4.742
  350   HG22  VAL  44          HG22      VAL  44   1.745   9.803  -4.972
  351   HG23  VAL  44          HG23      VAL  44   2.526  10.755  -3.690
  352    H    GLY  45           H        GLY  45   4.554   8.247  -4.034
  353    HA2  GLY  45           HA2      GLY  45   6.680   9.167  -2.344
  354    HA3  GLY  45           HA3      GLY  45   5.106   9.386  -1.555
  355    H    CYS  46           H        CYS  46   7.401   7.484  -1.003
  356    HA   CYS  46           HA       CYS  46   5.749   5.062  -0.752
  357    HB2  CYS  46           HB2      CYS  46   7.424   3.619  -1.761
  358    HB3  CYS  46           HB3      CYS  46   6.974   4.871  -2.943
  359    HG   CYS  46           HG       CYS  46   9.546   4.377  -3.078
  360    H    SER  47           H        SER  47   6.499   3.642   0.926
  361    HA   SER  47           HA       SER  47   8.994   4.250   2.296
  362    HB2  SER  47           HB2      SER  47   7.411   5.975   3.212
  363    HB3  SER  47           HB3      SER  47   6.378   4.657   3.802
  364    HG   SER  47           HG       SER  47   7.933   5.452   5.350
  365    H    VAL  48           H        VAL  48   9.592   2.630   3.766
  366    HA   VAL  48           HA       VAL  48   7.769   0.280   3.982
  367    HB   VAL  48           HB       VAL  48  10.742   0.243   3.360
  368   HG11  VAL  48          HG11      VAL  48   8.816  -2.031   4.003
  369   HG12  VAL  48          HG12      VAL  48  10.459  -2.233   3.344
  370   HG13  VAL  48          HG13      VAL  48  10.237  -1.539   4.956
  371   HG21  VAL  48          HG21      VAL  48   9.260   0.632   1.414
  372   HG22  VAL  48          HG22      VAL  48   9.970  -1.001   1.356
  373   HG23  VAL  48          HG23      VAL  48   8.285  -0.783   1.863
  374    H    HIS  49           H        HIS  49   7.888  -0.858   5.875
  375    HA   HIS  49           HA       HIS  49   9.414   0.341   8.131
  376    HB2  HIS  49           HB2      HIS  49   6.465  -0.394   8.117
  377    HB3  HIS  49           HB3      HIS  49   7.366   0.305   9.464
  378    HD2  HIS  49           HD2      HIS  49   5.986   1.239   5.957
  379    HE1  HIS  49           HE1      HIS  49   6.805   4.888   7.970
  380    HE2  HIS  49           HE2      HIS  49   5.787   3.844   5.883
  381    H    LYS  50           H        LYS  50   8.357  -1.404  10.109
  382    HA   LYS  50           HA       LYS  50   9.473  -3.975   9.160
  383    HB2  LYS  50           HB2      LYS  50   8.670  -3.002  11.935
  384    HB3  LYS  50           HB3      LYS  50   9.373  -4.593  11.567
  385    HG2  LYS  50           HG2      LYS  50  11.375  -3.478  10.603
  386    HG3  LYS  50           HG3      LYS  50  10.687  -1.897  11.042
  387    HD2  LYS  50           HD2      LYS  50  10.675  -2.560  13.431
  388    HD3  LYS  50           HD3      LYS  50  11.327  -4.150  12.990
  389    HE2  LYS  50           HE2      LYS  50  13.141  -2.735  13.771
  390    HE3  LYS  50           HE3      LYS  50  13.339  -3.051  12.035
  391    HZ1  LYS  50           HZ1      LYS  50  13.715  -0.756  12.579
  392    HZ2  LYS  50           HZ2      LYS  50  12.388  -0.880  11.613
  393    HZ3  LYS  50           HZ3      LYS  50  12.210  -0.601  13.223
  394    H    GLY  51           H        GLY  51   8.195  -5.425   8.298
  395    HA2  GLY  51           HA2      GLY  51   6.474  -6.968   8.203
  396    HA3  GLY  51           HA3      GLY  51   5.705  -6.188   9.590
  397    H    PHE  52           H        PHE  52   6.133  -3.562   7.685
  398    HA   PHE  52           HA       PHE  52   4.021  -4.138   5.724
  399    HB2  PHE  52           HB2      PHE  52   2.599  -2.310   6.446
  400    HB3  PHE  52           HB3      PHE  52   2.708  -3.562   7.674
  401    HD1  PHE  52           HD1      PHE  52   4.071  -3.168   9.748
  402    HD2  PHE  52           HD2      PHE  52   3.320  -0.066   6.859
  403    HE1  PHE  52           HE1      PHE  52   4.724  -1.455  11.413
  404    HE2  PHE  52           HE2      PHE  52   3.960   1.642   8.526
  405    HZ   PHE  52           HZ       PHE  52   4.668   0.953  10.810
  406    H    ALA  53           H        ALA  53   3.552  -2.156   4.380
  407    HA   ALA  53           HA       ALA  53   5.622  -0.062   4.365
  408    HB1  ALA  53           HB1      ALA  53   5.083  -1.918   2.014
  409    HB2  ALA  53           HB2      ALA  53   6.044  -0.423   1.939
  410    HB3  ALA  53           HB3      ALA  53   6.594  -1.779   2.947
  411    H    PHE  54           H        PHE  54   5.043   1.541   2.519
  412    HA   PHE  54           HA       PHE  54   2.116   1.745   2.081
  413    HB2  PHE  54           HB2      PHE  54   3.875   3.620   3.651
  414    HB3  PHE  54           HB3      PHE  54   2.590   4.292   2.656
  415    HD1  PHE  54           HD1      PHE  54   0.224   3.469   2.942
  416    HD2  PHE  54           HD2      PHE  54   3.332   2.752   5.834
  417    HE1  PHE  54           HE1      PHE  54  -1.496   3.038   4.680
  418    HE2  PHE  54           HE2      PHE  54   1.609   2.310   7.562
  419    HZ   PHE  54           HZ       PHE  54  -0.796   2.459   6.988
  420    H    VAL  55           H        VAL  55   1.517   2.959   0.327
  421    HA   VAL  55           HA       VAL  55   3.629   4.165  -1.370
  422    HB   VAL  55           HB       VAL  55   1.530   2.155  -2.306
  423   HG11  VAL  55          HG11      VAL  55   3.534   3.827  -3.880
  424   HG12  VAL  55          HG12      VAL  55   2.581   2.482  -4.547
  425   HG13  VAL  55          HG13      VAL  55   1.759   3.941  -3.972
  426   HG21  VAL  55          HG21      VAL  55   3.529   1.117  -1.301
  427   HG22  VAL  55          HG22      VAL  55   3.522   0.889  -3.064
  428   HG23  VAL  55          HG23      VAL  55   4.570   2.133  -2.331
  429    H    GLN  56           H        GLN  56   2.914   5.881  -2.622
  430    HA   GLN  56           HA       GLN  56   0.119   6.783  -2.139
  431    HB2  GLN  56           HB2      GLN  56   1.867   7.965  -0.727
  432    HB3  GLN  56           HB3      GLN  56   2.636   8.497  -2.231
  433    HG2  GLN  56           HG2      GLN  56   1.272  10.307  -1.497
  434    HG3  GLN  56           HG3      GLN  56   0.428   9.580  -2.869
  435   HE21  GLN  56          HE21      GLN  56  -1.724   9.715  -2.490
  436   HE22  GLN  56          HE22      GLN  56  -2.500   9.336  -0.956
  437    H    TYR  57           H        TYR  57  -0.958   7.423  -3.936
  438    HA   TYR  57           HA       TYR  57   0.567   7.545  -6.502
  439    HB2  TYR  57           HB2      TYR  57  -2.266   6.620  -5.919
  440    HB3  TYR  57           HB3      TYR  57  -1.576   6.847  -7.531
  441    HD1  TYR  57           HD1      TYR  57   0.835   5.672  -7.812
  442    HD2  TYR  57           HD2      TYR  57  -2.338   4.377  -5.204
  443    HE1  TYR  57           HE1      TYR  57   1.785   3.371  -7.790
  444    HE2  TYR  57           HE2      TYR  57  -1.372   2.104  -5.159
  445    HH   TYR  57           HH       TYR  57   0.324   0.751  -5.859
  446    H    VAL  58           H        VAL  58  -0.813   8.760  -8.213
  447    HA   VAL  58           HA       VAL  58  -1.162  11.472  -7.314
  448    HB   VAL  58           HB       VAL  58  -1.804  10.031  -9.922
  449   HG11  VAL  58          HG11      VAL  58  -1.856  13.005  -9.272
  450   HG12  VAL  58          HG12      VAL  58  -1.923  12.311 -10.916
  451   HG13  VAL  58          HG13      VAL  58  -3.237  11.999  -9.770
  452   HG21  VAL  58          HG21      VAL  58   0.211  11.209 -10.721
  453   HG22  VAL  58          HG22      VAL  58   0.452  11.917  -9.109
  454   HG23  VAL  58          HG23      VAL  58   0.595  10.159  -9.342
  455    H    ASN  59           H        ASN  59  -3.368   8.710  -7.852
  456    HA   ASN  59           HA       ASN  59  -5.401  10.197  -6.405
  457    HB2  ASN  59           HB2      ASN  59  -7.005  10.440  -8.002
  458    HB3  ASN  59           HB3      ASN  59  -5.543  10.791  -8.947
  459   HD21  ASN  59          HD21      ASN  59  -4.572   8.503  -9.886
  460   HD22  ASN  59          HD22      ASN  59  -5.792   7.574 -10.720
  461    H    GLU  60           H        GLU  60  -7.418   8.878  -6.079
  462    HA   GLU  60           HA       GLU  60  -6.812   6.405  -4.896
  463    HB2  GLU  60           HB2      GLU  60  -8.681   7.827  -4.276
  464    HB3  GLU  60           HB3      GLU  60  -9.426   7.596  -5.872
  465    HG2  GLU  60           HG2      GLU  60  -9.723   5.203  -5.418
  466    HG3  GLU  60           HG3      GLU  60  -8.886   5.364  -3.865
  467    H    ARG  61           H        ARG  61  -7.844   7.052  -8.283
  468    HA   ARG  61           HA       ARG  61  -8.702   4.405  -8.869
  469    HB2  ARG  61           HB2      ARG  61  -9.129   6.176 -10.434
  470    HB3  ARG  61           HB3      ARG  61  -7.408   6.583 -10.535
  471    HG2  ARG  61           HG2      ARG  61  -8.234   5.388 -12.545
  472    HG3  ARG  61           HG3      ARG  61  -6.897   4.561 -11.731
  473    HD2  ARG  61           HD2      ARG  61  -8.427   3.001 -10.673
  474    HD3  ARG  61           HD3      ARG  61  -9.831   3.873 -11.329
  475    HE   ARG  61           HE       ARG  61  -8.297   3.186 -13.550
  476   HH11  ARG  61          HH11      ARG  61  -9.826   1.422 -10.893
  477   HH12  ARG  61          HH12      ARG  61 -10.099  -0.017 -11.851
  478   HH21  ARG  61          HH21      ARG  61  -8.644   1.289 -14.766
  479   HH22  ARG  61          HH22      ARG  61  -9.432  -0.089 -14.042
  480    H    ASN  62           H        ASN  62  -5.434   5.883  -8.796
  481    HA   ASN  62           HA       ASN  62  -4.160   3.524  -9.870
  482    HB2  ASN  62           HB2      ASN  62  -3.233   6.003  -8.406
  483    HB3  ASN  62           HB3      ASN  62  -2.108   4.702  -8.872
  484   HD21  ASN  62          HD21      ASN  62  -2.737   3.912 -11.308
  485   HD22  ASN  62          HD22      ASN  62  -2.745   5.236 -12.458
  486    H    ALA  63           H        ALA  63  -5.245   4.478  -6.670
  487    HA   ALA  63           HA       ALA  63  -3.601   2.547  -5.252
  488    HB1  ALA  63           HB1      ALA  63  -6.160   3.983  -4.419
  489    HB2  ALA  63           HB2      ALA  63  -5.070   3.097  -3.342
  490    HB3  ALA  63           HB3      ALA  63  -4.504   4.578  -4.151
  491    H    ARG  64           H        ARG  64  -6.896   2.608  -6.621
  492    HA   ARG  64           HA       ARG  64  -7.666   0.034  -5.551
  493    HB2  ARG  64           HB2      ARG  64  -8.670   1.539  -8.003
  494    HB3  ARG  64           HB3      ARG  64  -9.472   0.157  -7.248
  495    HG2  ARG  64           HG2      ARG  64  -8.981   2.856  -5.923
  496    HG3  ARG  64           HG3      ARG  64 -10.514   2.302  -6.613
  497    HD2  ARG  64           HD2      ARG  64 -10.591   0.451  -4.982
  498    HD3  ARG  64           HD3      ARG  64  -9.057   1.007  -4.276
  499    HE   ARG  64           HE       ARG  64 -10.776   3.223  -4.269
  500   HH11  ARG  64          HH11      ARG  64 -10.751  -0.005  -2.785
  501   HH12  ARG  64          HH12      ARG  64 -11.645   0.555  -1.383
  502   HH21  ARG  64          HH21      ARG  64 -11.972   3.843  -2.466
  503   HH22  ARG  64          HH22      ARG  64 -12.354   2.661  -1.220
  504    H    ALA  65           H        ALA  65  -5.725   1.047  -8.309
  505    HA   ALA  65           HA       ALA  65  -6.001  -1.507  -9.696
  506    HB1  ALA  65           HB1      ALA  65  -4.065   0.810 -10.082
  507    HB2  ALA  65           HB2      ALA  65  -4.342  -0.524 -11.224
  508    HB3  ALA  65           HB3      ALA  65  -5.644   0.635 -10.883
  509    H    ALA  66           H        ALA  66  -3.709  -0.017  -7.379
  510    HA   ALA  66           HA       ALA  66  -1.789  -2.189  -7.719
  511    HB1  ALA  66           HB1      ALA  66  -1.115   0.105  -7.210
  512    HB2  ALA  66           HB2      ALA  66  -1.996   0.029  -5.659
  513    HB3  ALA  66           HB3      ALA  66  -0.595  -1.035  -5.937
  514    H    VAL  67           H        VAL  67  -4.399  -1.310  -5.433
  515    HA   VAL  67           HA       VAL  67  -3.900  -3.400  -3.543
  516    HB   VAL  67           HB       VAL  67  -6.373  -1.843  -4.362
  517   HG11  VAL  67          HG11      VAL  67  -6.059  -3.860  -2.097
  518   HG12  VAL  67          HG12      VAL  67  -7.406  -2.707  -2.253
  519   HG13  VAL  67          HG13      VAL  67  -7.188  -3.972  -3.472
  520   HG21  VAL  67          HG21      VAL  67  -4.483  -0.671  -3.161
  521   HG22  VAL  67          HG22      VAL  67  -6.004  -0.684  -2.245
  522   HG23  VAL  67          HG23      VAL  67  -4.685  -1.806  -1.819
  523    H    ALA  68           H        ALA  68  -5.654  -3.298  -6.674
  524    HA   ALA  68           HA       ALA  68  -6.509  -6.091  -6.292
  525    HB1  ALA  68           HB1      ALA  68  -6.922  -4.144  -8.591
  526    HB2  ALA  68           HB2      ALA  68  -7.677  -5.746  -8.432
  527    HB3  ALA  68           HB3      ALA  68  -8.065  -4.457  -7.267
  528    H    GLY  69           H        GLY  69  -3.709  -4.504  -7.427
  529    HA2  GLY  69           HA2      GLY  69  -3.126  -6.600  -9.442
  530    HA3  GLY  69           HA3      GLY  69  -2.299  -5.053  -9.238
  531    H    GLU  70           H        GLU  70  -2.390  -5.901  -6.116
  532    HA   GLU  70           HA       GLU  70   0.058  -7.630  -6.277
  533    HB2  GLU  70           HB2      GLU  70  -0.283  -4.954  -4.902
  534    HB3  GLU  70           HB3      GLU  70   1.014  -6.089  -4.508
  535    HG2  GLU  70           HG2      GLU  70   0.529  -5.074  -7.333
  536    HG3  GLU  70           HG3      GLU  70   1.600  -4.272  -6.179
  537    H    ASP  71           H        ASP  71  -2.900  -6.753  -4.538
  538    HA   ASP  71           HA       ASP  71  -2.189  -7.897  -2.034
  539    HB2  ASP  71           HB2      ASP  71  -4.176  -6.498  -2.379
  540    HB3  ASP  71           HB3      ASP  71  -4.877  -7.731  -3.438
  541    H    GLY  72           H        GLY  72  -1.510  -9.941  -1.638
  542    HA2  GLY  72           HA2      GLY  72  -1.798 -12.265  -1.519
  543    HA3  GLY  72           HA3      GLY  72  -3.000 -12.192  -2.826
  544    H    ARG  73           H        ARG  73  -0.260 -10.315  -3.617
  545    HA   ARG  73           HA       ARG  73   0.783 -12.311  -5.457
  546    HB2  ARG  73           HB2      ARG  73   2.203 -10.616  -6.232
  547    HB3  ARG  73           HB3      ARG  73   0.692  -9.802  -5.834
  548    HG2  ARG  73           HG2      ARG  73   2.000  -8.360  -4.648
  549    HG3  ARG  73           HG3      ARG  73   2.072  -9.655  -3.431
  550    HD2  ARG  73           HD2      ARG  73   4.319  -8.917  -3.931
  551    HD3  ARG  73           HD3      ARG  73   4.128 -10.531  -4.657
  552    HE   ARG  73           HE       ARG  73   3.647  -8.077  -6.268
  553   HH11  ARG  73          HH11      ARG  73   5.621 -10.998  -5.775
  554   HH12  ARG  73          HH12      ARG  73   6.394 -10.844  -7.329
  555   HH21  ARG  73          HH21      ARG  73   4.660  -7.938  -8.250
  556   HH22  ARG  73          HH22      ARG  73   5.870  -9.113  -8.722
  557    H    MET  74           H        MET  74   3.314 -12.730  -5.268
  558    HA   MET  74           HA       MET  74   3.817 -13.358  -2.387
  559    HB2  MET  74           HB2      MET  74   3.291 -15.298  -3.846
  560    HB3  MET  74           HB3      MET  74   4.744 -14.938  -4.805
  561    HG2  MET  74           HG2      MET  74   6.190 -15.374  -2.967
  562    HG3  MET  74           HG3      MET  74   4.872 -15.253  -1.796
  563    HE1  MET  74           HE1      MET  74   2.539 -16.896  -2.764
  564    HE2  MET  74           HE2      MET  74   2.899 -18.504  -2.096
  565    HE3  MET  74           HE3      MET  74   3.241 -17.039  -1.143
  566    H    ILE  75           H        ILE  75   5.451 -12.328  -1.505
  567    HA   ILE  75           HA       ILE  75   7.735 -11.533  -3.241
  568    HB   ILE  75           HB       ILE  75   5.828  -9.822  -1.880
  569   HG12  ILE  75          HG12      ILE  75   8.241  -9.349  -3.669
  570   HG13  ILE  75          HG11      ILE  75   6.587  -9.695  -4.204
  571   HG21  ILE  75          HG21      ILE  75   8.747  -9.401  -1.135
  572   HG22  ILE  75          HG22      ILE  75   7.401  -8.275  -0.809
  573   HG23  ILE  75          HG23      ILE  75   7.435  -9.849  -0.014
  574   HD11  ILE  75          HD11      ILE  75   7.059  -7.305  -4.386
  575   HD12  ILE  75          HD12      ILE  75   5.807  -7.574  -3.168
  576   HD13  ILE  75          HD13      ILE  75   7.478  -7.212  -2.664
  577    H    ALA  76           H        ALA  76   9.713 -11.847  -2.422
  578    HA   ALA  76           HA       ALA  76  11.255 -12.947  -1.224
  579    HB1  ALA  76           HB1      ALA  76   9.752 -11.900   1.191
  580    HB2  ALA  76           HB2      ALA  76  11.450 -12.405   1.123
  581    HB3  ALA  76           HB3      ALA  76  10.920 -10.962   0.216
  582    H    GLY  77           H        GLY  77   8.533 -14.305  -1.775
  583    HA2  GLY  77           HA2      GLY  77   8.053 -16.586  -1.654
  584    HA3  GLY  77           HA3      GLY  77   9.165 -16.745  -0.276
  585    H    GLN  78           H        GLN  78   7.184 -14.041   0.268
  586    HA   GLN  78           HA       GLN  78   5.172 -15.660   1.747
  587    HB2  GLN  78           HB2      GLN  78   6.823 -14.887   3.297
  588    HB3  GLN  78           HB3      GLN  78   6.829 -13.273   2.587
  589    HG2  GLN  78           HG2      GLN  78   4.130 -13.900   3.424
  590    HG3  GLN  78           HG3      GLN  78   5.251 -14.244   4.755
  591   HE21  GLN  78          HE21      GLN  78   5.025 -11.774   2.122
  592   HE22  GLN  78          HE22      GLN  78   5.189 -10.393   3.191
  593    H    VAL  79           H        VAL  79   3.117 -15.131   1.416
  594    HA   VAL  79           HA       VAL  79   2.297 -13.377  -0.685
  595    HB   VAL  79           HB       VAL  79   0.697 -14.561   1.625
  596   HG11  VAL  79          HG11      VAL  79  -1.189 -14.412   0.018
  597   HG12  VAL  79          HG12      VAL  79  -0.528 -12.815   0.405
  598   HG13  VAL  79          HG13      VAL  79  -0.112 -13.597  -1.144
  599   HG21  VAL  79          HG21      VAL  79   1.903 -16.324   0.398
  600   HG22  VAL  79          HG22      VAL  79   0.170 -16.385   0.035
  601   HG23  VAL  79          HG23      VAL  79   1.289 -15.670  -1.150
  602    H    LEU  80           H        LEU  80   1.530 -11.319  -0.709
  603    HA   LEU  80           HA       LEU  80   1.867  -9.755   1.789
  604    HB2  LEU  80           HB2      LEU  80   1.253  -8.771  -1.018
  605    HB3  LEU  80           HB3      LEU  80   1.697  -7.799   0.389
  606    HG   LEU  80           HG       LEU  80   3.456  -9.794  -1.095
  607   HD11  LEU  80          HD11      LEU  80   3.562  -6.786  -0.611
  608   HD12  LEU  80          HD12      LEU  80   4.844  -7.732  -1.391
  609   HD13  LEU  80          HD13      LEU  80   3.240  -7.601  -2.158
  610   HD21  LEU  80          HD21      LEU  80   5.228  -9.137   0.502
  611   HD22  LEU  80          HD22      LEU  80   4.022  -8.212   1.440
  612   HD23  LEU  80          HD23      LEU  80   3.904  -9.989   1.313
  613    H    ASP  81           H        ASP  81   0.258  -8.285   2.531
  614    HA   ASP  81           HA       ASP  81  -2.497  -8.904   1.588
  615    HB2  ASP  81           HB2      ASP  81  -1.961  -9.878   3.859
  616    HB3  ASP  81           HB3      ASP  81  -1.726  -8.227   4.440
  617    H    ILE  82           H        ILE  82  -2.992  -7.192   0.363
  618    HA   ILE  82           HA       ILE  82  -2.023  -4.497   1.210
  619    HB   ILE  82           HB       ILE  82  -2.292  -5.766  -1.506
  620   HG12  ILE  82          HG12      ILE  82   0.115  -4.488  -0.173
  621   HG13  ILE  82          HG11      ILE  82  -0.285  -6.188   0.133
  622   HG21  ILE  82          HG21      ILE  82  -1.519  -2.899  -0.791
  623   HG22  ILE  82          HG22      ILE  82  -1.460  -3.622  -2.412
  624   HG23  ILE  82          HG23      ILE  82  -3.024  -3.386  -1.605
  625   HD11  ILE  82          HD11      ILE  82   0.192  -5.032  -2.623
  626   HD12  ILE  82          HD12      ILE  82   1.370  -5.966  -1.660
  627   HD13  ILE  82          HD13      ILE  82  -0.143  -6.736  -2.187
  628    H    ASN  83           H        ASN  83  -3.488  -2.814   1.228
  629    HA   ASN  83           HA       ASN  83  -6.079  -3.064  -0.086
  630    HB2  ASN  83           HB2      ASN  83  -7.387  -2.785   1.983
  631    HB3  ASN  83           HB3      ASN  83  -6.518  -4.323   1.959
  632   HD21  ASN  83          HD21      ASN  83  -6.532  -1.010   3.325
  633   HD22  ASN  83          HD22      ASN  83  -5.584  -1.401   4.733
  634    H    LEU  84           H        LEU  84  -7.397  -1.090   0.175
  635    HA   LEU  84           HA       LEU  84  -5.974   1.309  -0.142
  636    HB2  LEU  84           HB2      LEU  84  -8.389   0.480  -0.744
  637    HB3  LEU  84           HB3      LEU  84  -8.826   1.017   0.872
  638    HG   LEU  84           HG       LEU  84  -9.415   2.617  -0.856
  639   HD11  LEU  84          HD11      LEU  84  -8.760   3.443   1.418
  640   HD12  LEU  84          HD12      LEU  84  -7.125   3.776   0.774
  641   HD13  LEU  84          HD13      LEU  84  -8.542   4.623   0.117
  642   HD21  LEU  84          HD21      LEU  84  -7.601   2.049  -2.457
  643   HD22  LEU  84          HD22      LEU  84  -7.762   3.795  -2.187
  644   HD23  LEU  84          HD23      LEU  84  -6.438   2.901  -1.409
  645    H    ALA  85           H        ALA  85  -5.216   2.816   1.356
  646    HA   ALA  85           HA       ALA  85  -4.764   1.986   4.009
  647    HB1  ALA  85           HB1      ALA  85  -4.560   4.758   2.793
  648    HB2  ALA  85           HB2      ALA  85  -3.754   4.204   4.269
  649    HB3  ALA  85           HB3      ALA  85  -3.307   3.488   2.703
  650    H    ALA  86           H        ALA  86  -7.746   2.972   2.913
  651    HA   ALA  86           HA       ALA  86  -8.447   3.992   5.616
  652    HB1  ALA  86           HB1      ALA  86  -9.994   5.587   4.596
  653    HB2  ALA  86           HB2      ALA  86  -8.350   5.859   3.968
  654    HB3  ALA  86           HB3      ALA  86  -9.552   5.016   2.970
  655    H    GLU  87           H        GLU  87  -8.744   1.435   3.610
  656    HA   GLU  87           HA       GLU  87 -11.361   0.699   4.772
  657    HB2  GLU  87           HB2      GLU  87 -10.681   0.433   1.819
  658    HB3  GLU  87           HB3      GLU  87 -12.098  -0.267   2.626
  659    HG2  GLU  87           HG2      GLU  87 -12.787   2.041   3.309
  660    HG3  GLU  87           HG3      GLU  87 -11.460   2.689   2.318
  661    HA   PRO  88           HA       PRO  88  -8.018  -2.575   5.130
  662    HB2  PRO  88           HB2      PRO  88  -8.364  -3.000   7.821
  663    HB3  PRO  88           HB3      PRO  88  -7.253  -1.769   7.152
  664    HG2  PRO  88           HG2      PRO  88 -10.079  -1.362   8.155
  665    HG3  PRO  88           HG3      PRO  88  -8.616  -0.383   8.522
  666    HD2  PRO  88           HD2      PRO  88 -10.398   0.390   6.637
  667    HD3  PRO  88           HD3      PRO  88  -8.637   0.618   6.388
  668    H    LYS  89           H        LYS  89  -8.412  -4.758   5.337
  669    HA   LYS  89           HA       LYS  89 -11.185  -5.421   4.717
  670    HB2  LYS  89           HB2      LYS  89 -10.112  -7.705   4.242
  671    HB3  LYS  89           HB3      LYS  89  -9.712  -6.341   3.187
  672    HG2  LYS  89           HG2      LYS  89  -7.572  -6.010   4.250
  673    HG3  LYS  89           HG3      LYS  89  -7.941  -7.166   5.527
  674    HD2  LYS  89           HD2      LYS  89  -6.525  -8.299   4.022
  675    HD3  LYS  89           HD3      LYS  89  -8.146  -8.959   3.739
  676    HE2  LYS  89           HE2      LYS  89  -8.402  -7.543   1.743
  677    HE3  LYS  89           HE3      LYS  89  -6.846  -6.763   2.073
  678    HZ1  LYS  89           HZ1      LYS  89  -5.795  -8.911   1.820
  679    HZ2  LYS  89           HZ2      LYS  89  -7.229  -9.609   1.435
  680    HZ3  LYS  89           HZ3      LYS  89  -6.574  -8.481   0.443
  681    H    VAL  90           H        VAL  90  -9.246  -7.819   6.305
  682    HA   VAL  90           HA       VAL  90 -10.924  -7.700   8.759
  683    HB   VAL  90           HB       VAL  90 -10.797 -10.034   6.804
  684   HG11  VAL  90          HG11      VAL  90 -12.033  -9.868   9.578
  685   HG12  VAL  90          HG12      VAL  90 -12.309 -11.186   8.413
  686   HG13  VAL  90          HG13      VAL  90 -10.687 -10.915   9.071
  687   HG21  VAL  90          HG21      VAL  90 -12.458  -8.332   6.167
  688   HG22  VAL  90          HG22      VAL  90 -13.270  -9.782   6.770
  689   HG23  VAL  90          HG23      VAL  90 -13.129  -8.349   7.816
  690    H    ASN  91           H        ASN  91  -8.146  -9.031   6.960
  691    HA   ASN  91           HA       ASN  91  -7.194 -10.389   9.395
  692    HB2  ASN  91           HB2      ASN  91  -6.264 -10.476   6.511
  693    HB3  ASN  91           HB3      ASN  91  -5.491 -11.358   7.842
  694   HD21  ASN  91          HD21      ASN  91  -8.378 -11.148   5.791
  695   HD22  ASN  91          HD22      ASN  91  -9.047 -12.691   6.279
  696    H    ARG  92           H        ARG  92  -7.025  -7.270   8.538
  697    HA   ARG  92           HA       ARG  92  -4.179  -6.778   8.715
  698    HB2  ARG  92           HB2      ARG  92  -5.910  -5.284   7.675
  699    HB3  ARG  92           HB3      ARG  92  -6.431  -4.818   9.303
  700    HG2  ARG  92           HG2      ARG  92  -3.511  -4.718   8.500
  701    HG3  ARG  92           HG3      ARG  92  -4.609  -3.429   7.978
  702    HD2  ARG  92           HD2      ARG  92  -3.980  -4.204  10.858
  703    HD3  ARG  92           HD3      ARG  92  -3.348  -2.808   9.972
  704    HE   ARG  92           HE       ARG  92  -6.208  -2.743   9.941
  705   HH11  ARG  92          HH11      ARG  92  -3.428  -2.296  12.085
  706   HH12  ARG  92          HH12      ARG  92  -4.253  -1.147  13.113
  707   HH21  ARG  92          HH21      ARG  92  -7.263  -1.228  11.307
  708   HH22  ARG  92          HH22      ARG  92  -6.421  -0.554  12.680
  709    H    GLY  93           H        GLY  93  -3.590  -8.125  10.504
  710    HA2  GLY  93           HA2      GLY  93  -3.568  -6.741  12.993
  711    HA3  GLY  93           HA3      GLY  93  -4.756  -8.081  13.048
  712    H    LYS  94           H        LYS  94  -1.558  -7.832  11.481
  713    HA   LYS  94           HA       LYS  94   0.375  -8.982  11.682
  714    HB2  LYS  94           HB2      LYS  94  -0.441  -9.451  14.550
  715    HB3  LYS  94           HB3      LYS  94   1.188  -9.540  13.869
  716    HG2  LYS  94           HG2      LYS  94   0.987  -7.116  13.188
  717    HG3  LYS  94           HG3      LYS  94  -0.562  -7.047  14.067
  718    HD2  LYS  94           HD2      LYS  94   0.598  -7.757  16.138
  719    HD3  LYS  94           HD3      LYS  94   2.139  -7.799  15.237
  720    HE2  LYS  94           HE2      LYS  94   1.899  -5.387  14.723
  721    HE3  LYS  94           HE3      LYS  94   0.365  -5.349  15.612
  722    HZ1  LYS  94           HZ1      LYS  94   2.991  -5.999  16.778
  723    HZ2  LYS  94           HZ2      LYS  94   2.192  -4.575  16.953
  724    HZ3  LYS  94           HZ3      LYS  94   1.564  -5.952  17.594
  725    H    ALA  95           H        ALA  95  -2.522 -10.651  11.828
  726    HA   ALA  95           HA       ALA  95  -1.184 -13.184  11.217
  727    HB1  ALA  95           HB1      ALA  95  -3.041 -12.910  13.615
  728    HB2  ALA  95           HB2      ALA  95  -2.332 -14.427  13.009
  729    HB3  ALA  95           HB3      ALA  95  -1.286 -13.166  13.703
  730    H    GLY  96           H        GLY  96  -2.724 -14.835  10.490
  731    HA2  GLY  96           HA2      GLY  96  -5.447 -14.684  10.223
  732    HA3  GLY  96           HA3      GLY  96  -4.851 -13.678   8.880
  733    H    VAL  97           H        VAL  97  -2.352 -15.592   8.916
  734    HA   VAL  97           HA       VAL  97  -3.637 -18.041   7.876
  735    HB   VAL  97           HB       VAL  97  -3.133 -16.503   5.996
  736   HG11  VAL  97          HG11      VAL  97  -0.825 -16.085   5.324
  737   HG12  VAL  97          HG12      VAL  97  -1.121 -15.391   6.930
  738   HG13  VAL  97          HG13      VAL  97  -0.214 -16.914   6.767
  739   HG21  VAL  97          HG21      VAL  97  -1.974 -18.162   4.618
  740   HG22  VAL  97          HG22      VAL  97  -1.400 -19.001   6.075
  741   HG23  VAL  97          HG23      VAL  97  -3.141 -18.957   5.699
  742    H    LYS  98           H        LYS  98  -2.591 -19.884   8.411
  743    HA   LYS  98           HA       LYS  98  -0.066 -19.609   9.980
  744    HB2  LYS  98           HB2      LYS  98  -2.365 -21.551  10.454
  745    HB3  LYS  98           HB3      LYS  98  -0.884 -21.443  11.407
  746    HG2  LYS  98           HG2      LYS  98  -2.985 -19.246  11.150
  747    HG3  LYS  98           HG3      LYS  98  -2.794 -20.352  12.515
  748    HD2  LYS  98           HD2      LYS  98  -0.494 -19.458  12.899
  749    HD3  LYS  98           HD3      LYS  98  -0.740 -18.312  11.561
  750    HE2  LYS  98           HE2      LYS  98  -1.179 -17.178  13.657
  751    HE3  LYS  98           HE3      LYS  98  -2.691 -17.349  12.753
  752    HZ1  LYS  98           HZ1      LYS  98  -2.959 -17.908  15.064
  753    HZ2  LYS  98           HZ2      LYS  98  -3.223 -19.239  14.138
  754    HZ3  LYS  98           HZ3      LYS  98  -1.813 -19.080  14.976
  755    H    ARG  99           H        ARG  99  -0.800 -20.405   7.050
  756    HA   ARG  99           HA       ARG  99   1.041 -22.732   6.960
  757    HB2  ARG  99           HB2      ARG  99  -0.412 -23.870   5.388
  758    HB3  ARG  99           HB3      ARG  99  -1.147 -23.690   6.993
  759    HG2  ARG  99           HG2      ARG  99  -2.492 -21.792   6.187
  760    HG3  ARG  99           HG3      ARG  99  -1.742 -21.940   4.570
  761    HD2  ARG  99           HD2      ARG  99  -2.511 -24.284   4.451
  762    HD3  ARG  99           HD3      ARG  99  -3.274 -24.105   6.046
  763    HE   ARG  99           HE       ARG  99  -4.268 -22.075   4.292
  764   HH11  ARG  99          HH11      ARG  99  -4.478 -25.564   4.813
  765   HH12  ARG  99          HH12      ARG  99  -6.075 -25.696   4.116
  766   HH21  ARG  99          HH21      ARG  99  -6.350 -22.272   3.377
  767   HH22  ARG  99          HH22      ARG  99  -7.127 -23.836   3.298
  768    H    SER 100           H        SER 100   1.720 -23.137   4.617
  769    HA   SER 100           HA       SER 100   2.660 -20.684   3.442
  770    HB2  SER 100           HB2      SER 100   2.627 -23.586   2.548
  771    HB3  SER 100           HB3      SER 100   3.427 -22.295   1.636
  772    HG   SER 100           HG       SER 100   4.848 -23.356   3.098
  773    H    ALA 101           H        ALA 101  -0.331 -22.290   3.268
  774    HA   ALA 101           HA       ALA 101  -2.081 -22.346   1.866
  775    HB1  ALA 101           HB1      ALA 101  -1.108 -19.568   1.113
  776    HB2  ALA 101           HB2      ALA 101  -2.749 -20.202   0.896
  777    HB3  ALA 101           HB3      ALA 101  -2.092 -19.982   2.538
  778    H    ALA 102           H        ALA 102   0.761 -23.010   0.685
  779    HA   ALA 102           HA       ALA 102  -0.266 -23.551  -2.019
  780    HB1  ALA 102           HB1      ALA 102   2.345 -22.076  -1.493
  781    HB2  ALA 102           HB2      ALA 102   1.762 -22.632  -3.079
  782    HB3  ALA 102           HB3      ALA 102   0.870 -21.371  -2.204
  783    H    GLU 103           H        GLU 103   0.859 -24.804   0.706
  784    HA   GLU 103           HA       GLU 103   3.102 -26.386  -0.221
  785    HB2  GLU 103           HB2      GLU 103   2.910 -27.425   2.020
  786    HB3  GLU 103           HB3      GLU 103   2.959 -25.651   2.078
  787    HG2  GLU 103           HG2      GLU 103   0.463 -25.619   2.273
  788    HG3  GLU 103           HG3      GLU 103   0.454 -27.387   2.289
  789    H    MET 104           H        MET 104  -0.126 -26.603  -0.934
  790    HA   MET 104           HA       MET 104   0.026 -29.556  -1.255
  791    HB2  MET 104           HB2      MET 104  -2.381 -29.664  -0.804
  792    HB3  MET 104           HB3      MET 104  -1.467 -29.003   0.569
  793    HG2  MET 104           HG2      MET 104  -2.103 -26.706  -0.114
  794    HG3  MET 104           HG3      MET 104  -2.983 -27.359  -1.495
  795    HE1  MET 104           HE1      MET 104  -2.806 -26.961   2.388
  796    HE2  MET 104           HE2      MET 104  -4.220 -27.895   2.942
  797    HE3  MET 104           HE3      MET 104  -2.822 -28.732   2.238
  798    H    TYR 105           H        TYR 105   0.282 -26.855  -2.972
  799    HA   TYR 105           HA       TYR 105  -1.204 -28.005  -5.292
  800    HB2  TYR 105           HB2      TYR 105  -0.695 -25.061  -4.777
  801    HB3  TYR 105           HB3      TYR 105  -1.653 -25.763  -6.074
  802    HD1  TYR 105           HD1      TYR 105  -3.591 -27.461  -5.091
  803    HD2  TYR 105           HD2      TYR 105  -1.869 -24.081  -3.071
  804    HE1  TYR 105           HE1      TYR 105  -5.619 -27.286  -3.663
  805    HE2  TYR 105           HE2      TYR 105  -3.876 -23.904  -1.626
  806    HH   TYR 105           HH       TYR 105  -5.943 -24.777  -1.128
  807    H    GLY 106           H        GLY 106   1.801 -27.255  -3.958
  808    HA2  GLY 106           HA2      GLY 106   3.226 -26.301  -6.264
  809    HA3  GLY 106           HA3      GLY 106   3.927 -27.019  -4.805
  810    H5'    U   1           H5'        U   1   3.377  -6.508   9.582
  811   H5''    U   1          H5''        U   1   3.256  -5.632  11.122
  812    H4'    U   1           H4'        U   1   2.194  -4.334   9.381
  813    H3'    U   1           H3'        U   1   0.939  -4.929  11.752
  814    H2'    U   1           H2'        U   1  -0.322  -6.717  10.856
  815   HO2'    U   1          HO2'        U   1  -1.732  -4.551  11.293
  816    H1'    U   1           H1'        U   1  -0.781  -5.029   8.372
  817    H3     U   1           H3         U   1  -3.202  -8.215   6.253
  818    H5     U   1           H5         U   1  -1.098 -10.402   9.156
  819    H6     U   1           H6         U   1   0.073  -8.370   9.742
  820    H5'    U   2           H5'        U   2   1.004  -0.834   9.693
  821   H5''    U   2          H5''        U   2   1.240  -0.285  11.363
  822    H4'    U   2           H4'        U   2   0.993   1.652   9.945
  823    H3'    U   2           H3'        U   2  -0.619   1.186  12.219
  824    H2'    U   2           H2'        U   2  -2.532   0.621  10.940
  825   HO2'    U   2          HO2'        U   2  -3.046   2.502  12.216
  826    H1'    U   2           H1'        U   2  -1.687   2.836   9.058
  827    H3     U   2           H3         U   2  -5.088   2.451   6.173
  828    H5     U   2           H5         U   2  -4.895  -1.391   7.854
  829    H6     U   2           H6         U   2  -3.045  -0.637   9.232
  830    H5'    U   3           H5'        U   3   2.702   2.324  10.562
  831   H5''    U   3          H5''        U   3   3.626   2.958  11.931
  832    H4'    U   3           H4'        U   3   4.949   3.396  10.019
  833    H3'    U   3           H3'        U   3   4.159   5.471  11.629
  834    H2'    U   3           H2'        U   3   2.345   6.212  10.295
  835   HO2'    U   3          HO2'        U   3   4.361   7.767  10.207
  836    H1'    U   3           H1'        U   3   3.919   5.757   7.768
  837    H3     U   3           H3         U   3   0.379   6.593   5.152
  838    H5     U   3           H5         U   3  -1.396   4.942   8.595
  839    H6     U   3           H6         U   3   0.820   4.718   9.550
  840    H5'    U   4           H5'        U   4   8.083   4.898   9.688
  841   H5''    U   4          H5''        U   4   9.253   5.597  10.816
  842    H4'    U   4           H4'        U   4  10.138   5.079   8.522
  843    H3'    U   4           H3'        U   4  10.887   7.163  10.131
  844    H2'    U   4           H2'        U   4   9.207   8.681   9.295
  845   HO2'    U   4          HO2'        U   4  10.388  10.099   7.832
  846    H1'    U   4           H1'        U   4   9.928   7.849   6.482
  847    H3     U   4           H3         U   4   7.180  11.462   5.684
  848    H5     U   4           H5         U   4   4.696   8.501   7.323
  849    H6     U   4           H6         U   4   6.682   7.218   7.866
  850    H5'    C   5           H5'        C   5  14.137   8.364   9.076
  851   H5''    C   5          H5''        C   5  15.439   7.170   8.892
  852    H4'    C   5           H4'        C   5  14.581   8.341  11.576
  853    H3'    C   5           H3'        C   5  16.822   9.135   9.681
  854    H2'    C   5           H2'        C   5  18.078   9.736  11.606
  855   HO2'    C   5          HO2'        C   5  16.281  10.853  12.614
  856    H1'    C   5           H1'        C   5  17.008   7.676  13.207
  857    H41    C   5           H41        C   5  22.545   5.674  10.127
  858    H42    C   5           H42        C   5  22.972   5.784  11.824
  859    H5     C   5           H5         C   5  21.408   6.601  13.519
  860    H6     C   5           H6         C   5  19.160   7.415  13.900
  Start of MODEL   11
    1    H1   ALA   2           H1       ALA   2  11.700   8.855  -5.611
    2    H2   ALA   2           H2       ALA   2  11.161   7.453  -4.916
    3    H3   ALA   2           H3       ALA   2  10.676   7.858  -6.446
    4    HA   ALA   2           HA       ALA   2   9.505   9.768  -5.635
    5    HB1  ALA   2           HB1      ALA   2   8.740   7.193  -4.207
    6    HB2  ALA   2           HB2      ALA   2   7.669   8.576  -4.543
    7    HB3  ALA   2           HB3      ALA   2   8.323   7.612  -5.884
    8    H    SER   3           H        SER   3   8.349  10.599  -3.582
    9    HA   SER   3           HA       SER   3  10.344  11.458  -1.724
   10    HB2  SER   3           HB2      SER   3   8.369  12.791  -2.339
   11    HB3  SER   3           HB3      SER   3   7.312  11.582  -1.567
   12    HG   SER   3           HG       SER   3   7.834  13.379  -0.206
   13    H    ASN   4           H        ASN   4  10.282  11.137   0.635
   14    HA   ASN   4           HA       ASN   4   9.829   8.305   1.306
   15    HB2  ASN   4           HB2      ASN   4  11.135   8.872   3.331
   16    HB3  ASN   4           HB3      ASN   4  11.988   9.311   1.844
   17   HD21  ASN   4          HD21      ASN   4  10.222  10.567   4.673
   18   HD22  ASN   4          HD22      ASN   4  10.772  12.220   4.499
   19    H    VAL   5           H        VAL   5   7.865  10.918   1.232
   20    HA   VAL   5           HA       VAL   5   6.657  10.502   3.904
   21    HB   VAL   5           HB       VAL   5   6.201  12.608   1.764
   22   HG11  VAL   5          HG11      VAL   5   5.104  12.434   4.601
   23   HG12  VAL   5          HG12      VAL   5   4.900  13.799   3.484
   24   HG13  VAL   5          HG13      VAL   5   4.150  12.233   3.110
   25   HG21  VAL   5          HG21      VAL   5   7.573  12.689   4.488
   26   HG22  VAL   5          HG22      VAL   5   8.387  12.786   2.910
   27   HG23  VAL   5          HG23      VAL   5   7.303  14.092   3.431
   28    H    THR   6           H        THR   6   4.703   9.624   4.254
   29    HA   THR   6           HA       THR   6   2.910   9.044   1.983
   30    HB   THR   6           HB       THR   6   2.670   6.679   2.727
   31    HG1  THR   6           HG1      THR   6   3.540   6.812   4.784
   32   HG21  THR   6          HG21      THR   6   5.510   7.373   1.888
   33   HG22  THR   6          HG22      THR   6   4.685   5.816   1.683
   34   HG23  THR   6          HG23      THR   6   4.102   7.238   0.796
   35    H    ASN   7           H        ASN   7   3.215  10.347   5.032
   36    HA   ASN   7           HA       ASN   7   0.650   9.181   5.970
   37    HB2  ASN   7           HB2      ASN   7   2.615   9.156   7.470
   38    HB3  ASN   7           HB3      ASN   7   2.633  10.927   7.460
   39   HD21  ASN   7          HD21      ASN   7   2.451   9.704   9.858
   40   HD22  ASN   7          HD22      ASN   7   0.834   9.864  10.515
   41    H    LYS   8           H        LYS   8  -1.056  10.166   5.165
   42    HA   LYS   8           HA       LYS   8  -1.388  13.085   5.493
   43    HB2  LYS   8           HB2      LYS   8  -1.809  11.617   2.860
   44    HB3  LYS   8           HB3      LYS   8  -2.337  13.270   3.209
   45    HG2  LYS   8           HG2      LYS   8   0.039  13.894   3.689
   46    HG3  LYS   8           HG3      LYS   8   0.542  12.259   3.190
   47    HD2  LYS   8           HD2      LYS   8  -0.489  12.619   0.972
   48    HD3  LYS   8           HD3      LYS   8  -0.953  14.267   1.457
   49    HE2  LYS   8           HE2      LYS   8   1.900  13.201   1.364
   50    HE3  LYS   8           HE3      LYS   8   1.143  14.172   0.090
   51    HZ1  LYS   8           HZ1      LYS   8   0.862  15.943   1.689
   52    HZ2  LYS   8           HZ2      LYS   8   1.563  15.046   2.873
   53    HZ3  LYS   8           HZ3      LYS   8   2.450  15.523   1.577
   54    H    THR   9           H        THR   9  -3.707  13.685   5.439
   55    HA   THR   9           HA       THR   9  -5.503  11.352   5.881
   56    HB   THR   9           HB       THR   9  -6.459  12.509   7.854
   57    HG1  THR   9           HG1      THR   9  -5.758  14.600   7.428
   58   HG21  THR   9          HG21      THR   9  -3.464  11.972   8.082
   59   HG22  THR   9          HG22      THR   9  -4.658  11.922   9.391
   60   HG23  THR   9          HG23      THR   9  -4.735  10.725   8.086
   61    H    ASP  10           H        ASP  10  -5.099  13.553   3.707
   62    HA   ASP  10           HA       ASP  10  -7.590  15.050   3.884
   63    HB2  ASP  10           HB2      ASP  10  -5.672  14.703   1.549
   64    HB3  ASP  10           HB3      ASP  10  -6.925  15.933   1.688
   65    HA   PRO  11           HA       PRO  11 -10.528  12.501   2.216
   66    HB2  PRO  11           HB2      PRO  11 -11.183  14.553   0.116
   67    HB3  PRO  11           HB3      PRO  11 -12.258  13.783   1.337
   68    HG2  PRO  11           HG2      PRO  11 -11.402  16.315   1.709
   69    HG3  PRO  11           HG3      PRO  11 -11.408  15.152   3.082
   70    HD2  PRO  11           HD2      PRO  11  -9.086  15.929   1.299
   71    HD3  PRO  11           HD3      PRO  11  -9.156  15.848   3.087
   72    H    ARG  12           H        ARG  12  -7.980  13.394   0.101
   73    HA   ARG  12           HA       ARG  12  -8.670  11.101  -1.706
   74    HB2  ARG  12           HB2      ARG  12  -7.429  13.770  -2.434
   75    HB3  ARG  12           HB3      ARG  12  -7.412  12.325  -3.465
   76    HG2  ARG  12           HG2      ARG  12  -9.934  12.264  -3.306
   77    HG3  ARG  12           HG3      ARG  12  -9.857  13.872  -2.527
   78    HD2  ARG  12           HD2      ARG  12  -8.512  14.690  -4.444
   79    HD3  ARG  12           HD3      ARG  12  -8.659  13.092  -5.208
   80    HE   ARG  12           HE       ARG  12 -11.278  14.034  -4.644
   81   HH11  ARG  12          HH11      ARG  12  -8.547  14.838  -6.743
   82   HH12  ARG  12          HH12      ARG  12  -9.562  15.551  -7.978
   83   HH21  ARG  12          HH21      ARG  12 -12.571  14.963  -6.271
   84   HH22  ARG  12          HH22      ARG  12 -11.832  15.613  -7.716
   85    H    SER  13           H        SER  13  -6.196  13.082  -0.078
   86    HA   SER  13           HA       SER  13  -3.957  11.605  -1.049
   87    HB2  SER  13           HB2      SER  13  -4.178  13.255   1.490
   88    HB3  SER  13           HB3      SER  13  -2.690  12.805   0.638
   89    HG   SER  13           HG       SER  13  -3.423  14.912   0.092
   90    H    MET  14           H        MET  14  -6.335  10.732   1.360
   91    HA   MET  14           HA       MET  14  -4.429   8.650   2.281
   92    HB2  MET  14           HB2      MET  14  -5.418   8.554   4.295
   93    HB3  MET  14           HB3      MET  14  -5.585  10.278   3.908
   94    HG2  MET  14           HG2      MET  14  -7.925   9.948   3.307
   95    HG3  MET  14           HG3      MET  14  -7.763   8.198   3.504
   96    HE1  MET  14           HE1      MET  14  -7.178   7.824   7.388
   97    HE2  MET  14           HE2      MET  14  -7.100   7.021   5.810
   98    HE3  MET  14           HE3      MET  14  -5.846   8.188   6.278
   99    H    ASN  15           H        ASN  15  -6.717   9.024  -0.039
  100    HA   ASN  15           HA       ASN  15  -7.588   6.172   0.153
  101    HB2  ASN  15           HB2      ASN  15  -8.785   8.557  -1.306
  102    HB3  ASN  15           HB3      ASN  15  -9.332   6.889  -1.510
  103   HD21  ASN  15          HD21      ASN  15  -9.893   9.731   0.204
  104   HD22  ASN  15          HD22      ASN  15 -10.719   9.049   1.590
  105    H    SER  16           H        SER  16  -5.728   8.538  -1.659
  106    HA   SER  16           HA       SER  16  -5.197   6.690  -3.860
  107    HB2  SER  16           HB2      SER  16  -3.665   8.438  -4.615
  108    HB3  SER  16           HB3      SER  16  -5.246   9.137  -4.198
  109    HG   SER  16           HG       SER  16  -3.530  10.342  -3.318
  110    H    ARG  17           H        ARG  17  -4.317   6.758  -0.647
  111    HA   ARG  17           HA       ARG  17  -1.569   5.767  -1.099
  112    HB2  ARG  17           HB2      ARG  17  -2.011   7.331   0.760
  113    HB3  ARG  17           HB3      ARG  17  -3.133   6.152   1.478
  114    HG2  ARG  17           HG2      ARG  17  -1.380   4.568   1.865
  115    HG3  ARG  17           HG3      ARG  17  -0.256   5.448   0.804
  116    HD2  ARG  17           HD2      ARG  17   0.321   5.819   3.140
  117    HD3  ARG  17           HD3      ARG  17  -0.150   7.305   2.319
  118    HE   ARG  17           HE       ARG  17  -1.786   5.820   4.332
  119   HH11  ARG  17          HH11      ARG  17  -1.190   8.735   2.411
  120   HH12  ARG  17          HH12      ARG  17  -2.348   9.692   3.304
  121   HH21  ARG  17          HH21      ARG  17  -3.207   7.115   5.523
  122   HH22  ARG  17          HH22      ARG  17  -3.466   8.786   5.077
  123    H    VAL  18           H        VAL  18  -0.918   3.682  -0.513
  124    HA   VAL  18           HA       VAL  18  -3.098   1.698  -0.087
  125    HB   VAL  18           HB       VAL  18  -0.666   1.437  -1.896
  126   HG11  VAL  18          HG11      VAL  18  -2.857  -0.545  -1.170
  127   HG12  VAL  18          HG12      VAL  18  -1.649  -0.772  -2.454
  128   HG13  VAL  18          HG13      VAL  18  -1.128  -0.679  -0.759
  129   HG21  VAL  18          HG21      VAL  18  -3.671   1.588  -2.375
  130   HG22  VAL  18          HG22      VAL  18  -2.443   2.763  -2.914
  131   HG23  VAL  18          HG23      VAL  18  -2.492   1.122  -3.612
  132    H    PHE  19           H        PHE  19  -2.863   0.502   1.612
  133    HA   PHE  19           HA       PHE  19  -0.373   0.535   3.174
  134    HB2  PHE  19           HB2      PHE  19  -2.504   0.902   4.303
  135    HB3  PHE  19           HB3      PHE  19  -3.162  -0.578   3.610
  136    HD1  PHE  19           HD1      PHE  19   0.051   0.209   5.419
  137    HD2  PHE  19           HD2      PHE  19  -3.532  -2.154   5.217
  138    HE1  PHE  19           HE1      PHE  19   0.795  -1.081   7.402
  139    HE2  PHE  19           HE2      PHE  19  -2.786  -3.459   7.193
  140    HZ   PHE  19           HZ       PHE  19  -0.620  -2.925   8.285
  141    H    ILE  20           H        ILE  20   1.033  -1.151   3.289
  142    HA   ILE  20           HA       ILE  20   0.309  -3.667   1.858
  143    HB   ILE  20           HB       ILE  20   2.976  -2.226   1.992
  144   HG12  ILE  20          HG12      ILE  20   1.338  -2.835  -0.496
  145   HG13  ILE  20          HG11      ILE  20   1.138  -1.339   0.411
  146   HG21  ILE  20          HG21      ILE  20   3.258  -4.706   2.010
  147   HG22  ILE  20          HG22      ILE  20   2.214  -4.835   0.586
  148   HG23  ILE  20          HG23      ILE  20   3.790  -4.032   0.465
  149   HD11  ILE  20          HD11      ILE  20   3.551  -0.834   0.126
  150   HD12  ILE  20          HD12      ILE  20   3.746  -2.321  -0.828
  151   HD13  ILE  20          HD13      ILE  20   2.708  -1.014  -1.437
  152    H    GLY  21           H        GLY  21  -0.468  -4.480   3.843
  153    HA2  GLY  21           HA2      GLY  21   1.364  -4.720   6.113
  154    HA3  GLY  21           HA3      GLY  21  -0.293  -5.347   5.996
  155    H    ASN  22           H        ASN  22   1.438  -7.010   7.129
  156    HA   ASN  22           HA       ASN  22   2.552  -8.965   7.051
  157    HB2  ASN  22           HB2      ASN  22   0.200  -9.601   6.384
  158    HB3  ASN  22           HB3      ASN  22   0.724  -9.552   4.701
  159   HD21  ASN  22          HD21      ASN  22   0.068 -11.816   4.634
  160   HD22  ASN  22          HD22      ASN  22   1.206 -13.049   5.160
  161    H    LEU  23           H        LEU  23   4.118  -7.057   5.913
  162    HA   LEU  23           HA       LEU  23   5.156  -8.185   3.374
  163    HB2  LEU  23           HB2      LEU  23   4.610  -5.792   3.482
  164    HB3  LEU  23           HB3      LEU  23   5.719  -5.591   4.843
  165    HG   LEU  23           HG       LEU  23   7.623  -6.219   3.387
  166   HD11  LEU  23          HD11      LEU  23   5.513  -6.290   1.193
  167   HD12  LEU  23          HD12      LEU  23   7.271  -6.305   0.927
  168   HD13  LEU  23          HD13      LEU  23   6.496  -7.668   1.757
  169   HD21  LEU  23          HD21      LEU  23   6.898  -3.862   3.650
  170   HD22  LEU  23          HD22      LEU  23   7.617  -4.161   2.047
  171   HD23  LEU  23          HD23      LEU  23   5.849  -4.031   2.227
  172    H    ASN  24           H        ASN  24   7.337  -8.924   3.198
  173    HA   ASN  24           HA       ASN  24   8.310 -10.173   5.590
  174    HB2  ASN  24           HB2      ASN  24   8.601 -11.009   3.198
  175    HB3  ASN  24           HB3      ASN  24   9.775  -9.723   2.960
  176   HD21  ASN  24          HD21      ASN  24  11.688 -10.875   2.792
  177   HD22  ASN  24          HD22      ASN  24  12.288 -11.944   4.040
  178    H    THR  25           H        THR  25   9.223  -7.282   3.791
  179    HA   THR  25           HA       THR  25  10.664  -5.609   4.085
  180    HB   THR  25           HB       THR  25  10.630  -4.484   6.211
  181    HG1  THR  25           HG1      THR  25  10.815  -6.339   7.555
  182   HG21  THR  25          HG21      THR  25   8.178  -4.304   6.438
  183   HG22  THR  25          HG22      THR  25   8.668  -4.385   4.735
  184   HG23  THR  25          HG23      THR  25   7.979  -5.823   5.546
  185    H    LEU  26           H        LEU  26  11.779  -8.516   4.730
  186    HA   LEU  26           HA       LEU  26  14.394  -7.603   5.820
  187    HB2  LEU  26           HB2      LEU  26  12.877 -10.165   5.707
  188    HB3  LEU  26           HB3      LEU  26  14.624 -10.291   5.472
  189    HG   LEU  26           HG       LEU  26  15.048  -9.104   7.575
  190   HD11  LEU  26          HD11      LEU  26  12.034  -9.198   7.973
  191   HD12  LEU  26          HD12      LEU  26  13.230  -8.688   9.182
  192   HD13  LEU  26          HD13      LEU  26  12.999  -7.724   7.709
  193   HD21  LEU  26          HD21      LEU  26  14.856 -11.572   7.538
  194   HD22  LEU  26          HD22      LEU  26  14.286 -10.907   9.084
  195   HD23  LEU  26          HD23      LEU  26  13.109 -11.437   7.861
  196    H    VAL  27           H        VAL  27  12.810  -8.312   2.855
  197    HA   VAL  27           HA       VAL  27  15.460  -8.392   1.470
  198    HB   VAL  27           HB       VAL  27  12.920  -9.898   0.734
  199   HG11  VAL  27          HG11      VAL  27  15.653  -9.820  -0.607
  200   HG12  VAL  27          HG12      VAL  27  14.336 -10.945  -1.012
  201   HG13  VAL  27          HG13      VAL  27  14.119  -9.209  -1.280
  202   HG21  VAL  27          HG21      VAL  27  15.645 -10.887   1.689
  203   HG22  VAL  27          HG22      VAL  27  14.139 -10.930   2.635
  204   HG23  VAL  27          HG23      VAL  27  14.291 -11.916   1.170
  205    H    VAL  28           H        VAL  28  12.221  -7.067   1.703
  206    HA   VAL  28           HA       VAL  28  12.691  -5.489  -0.782
  207    HB   VAL  28           HB       VAL  28  10.156  -5.888   0.840
  208   HG11  VAL  28          HG11      VAL  28  10.626  -4.522  -1.845
  209   HG12  VAL  28          HG12      VAL  28   9.046  -4.841  -1.099
  210   HG13  VAL  28          HG13      VAL  28  10.160  -3.713  -0.317
  211   HG21  VAL  28          HG21      VAL  28   9.448  -7.192  -1.168
  212   HG22  VAL  28          HG22      VAL  28  11.087  -7.010  -1.840
  213   HG23  VAL  28          HG23      VAL  28  10.830  -7.939  -0.340
  214    H    LYS  29           H        LYS  29  12.619  -3.245  -0.780
  215    HA   LYS  29           HA       LYS  29  12.620  -1.876   1.866
  216    HB2  LYS  29           HB2      LYS  29  14.703  -1.427  -0.308
  217    HB3  LYS  29           HB3      LYS  29  14.575  -0.597   1.244
  218    HG2  LYS  29           HG2      LYS  29  16.215  -2.096   1.750
  219    HG3  LYS  29           HG3      LYS  29  14.807  -3.038   2.247
  220    HD2  LYS  29           HD2      LYS  29  14.862  -4.215   0.022
  221    HD3  LYS  29           HD3      LYS  29  16.256  -3.212  -0.439
  222    HE2  LYS  29           HE2      LYS  29  17.541  -4.140   1.458
  223    HE3  LYS  29           HE3      LYS  29  16.146  -5.135   1.920
  224    HZ1  LYS  29           HZ1      LYS  29  17.605  -5.299  -0.634
  225    HZ2  LYS  29           HZ2      LYS  29  17.713  -6.376   0.600
  226    HZ3  LYS  29           HZ3      LYS  29  16.302  -6.210  -0.227
  227    H    LYS  30           H        LYS  30  12.666   0.561   1.500
  228    HA   LYS  30           HA       LYS  30  10.364   1.286  -0.041
  229    HB2  LYS  30           HB2      LYS  30  10.901   3.568   0.772
  230    HB3  LYS  30           HB3      LYS  30  10.879   2.333   2.044
  231    HG2  LYS  30           HG2      LYS  30  13.512   2.227   1.418
  232    HG3  LYS  30           HG3      LYS  30  13.179   3.910   0.964
  233    HD2  LYS  30           HD2      LYS  30  12.523   2.580   3.631
  234    HD3  LYS  30           HD3      LYS  30  13.908   3.637   3.348
  235    HE2  LYS  30           HE2      LYS  30  12.364   5.497   2.764
  236    HE3  LYS  30           HE3      LYS  30  10.974   4.448   3.086
  237    HZ1  LYS  30           HZ1      LYS  30  13.015   5.242   5.053
  238    HZ2  LYS  30           HZ2      LYS  30  11.479   5.819   4.964
  239    HZ3  LYS  30           HZ3      LYS  30  11.741   4.246   5.358
  240    H    SER  31           H        SER  31  13.490   0.707  -1.071
  241    HA   SER  31           HA       SER  31  13.338   2.596  -3.352
  242    HB2  SER  31           HB2      SER  31  15.600   1.694  -3.846
  243    HB3  SER  31           HB3      SER  31  15.478   2.411  -2.212
  244    HG   SER  31           HG       SER  31  16.535   0.370  -2.215
  245    H    ASP  32           H        ASP  32  12.410  -0.557  -2.487
  246    HA   ASP  32           HA       ASP  32  12.474  -1.575  -5.282
  247    HB2  ASP  32           HB2      ASP  32  12.105  -2.844  -2.548
  248    HB3  ASP  32           HB3      ASP  32  11.806  -3.715  -4.047
  249    H    VAL  33           H        VAL  33  10.271  -0.717  -2.584
  250    HA   VAL  33           HA       VAL  33   7.916  -1.827  -3.773
  251    HB   VAL  33           HB       VAL  33   8.347   0.436  -1.796
  252   HG11  VAL  33          HG11      VAL  33   5.793  -1.111  -2.414
  253   HG12  VAL  33          HG12      VAL  33   5.997   0.129  -1.165
  254   HG13  VAL  33          HG13      VAL  33   6.107   0.578  -2.887
  255   HG21  VAL  33          HG21      VAL  33   7.684  -1.298  -0.138
  256   HG22  VAL  33          HG22      VAL  33   7.567  -2.492  -1.446
  257   HG23  VAL  33          HG23      VAL  33   9.144  -1.783  -1.029
  258    H    GLU  34           H        GLU  34   9.684   1.225  -4.195
  259    HA   GLU  34           HA       GLU  34   7.585   2.421  -5.810
  260    HB2  GLU  34           HB2      GLU  34   9.178   4.216  -6.185
  261    HB3  GLU  34           HB3      GLU  34   9.051   3.819  -4.460
  262    HG2  GLU  34           HG2      GLU  34  11.140   2.506  -4.590
  263    HG3  GLU  34           HG3      GLU  34  11.246   2.826  -6.330
  264    H    ALA  35           H        ALA  35   9.347  -0.202  -6.475
  265    HA   ALA  35           HA       ALA  35   9.431   0.458  -9.380
  266    HB1  ALA  35           HB1      ALA  35  11.313  -1.345  -7.805
  267    HB2  ALA  35           HB2      ALA  35  11.341  -1.091  -9.563
  268    HB3  ALA  35           HB3      ALA  35  11.711   0.260  -8.462
  269    H    ILE  36           H        ILE  36   8.012  -1.377  -6.911
  270    HA   ILE  36           HA       ILE  36   7.218  -3.555  -8.798
  271    HB   ILE  36           HB       ILE  36   7.182  -3.343  -5.764
  272   HG12  ILE  36          HG12      ILE  36   8.755  -5.258  -7.522
  273   HG13  ILE  36          HG11      ILE  36   9.400  -3.690  -7.019
  274   HG21  ILE  36          HG21      ILE  36   6.320  -5.643  -7.576
  275   HG22  ILE  36          HG22      ILE  36   6.466  -5.734  -5.808
  276   HG23  ILE  36          HG23      ILE  36   5.255  -4.678  -6.531
  277   HD11  ILE  36          HD11      ILE  36  10.180  -5.411  -5.485
  278   HD12  ILE  36          HD12      ILE  36   9.072  -4.320  -4.630
  279   HD13  ILE  36          HD13      ILE  36   8.519  -5.930  -5.153
  280    H    PHE  37           H        PHE  37   6.067  -0.818  -6.893
  281    HA   PHE  37           HA       PHE  37   3.268  -1.552  -7.567
  282    HB2  PHE  37           HB2      PHE  37   4.501   0.285  -5.495
  283    HB3  PHE  37           HB3      PHE  37   2.780   0.285  -5.874
  284    HD1  PHE  37           HD1      PHE  37   5.550  -1.879  -4.650
  285    HD2  PHE  37           HD2      PHE  37   1.306  -1.298  -4.932
  286    HE1  PHE  37           HE1      PHE  37   5.185  -3.782  -3.088
  287    HE2  PHE  37           HE2      PHE  37   0.938  -3.194  -3.372
  288    HZ   PHE  37           HZ       PHE  37   2.884  -4.436  -2.450
  289    H    SER  38           H        SER  38   5.840   0.325  -8.701
  290    HA   SER  38           HA       SER  38   4.399   2.712  -9.459
  291    HB2  SER  38           HB2      SER  38   6.411   3.127 -10.844
  292    HB3  SER  38           HB3      SER  38   6.820   2.695  -9.166
  293    HG   SER  38           HG       SER  38   8.056   1.554 -10.768
  294    H    LYS  39           H        LYS  39   4.447  -0.498 -10.664
  295    HA   LYS  39           HA       LYS  39   3.874   0.159 -13.438
  296    HB2  LYS  39           HB2      LYS  39   3.681  -2.254 -13.694
  297    HB3  LYS  39           HB3      LYS  39   5.119  -1.846 -12.731
  298    HG2  LYS  39           HG2      LYS  39   3.609  -2.172 -10.655
  299    HG3  LYS  39           HG3      LYS  39   2.465  -2.955 -11.763
  300    HD2  LYS  39           HD2      LYS  39   5.372  -3.725 -11.335
  301    HD3  LYS  39           HD3      LYS  39   3.988  -4.577 -10.633
  302    HE2  LYS  39           HE2      LYS  39   4.542  -4.287 -13.617
  303    HE3  LYS  39           HE3      LYS  39   4.871  -5.729 -12.647
  304    HZ1  LYS  39           HZ1      LYS  39   2.524  -5.875 -12.170
  305    HZ2  LYS  39           HZ2      LYS  39   2.212  -4.540 -13.079
  306    HZ3  LYS  39           HZ3      LYS  39   2.779  -5.907 -13.792
  307    H    TYR  40           H        TYR  40   2.003   0.133 -10.560
  308    HA   TYR  40           HA       TYR  40  -0.504  -0.301 -12.121
  309    HB2  TYR  40           HB2      TYR  40  -0.062  -0.265  -9.122
  310    HB3  TYR  40           HB3      TYR  40  -1.565  -0.669  -9.960
  311    HD1  TYR  40           HD1      TYR  40  -1.470  -2.669 -11.640
  312    HD2  TYR  40           HD2      TYR  40   1.459  -1.948  -8.574
  313    HE1  TYR  40           HE1      TYR  40  -0.713  -5.024 -11.822
  314    HE2  TYR  40           HE2      TYR  40   2.239  -4.293  -8.761
  315    HH   TYR  40           HH       TYR  40   1.890  -6.336  -9.733
  316    H    GLY  41           H        GLY  41   1.452   2.124 -10.593
  317    HA2  GLY  41           HA2      GLY  41  -0.204   4.187 -11.671
  318    HA3  GLY  41           HA3      GLY  41  -0.466   4.069  -9.923
  319    H    LYS  42           H        LYS  42   0.594   6.352 -11.210
  320    HA   LYS  42           HA       LYS  42   3.466   6.451 -10.957
  321    HB2  LYS  42           HB2      LYS  42   2.328   7.993 -12.426
  322    HB3  LYS  42           HB3      LYS  42   1.228   8.507 -11.137
  323    HG2  LYS  42           HG2      LYS  42   3.071   9.558  -9.918
  324    HG3  LYS  42           HG3      LYS  42   4.233   9.019 -11.157
  325    HD2  LYS  42           HD2      LYS  42   3.171  10.395 -12.842
  326    HD3  LYS  42           HD3      LYS  42   1.794  10.744 -11.774
  327    HE2  LYS  42           HE2      LYS  42   3.231  11.927 -10.213
  328    HE3  LYS  42           HE3      LYS  42   4.667  11.549 -11.192
  329    HZ1  LYS  42           HZ1      LYS  42   3.849  13.760 -11.629
  330    HZ2  LYS  42           HZ2      LYS  42   3.691  12.837 -12.978
  331    HZ3  LYS  42           HZ3      LYS  42   2.373  13.178 -12.069
  332    H    ILE  43           H        ILE  43   4.523   6.265  -9.075
  333    HA   ILE  43           HA       ILE  43   3.114   6.772  -6.567
  334    HB   ILE  43           HB       ILE  43   5.896   5.730  -7.205
  335   HG12  ILE  43          HG12      ILE  43   3.346   4.418  -6.169
  336   HG13  ILE  43          HG11      ILE  43   3.952   4.295  -7.830
  337   HG21  ILE  43          HG21      ILE  43   6.031   5.142  -4.818
  338   HG22  ILE  43          HG22      ILE  43   5.843   6.894  -5.004
  339   HG23  ILE  43          HG23      ILE  43   4.446   5.897  -4.532
  340   HD11  ILE  43          HD11      ILE  43   4.527   2.287  -6.570
  341   HD12  ILE  43          HD12      ILE  43   6.001   3.183  -7.002
  342   HD13  ILE  43          HD13      ILE  43   5.356   3.247  -5.337
  343    H    VAL  44           H        VAL  44   3.183   8.586  -5.432
  344    HA   VAL  44           HA       VAL  44   5.158  10.674  -6.199
  345    HB   VAL  44           HB       VAL  44   3.594  12.264  -5.169
  346   HG11  VAL  44          HG11      VAL  44   2.257  10.409  -7.182
  347   HG12  VAL  44          HG12      VAL  44   1.838  12.108  -6.866
  348   HG13  VAL  44          HG13      VAL  44   3.420  11.700  -7.570
  349   HG21  VAL  44          HG21      VAL  44   1.771   9.854  -4.787
  350   HG22  VAL  44          HG22      VAL  44   2.568  10.770  -3.482
  351   HG23  VAL  44          HG23      VAL  44   1.343  11.550  -4.503
  352    H    GLY  45           H        GLY  45   4.603   8.316  -3.863
  353    HA2  GLY  45           HA2      GLY  45   6.811   9.179  -2.267
  354    HA3  GLY  45           HA3      GLY  45   5.284   9.477  -1.414
  355    H    CYS  46           H        CYS  46   7.490   7.522  -0.862
  356    HA   CYS  46           HA       CYS  46   5.780   5.169  -0.478
  357    HB2  CYS  46           HB2      CYS  46   6.791   4.792  -2.709
  358    HB3  CYS  46           HB3      CYS  46   8.411   5.032  -2.020
  359    HG   CYS  46           HG       CYS  46   6.125   2.843  -1.064
  360    H    SER  47           H        SER  47   6.434   3.912   1.282
  361    HA   SER  47           HA       SER  47   9.072   4.360   2.458
  362    HB2  SER  47           HB2      SER  47   7.674   6.204   3.419
  363    HB3  SER  47           HB3      SER  47   6.560   4.974   4.066
  364    HG   SER  47           HG       SER  47   8.177   5.611   5.582
  365    H    VAL  48           H        VAL  48   9.672   2.720   3.885
  366    HA   VAL  48           HA       VAL  48   7.757   0.448   4.143
  367    HB   VAL  48           HB       VAL  48  10.721   0.345   3.491
  368   HG11  VAL  48          HG11      VAL  48   8.764  -1.903   4.133
  369   HG12  VAL  48          HG12      VAL  48  10.387  -2.123   3.437
  370   HG13  VAL  48          HG13      VAL  48  10.221  -1.459   5.063
  371   HG21  VAL  48          HG21      VAL  48   9.902  -0.830   1.468
  372   HG22  VAL  48          HG22      VAL  48   8.228  -0.624   2.026
  373   HG23  VAL  48          HG23      VAL  48   9.188   0.799   1.583
  374    H    HIS  49           H        HIS  49   7.858  -0.717   6.026
  375    HA   HIS  49           HA       HIS  49   9.395   0.462   8.287
  376    HB2  HIS  49           HB2      HIS  49   6.458  -0.328   8.253
  377    HB3  HIS  49           HB3      HIS  49   7.345   0.351   9.625
  378    HD2  HIS  49           HD2      HIS  49   6.029   1.374   6.108
  379    HE1  HIS  49           HE1      HIS  49   6.651   4.952   8.312
  380    HE2  HIS  49           HE2      HIS  49   5.746   3.976   6.138
  381    H    LYS  50           H        LYS  50   8.461  -1.309  10.258
  382    HA   LYS  50           HA       LYS  50   9.571  -3.859   9.258
  383    HB2  LYS  50           HB2      LYS  50   8.757  -2.954  12.045
  384    HB3  LYS  50           HB3      LYS  50   9.487  -4.522  11.650
  385    HG2  LYS  50           HG2      LYS  50  11.464  -3.351  10.697
  386    HG3  LYS  50           HG3      LYS  50  10.751  -1.793  11.173
  387    HD2  LYS  50           HD2      LYS  50  10.752  -2.504  13.543
  388    HD3  LYS  50           HD3      LYS  50  11.434  -4.076  13.067
  389    HE2  LYS  50           HE2      LYS  50  13.225  -2.666  13.884
  390    HE3  LYS  50           HE3      LYS  50  13.422  -2.916  12.143
  391    HZ1  LYS  50           HZ1      LYS  50  12.250  -0.528  13.401
  392    HZ2  LYS  50           HZ2      LYS  50  13.762  -0.630  12.763
  393    HZ3  LYS  50           HZ3      LYS  50  12.445  -0.756  11.783
  394    H    GLY  51           H        GLY  51   8.313  -5.341   8.403
  395    HA2  GLY  51           HA2      GLY  51   6.614  -6.896   8.304
  396    HA3  GLY  51           HA3      GLY  51   5.838  -6.135   9.702
  397    H    PHE  52           H        PHE  52   6.236  -3.511   7.740
  398    HA   PHE  52           HA       PHE  52   4.106  -4.108   5.826
  399    HB2  PHE  52           HB2      PHE  52   2.583  -2.427   6.622
  400    HB3  PHE  52           HB3      PHE  52   2.826  -3.644   7.863
  401    HD1  PHE  52           HD1      PHE  52   4.162  -3.108   9.906
  402    HD2  PHE  52           HD2      PHE  52   3.238  -0.125   6.947
  403    HE1  PHE  52           HE1      PHE  52   4.760  -1.325  11.520
  404    HE2  PHE  52           HE2      PHE  52   3.833   1.655   8.567
  405    HZ   PHE  52           HZ       PHE  52   4.600   1.060  10.848
  406    H    ALA  53           H        ALA  53   3.545  -2.080   4.550
  407    HA   ALA  53           HA       ALA  53   5.603   0.030   4.535
  408    HB1  ALA  53           HB1      ALA  53   5.070  -1.807   2.168
  409    HB2  ALA  53           HB2      ALA  53   6.030  -0.312   2.115
  410    HB3  ALA  53           HB3      ALA  53   6.576  -1.687   3.106
  411    H    PHE  54           H        PHE  54   5.022   1.649   2.726
  412    HA   PHE  54           HA       PHE  54   2.106   1.811   2.214
  413    HB2  PHE  54           HB2      PHE  54   3.801   3.688   3.850
  414    HB3  PHE  54           HB3      PHE  54   2.556   4.374   2.827
  415    HD1  PHE  54           HD1      PHE  54   0.178   3.367   2.986
  416    HD2  PHE  54           HD2      PHE  54   3.175   2.969   6.045
  417    HE1  PHE  54           HE1      PHE  54  -1.597   2.945   4.671
  418    HE2  PHE  54           HE2      PHE  54   1.405   2.508   7.714
  419    HZ   PHE  54           HZ       PHE  54  -0.980   2.508   7.035
  420    H    VAL  55           H        VAL  55   1.552   2.918   0.376
  421    HA   VAL  55           HA       VAL  55   3.711   4.161  -1.258
  422    HB   VAL  55           HB       VAL  55   1.694   2.073  -2.186
  423   HG11  VAL  55          HG11      VAL  55   3.713   3.740  -3.747
  424   HG12  VAL  55          HG12      VAL  55   2.792   2.366  -4.411
  425   HG13  VAL  55          HG13      VAL  55   1.940   3.830  -3.893
  426   HG21  VAL  55          HG21      VAL  55   3.703   1.142  -1.076
  427   HG22  VAL  55          HG22      VAL  55   3.720   0.806  -2.821
  428   HG23  VAL  55          HG23      VAL  55   4.735   2.111  -2.156
  429    H    GLN  56           H        GLN  56   3.035   5.969  -2.358
  430    HA   GLN  56           HA       GLN  56   0.186   6.753  -1.936
  431    HB2  GLN  56           HB2      GLN  56   1.956   7.953  -0.563
  432    HB3  GLN  56           HB3      GLN  56   2.675   8.498  -2.083
  433    HG2  GLN  56           HG2      GLN  56   1.342  10.313  -1.371
  434    HG3  GLN  56           HG3      GLN  56   0.373   9.532  -2.626
  435   HE21  GLN  56          HE21      GLN  56  -1.754   9.451  -2.071
  436   HE22  GLN  56          HE22      GLN  56  -2.353   9.233  -0.441
  437    H    TYR  57           H        TYR  57  -0.959   7.245  -3.733
  438    HA   TYR  57           HA       TYR  57   0.523   7.530  -6.307
  439    HB2  TYR  57           HB2      TYR  57  -2.294   6.561  -5.736
  440    HB3  TYR  57           HB3      TYR  57  -1.594   6.798  -7.345
  441    HD1  TYR  57           HD1      TYR  57   0.915   5.665  -7.488
  442    HD2  TYR  57           HD2      TYR  57  -2.433   4.311  -5.146
  443    HE1  TYR  57           HE1      TYR  57   1.856   3.366  -7.473
  444    HE2  TYR  57           HE2      TYR  57  -1.473   2.026  -5.107
  445    HH   TYR  57           HH       TYR  57   0.232   0.693  -5.742
  446    H    VAL  58           H        VAL  58  -1.032   8.725  -7.964
  447    HA   VAL  58           HA       VAL  58  -1.367  11.416  -6.939
  448    HB   VAL  58           HB       VAL  58  -1.927  10.092  -9.624
  449   HG11  VAL  58          HG11      VAL  58  -2.116  12.409 -10.509
  450   HG12  VAL  58          HG12      VAL  58  -3.442  12.000  -9.406
  451   HG13  VAL  58          HG13      VAL  58  -2.107  13.031  -8.838
  452   HG21  VAL  58          HG21      VAL  58   0.056  11.369 -10.325
  453   HG22  VAL  58          HG22      VAL  58   0.226  12.032  -8.686
  454   HG23  VAL  58          HG23      VAL  58   0.456  10.289  -8.976
  455    H    ASN  59           H        ASN  59  -3.538   8.659  -7.624
  456    HA   ASN  59           HA       ASN  59  -5.602  10.074  -6.135
  457    HB2  ASN  59           HB2      ASN  59  -7.194  10.345  -7.742
  458    HB3  ASN  59           HB3      ASN  59  -5.729  10.744  -8.664
  459   HD21  ASN  59          HD21      ASN  59  -4.694   8.482  -9.609
  460   HD22  ASN  59          HD22      ASN  59  -5.875   7.550 -10.496
  461    H    GLU  60           H        GLU  60  -7.683   8.694  -6.008
  462    HA   GLU  60           HA       GLU  60  -6.987   6.238  -4.797
  463    HB2  GLU  60           HB2      GLU  60  -8.936   7.605  -4.214
  464    HB3  GLU  60           HB3      GLU  60  -9.659   7.259  -5.803
  465    HG2  GLU  60           HG2      GLU  60  -9.729   4.845  -5.240
  466    HG3  GLU  60           HG3      GLU  60  -8.961   5.179  -3.679
  467    H    ARG  61           H        ARG  61  -7.947   6.935  -8.183
  468    HA   ARG  61           HA       ARG  61  -8.731   4.291  -8.864
  469    HB2  ARG  61           HB2      ARG  61  -9.187   6.115 -10.370
  470    HB3  ARG  61           HB3      ARG  61  -7.473   6.565 -10.438
  471    HG2  ARG  61           HG2      ARG  61  -8.214   5.411 -12.496
  472    HG3  ARG  61           HG3      ARG  61  -6.901   4.569 -11.661
  473    HD2  ARG  61           HD2      ARG  61  -8.540   2.947 -12.405
  474    HD3  ARG  61           HD3      ARG  61  -8.535   3.024 -10.640
  475    HE   ARG  61           HE       ARG  61 -10.697   3.924 -10.656
  476   HH11  ARG  61          HH11      ARG  61  -9.411   3.820 -13.958
  477   HH12  ARG  61          HH12      ARG  61 -10.954   4.189 -14.686
  478   HH21  ARG  61          HH21      ARG  61 -12.694   4.384 -11.650
  479   HH22  ARG  61          HH22      ARG  61 -12.797   4.497 -13.391
  480    H    ASN  62           H        ASN  62  -5.508   5.833  -8.668
  481    HA   ASN  62           HA       ASN  62  -4.134   3.548  -9.791
  482    HB2  ASN  62           HB2      ASN  62  -3.325   5.993  -8.200
  483    HB3  ASN  62           HB3      ASN  62  -2.149   4.731  -8.668
  484   HD21  ASN  62          HD21      ASN  62  -2.650   4.021 -11.147
  485   HD22  ASN  62          HD22      ASN  62  -2.665   5.379 -12.254
  486    H    ALA  63           H        ALA  63  -5.332   4.384  -6.591
  487    HA   ALA  63           HA       ALA  63  -3.691   2.424  -5.198
  488    HB1  ALA  63           HB1      ALA  63  -6.251   3.847  -4.357
  489    HB2  ALA  63           HB2      ALA  63  -5.150   2.951  -3.293
  490    HB3  ALA  63           HB3      ALA  63  -4.590   4.438  -4.086
  491    H    ARG  64           H        ARG  64  -6.943   2.514  -6.649
  492    HA   ARG  64           HA       ARG  64  -7.787  -0.059  -5.670
  493    HB2  ARG  64           HB2      ARG  64  -8.561   1.521  -8.167
  494    HB3  ARG  64           HB3      ARG  64  -9.426   0.097  -7.577
  495    HG2  ARG  64           HG2      ARG  64  -9.072   2.645  -5.947
  496    HG3  ARG  64           HG3      ARG  64 -10.474   2.300  -6.980
  497    HD2  ARG  64           HD2      ARG  64 -10.916   0.242  -5.661
  498    HD3  ARG  64           HD3      ARG  64  -9.563   0.664  -4.587
  499    HE   ARG  64           HE       ARG  64 -11.044   2.931  -4.495
  500   HH11  ARG  64          HH11      ARG  64 -11.989  -0.461  -4.106
  501   HH12  ARG  64          HH12      ARG  64 -13.329  -0.071  -3.053
  502   HH21  ARG  64          HH21      ARG  64 -12.748   3.394  -3.140
  503   HH22  ARG  64          HH22      ARG  64 -13.757   2.119  -2.484
  504    H    ALA  65           H        ALA  65  -5.728   0.981  -8.360
  505    HA   ALA  65           HA       ALA  65  -5.900  -1.575  -9.738
  506    HB1  ALA  65           HB1      ALA  65  -3.964   0.761 -10.013
  507    HB2  ALA  65           HB2      ALA  65  -4.148  -0.584 -11.163
  508    HB3  ALA  65           HB3      ALA  65  -5.485   0.560 -10.913
  509    H    ALA  66           H        ALA  66  -3.729  -0.082  -7.313
  510    HA   ALA  66           HA       ALA  66  -1.792  -2.261  -7.578
  511    HB1  ALA  66           HB1      ALA  66  -2.053  -0.010  -5.559
  512    HB2  ALA  66           HB2      ALA  66  -0.639  -1.071  -5.782
  513    HB3  ALA  66           HB3      ALA  66  -1.126   0.038  -7.083
  514    H    VAL  67           H        VAL  67  -4.452  -1.357  -5.343
  515    HA   VAL  67           HA       VAL  67  -3.952  -3.423  -3.415
  516    HB   VAL  67           HB       VAL  67  -6.429  -1.883  -4.254
  517   HG11  VAL  67          HG11      VAL  67  -6.093  -3.813  -1.917
  518   HG12  VAL  67          HG12      VAL  67  -7.455  -2.689  -2.132
  519   HG13  VAL  67          HG13      VAL  67  -7.212  -4.001  -3.292
  520   HG21  VAL  67          HG21      VAL  67  -6.054  -0.696  -2.152
  521   HG22  VAL  67          HG22      VAL  67  -4.716  -1.785  -1.733
  522   HG23  VAL  67          HG23      VAL  67  -4.544  -0.656  -3.096
  523    H    ALA  68           H        ALA  68  -5.620  -3.366  -6.575
  524    HA   ALA  68           HA       ALA  68  -6.480  -6.161  -6.165
  525    HB1  ALA  68           HB1      ALA  68  -6.905  -4.248  -8.493
  526    HB2  ALA  68           HB2      ALA  68  -7.661  -5.846  -8.287
  527    HB3  ALA  68           HB3      ALA  68  -8.040  -4.524  -7.157
  528    H    GLY  69           H        GLY  69  -3.699  -4.551  -7.322
  529    HA2  GLY  69           HA2      GLY  69  -3.098  -6.669  -9.315
  530    HA3  GLY  69           HA3      GLY  69  -2.283  -5.112  -9.136
  531    H    GLU  70           H        GLU  70  -2.364  -5.914  -6.001
  532    HA   GLU  70           HA       GLU  70   0.089  -7.632  -6.137
  533    HB2  GLU  70           HB2      GLU  70  -0.275  -4.942  -4.799
  534    HB3  GLU  70           HB3      GLU  70   1.028  -6.063  -4.383
  535    HG2  GLU  70           HG2      GLU  70   0.540  -5.060  -7.215
  536    HG3  GLU  70           HG3      GLU  70   1.617  -4.256  -6.070
  537    H    ASP  71           H        ASP  71  -2.882  -6.751  -4.420
  538    HA   ASP  71           HA       ASP  71  -2.186  -7.882  -1.907
  539    HB2  ASP  71           HB2      ASP  71  -4.194  -6.528  -2.240
  540    HB3  ASP  71           HB3      ASP  71  -4.856  -7.746  -3.347
  541    H    GLY  72           H        GLY  72  -1.519  -9.907  -1.470
  542    HA2  GLY  72           HA2      GLY  72  -1.767 -12.228  -1.330
  543    HA3  GLY  72           HA3      GLY  72  -2.991 -12.181  -2.612
  544    H    ARG  73           H        ARG  73  -0.263 -10.310  -3.459
  545    HA   ARG  73           HA       ARG  73   0.780 -12.318  -5.293
  546    HB2  ARG  73           HB2      ARG  73   2.202 -10.620  -6.078
  547    HB3  ARG  73           HB3      ARG  73   0.690  -9.802  -5.676
  548    HG2  ARG  73           HG2      ARG  73   1.994  -8.369  -4.495
  549    HG3  ARG  73           HG3      ARG  73   2.068  -9.655  -3.274
  550    HD2  ARG  73           HD2      ARG  73   4.313  -8.907  -3.780
  551    HD3  ARG  73           HD3      ARG  73   4.134 -10.524  -4.501
  552    HE   ARG  73           HE       ARG  73   3.638  -8.075  -6.115
  553   HH11  ARG  73          HH11      ARG  73   5.609 -11.004  -5.635
  554   HH12  ARG  73          HH12      ARG  73   6.368 -10.850  -7.199
  555   HH21  ARG  73          HH21      ARG  73   4.641  -7.938  -8.102
  556   HH22  ARG  73          HH22      ARG  73   5.838  -9.118  -8.589
  557    H    MET  74           H        MET  74   3.311 -12.707  -5.103
  558    HA   MET  74           HA       MET  74   3.827 -13.332  -2.230
  559    HB2  MET  74           HB2      MET  74   3.312 -15.274  -3.692
  560    HB3  MET  74           HB3      MET  74   4.750 -14.903  -4.663
  561    HG2  MET  74           HG2      MET  74   6.215 -15.349  -2.859
  562    HG3  MET  74           HG3      MET  74   4.916 -15.218  -1.659
  563    HE1  MET  74           HE1      MET  74   2.914 -18.458  -1.930
  564    HE2  MET  74           HE2      MET  74   3.268 -16.982  -0.997
  565    HE3  MET  74           HE3      MET  74   2.556 -16.862  -2.617
  566    H    ILE  75           H        ILE  75   5.432 -12.228  -1.369
  567    HA   ILE  75           HA       ILE  75   7.709 -11.456  -3.118
  568    HB   ILE  75           HB       ILE  75   5.803  -9.747  -1.745
  569   HG12  ILE  75          HG12      ILE  75   8.199  -9.265  -3.558
  570   HG13  ILE  75          HG11      ILE  75   6.545  -9.624  -4.084
  571   HG21  ILE  75          HG21      ILE  75   8.725  -9.315  -1.026
  572   HG22  ILE  75          HG22      ILE  75   7.379  -8.186  -0.710
  573   HG23  ILE  75          HG23      ILE  75   7.420  -9.752   0.105
  574   HD11  ILE  75          HD11      ILE  75   7.012  -7.229  -4.265
  575   HD12  ILE  75          HD12      ILE  75   5.765  -7.499  -3.038
  576   HD13  ILE  75          HD13      ILE  75   7.439  -7.141  -2.545
  577    H    ALA  76           H        ALA  76   9.704 -11.738  -2.302
  578    HA   ALA  76           HA       ALA  76  11.260 -12.850  -1.114
  579    HB1  ALA  76           HB1      ALA  76   9.770 -11.779   1.296
  580    HB2  ALA  76           HB2      ALA  76  11.474 -12.292   1.222
  581    HB3  ALA  76           HB3      ALA  76  10.931 -10.851   0.319
  582    H    GLY  77           H        GLY  77   8.540 -14.211  -1.663
  583    HA2  GLY  77           HA2      GLY  77   8.065 -16.486  -1.530
  584    HA3  GLY  77           HA3      GLY  77   9.181 -16.644  -0.153
  585    H    GLN  78           H        GLN  78   7.217 -13.945   0.407
  586    HA   GLN  78           HA       GLN  78   5.222 -15.563   1.910
  587    HB2  GLN  78           HB2      GLN  78   6.878 -14.786   3.437
  588    HB3  GLN  78           HB3      GLN  78   6.890 -13.176   2.719
  589    HG2  GLN  78           HG2      GLN  78   4.196 -13.776   3.591
  590    HG3  GLN  78           HG3      GLN  78   5.330 -14.115   4.912
  591   HE21  GLN  78          HE21      GLN  78   5.077 -11.671   2.263
  592   HE22  GLN  78          HE22      GLN  78   5.278 -10.282   3.312
  593    H    VAL  79           H        VAL  79   3.156 -15.045   1.607
  594    HA   VAL  79           HA       VAL  79   2.317 -13.314  -0.501
  595    HB   VAL  79           HB       VAL  79   0.746 -14.509   1.821
  596   HG11  VAL  79          HG11      VAL  79  -0.512 -12.770   0.618
  597   HG12  VAL  79          HG12      VAL  79  -0.108 -13.541  -0.939
  598   HG13  VAL  79          HG13      VAL  79  -1.157 -14.375   0.230
  599   HG21  VAL  79          HG21      VAL  79   1.955 -16.254   0.576
  600   HG22  VAL  79          HG22      VAL  79   0.220 -16.321   0.212
  601   HG23  VAL  79          HG23      VAL  79   1.341 -15.592  -0.961
  602    H    LEU  80           H        LEU  80   1.490 -11.268  -0.528
  603    HA   LEU  80           HA       LEU  80   1.812  -9.685   1.955
  604    HB2  LEU  80           HB2      LEU  80   1.227  -8.732  -0.874
  605    HB3  LEU  80           HB3      LEU  80   1.661  -7.739   0.526
  606    HG   LEU  80           HG       LEU  80   3.423  -9.756  -0.923
  607   HD11  LEU  80          HD11      LEU  80   3.542  -6.741  -0.459
  608   HD12  LEU  80          HD12      LEU  80   4.816  -7.701  -1.234
  609   HD13  LEU  80          HD13      LEU  80   3.208  -7.565  -1.999
  610   HD21  LEU  80          HD21      LEU  80   3.977  -8.142   1.598
  611   HD22  LEU  80          HD22      LEU  80   3.853  -9.920   1.502
  612   HD23  LEU  80          HD23      LEU  80   5.183  -9.093   0.684
  613    H    ASP  81           H        ASP  81   0.226  -8.202   2.661
  614    HA   ASP  81           HA       ASP  81  -2.575  -8.836   1.828
  615    HB2  ASP  81           HB2      ASP  81  -1.364  -8.463   4.587
  616    HB3  ASP  81           HB3      ASP  81  -3.082  -8.192   4.289
  617    H    ILE  82           H        ILE  82  -2.972  -7.148   0.506
  618    HA   ILE  82           HA       ILE  82  -2.021  -4.444   1.340
  619    HB   ILE  82           HB       ILE  82  -2.320  -5.734  -1.368
  620   HG12  ILE  82          HG12      ILE  82   0.096  -4.456  -0.042
  621   HG13  ILE  82          HG11      ILE  82  -0.308  -6.153   0.248
  622   HG21  ILE  82          HG21      ILE  82  -3.059  -3.358  -1.495
  623   HG22  ILE  82          HG22      ILE  82  -1.560  -2.861  -0.674
  624   HG23  ILE  82          HG23      ILE  82  -1.499  -3.590  -2.296
  625   HD11  ILE  82          HD11      ILE  82   1.336  -5.926  -1.551
  626   HD12  ILE  82          HD12      ILE  82  -0.177  -6.684  -2.085
  627   HD13  ILE  82          HD13      ILE  82   0.163  -4.979  -2.502
  628    H    ASN  83           H        ASN  83  -3.426  -2.728   1.288
  629    HA   ASN  83           HA       ASN  83  -6.168  -2.994   0.279
  630    HB2  ASN  83           HB2      ASN  83  -6.102  -4.182   2.513
  631    HB3  ASN  83           HB3      ASN  83  -5.630  -2.653   3.253
  632   HD21  ASN  83          HD21      ASN  83  -7.188  -1.018   3.568
  633   HD22  ASN  83          HD22      ASN  83  -8.888  -1.304   3.283
  634    H    LEU  84           H        LEU  84  -7.359  -0.857   0.622
  635    HA   LEU  84           HA       LEU  84  -5.686   1.433   0.251
  636    HB2  LEU  84           HB2      LEU  84  -8.573   1.200   1.183
  637    HB3  LEU  84           HB3      LEU  84  -7.795   2.703   0.660
  638    HG   LEU  84           HG       LEU  84  -8.164   0.238  -1.087
  639   HD11  LEU  84          HD11      LEU  84  -9.858   1.621  -2.233
  640   HD12  LEU  84          HD12      LEU  84 -10.300   1.363  -0.533
  641   HD13  LEU  84          HD13      LEU  84  -9.612   2.926  -1.049
  642   HD21  LEU  84          HD21      LEU  84  -6.210   1.586  -1.757
  643   HD22  LEU  84          HD22      LEU  84  -7.533   1.787  -2.924
  644   HD23  LEU  84          HD23      LEU  84  -7.208   3.061  -1.730
  645    H    ALA  85           H        ALA  85  -5.281   3.191   1.683
  646    HA   ALA  85           HA       ALA  85  -4.624   2.303   4.352
  647    HB1  ALA  85           HB1      ALA  85  -3.608   4.524   4.568
  648    HB2  ALA  85           HB2      ALA  85  -3.160   3.772   3.018
  649    HB3  ALA  85           HB3      ALA  85  -4.407   5.046   3.068
  650    H    ALA  86           H        ALA  86  -7.612   3.191   3.228
  651    HA   ALA  86           HA       ALA  86  -8.311   4.432   5.840
  652    HB1  ALA  86           HB1      ALA  86  -9.298   5.335   3.110
  653    HB2  ALA  86           HB2      ALA  86  -9.758   6.031   4.686
  654    HB3  ALA  86           HB3      ALA  86  -8.085   6.181   4.104
  655    H    GLU  87           H        GLU  87  -8.756   1.753   4.004
  656    HA   GLU  87           HA       GLU  87 -11.563   1.442   4.935
  657    HB2  GLU  87           HB2      GLU  87 -10.534   0.804   2.145
  658    HB3  GLU  87           HB3      GLU  87 -12.122   0.344   2.764
  659    HG2  GLU  87           HG2      GLU  87 -11.122   3.208   2.470
  660    HG3  GLU  87           HG3      GLU  87 -12.188   2.371   1.346
  661    HA   PRO  88           HA       PRO  88  -8.721  -2.264   5.716
  662    HB2  PRO  88           HB2      PRO  88  -8.801  -2.279   8.460
  663    HB3  PRO  88           HB3      PRO  88  -7.588  -1.356   7.518
  664    HG2  PRO  88           HG2      PRO  88 -10.201  -0.329   8.675
  665    HG3  PRO  88           HG3      PRO  88  -8.559   0.384   8.843
  666    HD2  PRO  88           HD2      PRO  88 -10.290   1.296   6.964
  667    HD3  PRO  88           HD3      PRO  88  -8.553   1.098   6.570
  668    H    LYS  89           H        LYS  89  -9.666  -4.339   6.208
  669    HA   LYS  89           HA       LYS  89 -12.555  -4.249   6.861
  670    HB2  LYS  89           HB2      LYS  89 -12.930  -5.649   4.734
  671    HB3  LYS  89           HB3      LYS  89 -12.758  -3.895   4.594
  672    HG2  LYS  89           HG2      LYS  89 -10.438  -4.118   3.831
  673    HG3  LYS  89           HG3      LYS  89 -10.477  -5.864   4.103
  674    HD2  LYS  89           HD2      LYS  89 -10.780  -5.418   1.747
  675    HD3  LYS  89           HD3      LYS  89 -12.263  -6.105   2.424
  676    HE2  LYS  89           HE2      LYS  89 -12.797  -4.267   0.906
  677    HE3  LYS  89           HE3      LYS  89 -13.258  -3.833   2.560
  678    HZ1  LYS  89           HZ1      LYS  89 -10.763  -3.010   1.230
  679    HZ2  LYS  89           HZ2      LYS  89 -12.094  -2.057   1.392
  680    HZ3  LYS  89           HZ3      LYS  89 -11.257  -2.535   2.724
  681    H    VAL  90           H        VAL  90 -10.332  -6.727   5.457
  682    HA   VAL  90           HA       VAL  90 -11.055  -8.508   7.737
  683    HB   VAL  90           HB       VAL  90 -11.330 -10.312   5.967
  684   HG11  VAL  90          HG11      VAL  90 -13.688  -9.742   5.524
  685   HG12  VAL  90          HG12      VAL  90 -13.250  -9.302   7.187
  686   HG13  VAL  90          HG13      VAL  90 -13.376  -8.041   5.934
  687   HG21  VAL  90          HG21      VAL  90 -11.666  -7.953   4.081
  688   HG22  VAL  90          HG22      VAL  90 -10.333  -9.138   4.069
  689   HG23  VAL  90          HG23      VAL  90 -11.992  -9.661   3.721
  690    H    ASN  91           H        ASN  91  -8.833  -7.528   5.236
  691    HA   ASN  91           HA       ASN  91  -7.042  -9.802   5.779
  692    HB2  ASN  91           HB2      ASN  91  -5.742  -8.732   3.831
  693    HB3  ASN  91           HB3      ASN  91  -7.307  -9.480   3.489
  694   HD21  ASN  91          HD21      ASN  91  -9.040  -8.257   2.812
  695   HD22  ASN  91          HD22      ASN  91  -8.958  -6.533   2.515
  696    H    ARG  92           H        ARG  92  -7.540  -7.416   7.697
  697    HA   ARG  92           HA       ARG  92  -4.665  -6.732   8.025
  698    HB2  ARG  92           HB2      ARG  92  -6.312  -4.819   7.829
  699    HB3  ARG  92           HB3      ARG  92  -7.020  -5.368   9.363
  700    HG2  ARG  92           HG2      ARG  92  -4.728  -5.197  10.415
  701    HG3  ARG  92           HG3      ARG  92  -4.110  -4.580   8.871
  702    HD2  ARG  92           HD2      ARG  92  -4.510  -2.679  10.266
  703    HD3  ARG  92           HD3      ARG  92  -5.784  -2.695   9.044
  704    HE   ARG  92           HE       ARG  92  -7.372  -3.113  10.693
  705   HH11  ARG  92          HH11      ARG  92  -4.131  -3.534  12.046
  706   HH12  ARG  92          HH12      ARG  92  -4.702  -3.632  13.692
  707   HH21  ARG  92          HH21      ARG  92  -8.092  -3.240  12.850
  708   HH22  ARG  92          HH22      ARG  92  -6.942  -3.468  14.145
  709    H    GLY  93           H        GLY  93  -3.633  -7.632   9.576
  710    HA2  GLY  93           HA2      GLY  93  -4.851  -8.667  12.042
  711    HA3  GLY  93           HA3      GLY  93  -4.254  -9.909  10.925
  712    H    LYS  94           H        LYS  94  -2.508 -10.629  12.087
  713    HA   LYS  94           HA       LYS  94  -0.283  -8.681  12.432
  714    HB2  LYS  94           HB2      LYS  94  -1.521  -8.994  14.564
  715    HB3  LYS  94           HB3      LYS  94  -1.296 -10.747  14.422
  716    HG2  LYS  94           HG2      LYS  94   0.309  -9.838  15.979
  717    HG3  LYS  94           HG3      LYS  94   1.139 -10.455  14.536
  718    HD2  LYS  94           HD2      LYS  94   1.375  -8.158  13.660
  719    HD3  LYS  94           HD3      LYS  94   0.453  -7.521  15.039
  720    HE2  LYS  94           HE2      LYS  94   2.185  -8.397  16.585
  721    HE3  LYS  94           HE3      LYS  94   3.105  -9.013  15.203
  722    HZ1  LYS  94           HZ1      LYS  94   3.929  -6.889  15.931
  723    HZ2  LYS  94           HZ2      LYS  94   3.308  -6.753  14.411
  724    HZ3  LYS  94           HZ3      LYS  94   2.464  -6.183  15.699
  725    H    ALA  95           H        ALA  95  -1.411 -11.829  11.463
  726    HA   ALA  95           HA       ALA  95   1.345 -12.669  10.807
  727    HB1  ALA  95           HB1      ALA  95  -0.592 -14.302  12.503
  728    HB2  ALA  95           HB2      ALA  95   1.001 -14.840  11.922
  729    HB3  ALA  95           HB3      ALA  95   0.889 -13.509  13.092
  730    H    GLY  96           H        GLY  96   1.058 -15.046   9.758
  731    HA2  GLY  96           HA2      GLY  96  -0.493 -14.662   7.378
  732    HA3  GLY  96           HA3      GLY  96   0.376 -16.136   7.861
  733    H    VAL  97           H        VAL  97  -1.526 -15.575  10.474
  734    HA   VAL  97           HA       VAL  97  -3.458 -17.583   9.694
  735    HB   VAL  97           HB       VAL  97  -3.235 -15.863  12.197
  736   HG11  VAL  97          HG11      VAL  97  -4.879 -18.364  11.629
  737   HG12  VAL  97          HG12      VAL  97  -4.647 -17.627  13.227
  738   HG13  VAL  97          HG13      VAL  97  -5.509 -16.730  11.963
  739   HG21  VAL  97          HG21      VAL  97  -1.280 -17.332  11.836
  740   HG22  VAL  97          HG22      VAL  97  -2.261 -17.916  13.192
  741   HG23  VAL  97          HG23      VAL  97  -2.360 -18.727  11.611
  742    H    LYS  98           H        LYS  98  -5.625 -17.332   9.221
  743    HA   LYS  98           HA       LYS  98  -6.552 -14.531   8.798
  744    HB2  LYS  98           HB2      LYS  98  -7.090 -16.939   7.020
  745    HB3  LYS  98           HB3      LYS  98  -7.622 -15.281   6.722
  746    HG2  LYS  98           HG2      LYS  98  -4.725 -16.232   6.831
  747    HG3  LYS  98           HG3      LYS  98  -5.649 -15.908   5.364
  748    HD2  LYS  98           HD2      LYS  98  -5.844 -13.545   5.932
  749    HD3  LYS  98           HD3      LYS  98  -5.044 -13.816   7.496
  750    HE2  LYS  98           HE2      LYS  98  -3.012 -14.608   6.326
  751    HE3  LYS  98           HE3      LYS  98  -3.798 -14.343   4.764
  752    HZ1  LYS  98           HZ1      LYS  98  -3.925 -12.007   5.283
  753    HZ2  LYS  98           HZ2      LYS  98  -3.235 -12.239   6.758
  754    HZ3  LYS  98           HZ3      LYS  98  -2.379 -12.501   5.380
  755    H    ARG  99           H        ARG  99  -6.979 -16.576  11.006
  756    HA   ARG  99           HA       ARG  99  -9.965 -16.721  10.901
  757    HB2  ARG  99           HB2      ARG  99  -7.873 -18.573  12.007
  758    HB3  ARG  99           HB3      ARG  99  -9.495 -18.508  12.738
  759    HG2  ARG  99           HG2      ARG  99 -10.525 -18.804  10.519
  760    HG3  ARG  99           HG3      ARG  99  -8.906 -18.973   9.790
  761    HD2  ARG  99           HD2      ARG  99  -8.468 -20.908  11.281
  762    HD3  ARG  99           HD3      ARG  99 -10.098 -20.731  11.965
  763    HE   ARG  99           HE       ARG  99 -10.281 -20.970   9.122
  764   HH11  ARG  99          HH11      ARG  99  -9.564 -22.909  11.985
  765   HH12  ARG  99          HH12      ARG  99 -10.070 -24.410  11.245
  766   HH21  ARG  99          HH21      ARG  99 -10.945 -22.940   8.177
  767   HH22  ARG  99          HH22      ARG  99 -10.854 -24.424   9.092
  768    H    SER 100           H        SER 100 -10.887 -16.833  13.179
  769    HA   SER 100           HA       SER 100 -10.470 -14.289  14.366
  770    HB2  SER 100           HB2      SER 100 -12.578 -15.788  14.262
  771    HB3  SER 100           HB3      SER 100 -11.878 -16.658  15.629
  772    HG   SER 100           HG       SER 100 -13.289 -14.929  16.260
  773    H    ALA 101           H        ALA 101  -8.738 -17.185  14.720
  774    HA   ALA 101           HA       ALA 101  -7.331 -18.087  16.216
  775    HB1  ALA 101           HB1      ALA 101  -6.980 -15.218  17.145
  776    HB2  ALA 101           HB2      ALA 101  -5.861 -16.565  17.443
  777    HB3  ALA 101           HB3      ALA 101  -6.138 -15.992  15.782
  778    H    ALA 102           H        ALA 102 -10.272 -17.273  17.084
  779    HA   ALA 102           HA       ALA 102 -10.002 -18.513  19.743
  780    HB1  ALA 102           HB1      ALA 102 -11.466 -15.895  19.235
  781    HB2  ALA 102           HB2      ALA 102 -11.471 -16.815  20.761
  782    HB3  ALA 102           HB3      ALA 102  -9.960 -16.096  20.166
  783    H    GLU 103           H        GLU 103 -11.313 -18.644  16.738
  784    HA   GLU 103           HA       GLU 103 -14.087 -19.163  17.474
  785    HB2  GLU 103           HB2      GLU 103 -14.417 -19.573  15.098
  786    HB3  GLU 103           HB3      GLU 103 -13.568 -18.046  15.375
  787    HG2  GLU 103           HG2      GLU 103 -11.402 -19.176  14.865
  788    HG3  GLU 103           HG3      GLU 103 -12.277 -20.685  14.558
  789    H    MET 104           H        MET 104 -11.282 -20.896  17.778
  790    HA   MET 104           HA       MET 104 -12.590 -23.529  17.282
  791    HB2  MET 104           HB2      MET 104  -9.644 -22.795  17.410
  792    HB3  MET 104           HB3      MET 104 -10.294 -24.419  17.125
  793    HG2  MET 104           HG2      MET 104 -11.441 -23.629  15.098
  794    HG3  MET 104           HG3      MET 104 -10.810 -21.998  15.356
  795    HE1  MET 104           HE1      MET 104  -7.026 -22.312  14.649
  796    HE2  MET 104           HE2      MET 104  -8.399 -21.235  15.015
  797    HE3  MET 104           HE3      MET 104  -7.825 -22.391  16.234
  798    H    TYR 105           H        TYR 105 -12.394 -21.501  19.751
  799    HA   TYR 105           HA       TYR 105 -11.774 -23.649  21.720
  800    HB2  TYR 105           HB2      TYR 105 -11.126 -20.697  21.986
  801    HB3  TYR 105           HB3      TYR 105 -10.785 -21.948  23.176
  802    HD1  TYR 105           HD1      TYR 105  -9.830 -20.539  19.909
  803    HD2  TYR 105           HD2      TYR 105  -8.934 -23.512  22.879
  804    HE1  TYR 105           HE1      TYR 105  -7.611 -20.894  18.866
  805    HE2  TYR 105           HE2      TYR 105  -6.715 -23.897  21.834
  806    HH   TYR 105           HH       TYR 105  -5.274 -23.298  20.152
  807    H    GLY 106           H        GLY 106 -14.217 -21.937  20.404
  808    HA2  GLY 106           HA2      GLY 106 -15.595 -20.867  22.689
  809    HA3  GLY 106           HA3      GLY 106 -16.299 -21.230  21.103
  810    H5'    U   1           H5'        U   1   3.296  -6.553  11.126
  811   H5''    U   1          H5''        U   1   1.741  -7.353  10.881
  812    H4'    U   1           H4'        U   1   2.831  -4.838   9.562
  813    H3'    U   1           H3'        U   1   1.329  -5.137  11.804
  814    H2'    U   1           H2'        U   1  -0.416  -6.401  10.933
  815   HO2'    U   1          HO2'        U   1  -1.212  -4.092  11.435
  816    H1'    U   1           H1'        U   1  -0.598  -4.926   8.354
  817    H3     U   1           H3         U   1  -3.264  -8.144   6.711
  818    H5     U   1           H5         U   1  -0.685 -10.291   9.235
  819    H6     U   1           H6         U   1   0.439  -8.218   9.757
  820    H5'    U   2           H5'        U   2  -1.153  -0.901  10.731
  821   H5''    U   2          H5''        U   2   0.105  -1.015   9.484
  822    H4'    U   2           H4'        U   2   0.928   1.281  10.299
  823    H3'    U   2           H3'        U   2  -0.744   1.019  12.422
  824    H2'    U   2           H2'        U   2  -2.667   0.499  11.083
  825   HO2'    U   2          HO2'        U   2  -3.201   2.213  12.563
  826    H1'    U   2           H1'        U   2  -2.026   2.948   9.444
  827    H3     U   2           H3         U   2  -5.251   2.523   6.415
  828    H5     U   2           H5         U   2  -4.798  -1.418   7.792
  829    H6     U   2           H6         U   2  -3.043  -0.649   9.266
  830    H5'    U   3           H5'        U   3   2.512   2.317  10.616
  831   H5''    U   3          H5''        U   3   3.482   2.793  12.021
  832    H4'    U   3           H4'        U   3   4.781   3.414  10.168
  833    H3'    U   3           H3'        U   3   3.983   5.393  11.889
  834    H2'    U   3           H2'        U   3   2.125   6.151  10.618
  835   HO2'    U   3          HO2'        U   3   3.951   7.828  10.675
  836    H1'    U   3           H1'        U   3   3.671   5.897   8.045
  837    H3     U   3           H3         U   3   0.048   6.672   5.516
  838    H5     U   3           H5         U   3  -1.595   4.905   8.960
  839    H6     U   3           H6         U   3   0.648   4.701   9.851
  840    H5'    U   4           H5'        U   4   7.941   4.879  10.080
  841   H5''    U   4          H5''        U   4   9.054   5.520  11.292
  842    H4'    U   4           H4'        U   4  10.127   5.108   9.084
  843    H3'    U   4           H3'        U   4  10.651   7.255  10.698
  844    H2'    U   4           H2'        U   4   8.982   8.675   9.713
  845   HO2'    U   4          HO2'        U   4  11.417   9.105   8.302
  846    H1'    U   4           H1'        U   4   9.910   7.803   6.970
  847    H3     U   4           H3         U   4   7.137  11.214   5.739
  848    H5     U   4           H5         U   4   4.632   8.482   7.715
  849    H6     U   4           H6         U   4   6.610   7.229   8.360
  850    H5'    C   5           H5'        C   5  15.116   7.300   8.424
  851   H5''    C   5          H5''        C   5  13.883   7.434   7.158
  852    H4'    C   5           H4'        C   5  16.137   5.369   7.158
  853    H3'    C   5           H3'        C   5  15.927   8.070   5.780
  854    H2'    C   5           H2'        C   5  17.376   7.148   4.130
  855   HO2'    C   5          HO2'        C   5  18.832   6.146   5.682
  856    H1'    C   5           H1'        C   5  16.251   4.558   4.354
  857    H41    C   5           H41        C   5  13.145   8.078  -0.342
  858    H42    C   5           H42        C   5  14.151   6.943  -1.218
  859    H5     C   5           H5         C   5  15.703   5.412  -0.085
  860    H6     C   5           H6         C   5  16.547   4.709   2.070
  Start of MODEL   12
    1    H1   ALA   2           H1       ALA   2  11.679   8.677  -5.580
    2    H2   ALA   2           H2       ALA   2  10.989   7.332  -4.906
    3    H3   ALA   2           H3       ALA   2  10.632   7.751  -6.467
    4    HA   ALA   2           HA       ALA   2   9.575   9.760  -5.751
    5    HB1  ALA   2           HB1      ALA   2   7.580   8.718  -4.765
    6    HB2  ALA   2           HB2      ALA   2   8.242   7.685  -6.049
    7    HB3  ALA   2           HB3      ALA   2   8.519   7.272  -4.341
    8    H    SER   3           H        SER   3   8.314  10.638  -3.747
    9    HA   SER   3           HA       SER   3  10.254  11.475  -1.825
   10    HB2  SER   3           HB2      SER   3   7.219  11.649  -1.770
   11    HB3  SER   3           HB3      SER   3   8.338  12.578  -0.746
   12    HG   SER   3           HG       SER   3   7.684  13.741  -2.608
   13    H    ASN   4           H        ASN   4  10.103  11.203   0.533
   14    HA   ASN   4           HA       ASN   4   9.640   8.374   1.178
   15    HB2  ASN   4           HB2      ASN   4  11.762   9.682   1.718
   16    HB3  ASN   4           HB3      ASN   4  10.814  10.574   2.915
   17   HD21  ASN   4          HD21      ASN   4  12.209   9.768   4.589
   18   HD22  ASN   4          HD22      ASN   4  12.065   8.118   5.155
   19    H    VAL   5           H        VAL   5   7.672  11.024   1.114
   20    HA   VAL   5           HA       VAL   5   6.482  10.630   3.781
   21    HB   VAL   5           HB       VAL   5   6.031  12.700   1.612
   22   HG11  VAL   5          HG11      VAL   5   4.824  12.518   4.412
   23   HG12  VAL   5          HG12      VAL   5   4.653  13.882   3.290
   24   HG13  VAL   5          HG13      VAL   5   3.927  12.315   2.888
   25   HG21  VAL   5          HG21      VAL   5   7.078  14.193   3.301
   26   HG22  VAL   5          HG22      VAL   5   7.302  12.801   4.386
   27   HG23  VAL   5          HG23      VAL   5   8.176  12.875   2.840
   28    H    THR   6           H        THR   6   4.583   9.728   4.198
   29    HA   THR   6           HA       THR   6   2.707   9.038   2.041
   30    HB   THR   6           HB       THR   6   2.697   6.644   2.691
   31    HG1  THR   6           HG1      THR   6   3.547   6.783   4.752
   32   HG21  THR   6          HG21      THR   6   5.510   7.505   1.922
   33   HG22  THR   6          HG22      THR   6   4.756   5.924   1.655
   34   HG23  THR   6          HG23      THR   6   4.136   7.344   0.784
   35    H    ASN   7           H        ASN   7   3.080  10.382   5.035
   36    HA   ASN   7           HA       ASN   7   0.831   8.859   6.205
   37    HB2  ASN   7           HB2      ASN   7   1.542   9.545   8.359
   38    HB3  ASN   7           HB3      ASN   7   2.922   8.911   7.471
   39   HD21  ASN   7          HD21      ASN   7   3.922  10.126   9.378
   40   HD22  ASN   7          HD22      ASN   7   4.362  11.799   9.088
   41    H    LYS   8           H        LYS   8   0.541  11.108   4.153
   42    HA   LYS   8           HA       LYS   8  -0.715  13.281   5.542
   43    HB2  LYS   8           HB2      LYS   8  -1.053  12.274   2.697
   44    HB3  LYS   8           HB3      LYS   8  -1.645  13.827   3.325
   45    HG2  LYS   8           HG2      LYS   8   0.711  14.402   3.990
   46    HG3  LYS   8           HG3      LYS   8   1.266  12.931   3.166
   47    HD2  LYS   8           HD2      LYS   8  -0.265  15.227   1.879
   48    HD3  LYS   8           HD3      LYS   8   1.485  14.957   1.748
   49    HE2  LYS   8           HE2      LYS   8   1.055  12.757   0.670
   50    HE3  LYS   8           HE3      LYS   8  -0.688  13.051   0.779
   51    HZ1  LYS   8           HZ1      LYS   8   1.231  14.717  -0.715
   52    HZ2  LYS   8           HZ2      LYS   8   0.189  13.632  -1.374
   53    HZ3  LYS   8           HZ3      LYS   8  -0.384  14.983  -0.619
   54    H    THR   9           H        THR   9  -2.942  13.738   5.778
   55    HA   THR   9           HA       THR   9  -4.621  11.273   5.931
   56    HB   THR   9           HB       THR   9  -5.550  12.133   8.047
   57    HG1  THR   9           HG1      THR   9  -4.428  13.837   9.050
   58   HG21  THR   9          HG21      THR   9  -2.515  11.864   8.091
   59   HG22  THR   9          HG22      THR   9  -3.628  11.577   9.444
   60   HG23  THR   9          HG23      THR   9  -3.669  10.509   8.029
   61    H    ASP  10           H        ASP  10  -4.520  13.604   3.920
   62    HA   ASP  10           HA       ASP  10  -6.957  15.069   4.352
   63    HB2  ASP  10           HB2      ASP  10  -5.491  14.552   1.735
   64    HB3  ASP  10           HB3      ASP  10  -6.666  15.825   2.052
   65    HA   PRO  11           HA       PRO  11 -10.120  12.423   3.283
   66    HB2  PRO  11           HB2      PRO  11 -11.208  14.440   1.357
   67    HB3  PRO  11           HB3      PRO  11 -11.992  13.693   2.798
   68    HG2  PRO  11           HG2      PRO  11 -11.107  16.244   2.907
   69    HG3  PRO  11           HG3      PRO  11 -10.833  15.122   4.286
   70    HD2  PRO  11           HD2      PRO  11  -8.916  15.855   2.061
   71    HD3  PRO  11           HD3      PRO  11  -8.636  15.825   3.834
   72    H    ARG  12           H        ARG  12  -7.869  13.119   0.898
   73    HA   ARG  12           HA       ARG  12  -9.021  11.026  -0.872
   74    HB2  ARG  12           HB2      ARG  12  -9.415  13.506  -1.587
   75    HB3  ARG  12           HB3      ARG  12  -7.715  13.484  -2.065
   76    HG2  ARG  12           HG2      ARG  12  -9.658  11.324  -2.966
   77    HG3  ARG  12           HG3      ARG  12  -9.627  12.894  -3.777
   78    HD2  ARG  12           HD2      ARG  12  -7.236  11.030  -3.545
   79    HD3  ARG  12           HD3      ARG  12  -8.274  11.220  -4.957
   80    HE   ARG  12           HE       ARG  12  -7.557  13.569  -5.124
   81   HH11  ARG  12          HH11      ARG  12  -5.548  11.406  -3.171
   82   HH12  ARG  12          HH12      ARG  12  -4.117  12.395  -3.349
   83   HH21  ARG  12          HH21      ARG  12  -5.677  14.818  -5.347
   84   HH22  ARG  12          HH22      ARG  12  -4.189  14.320  -4.587
   85    H    SER  13           H        SER  13  -6.206  12.667   0.545
   86    HA   SER  13           HA       SER  13  -4.290  11.222  -1.082
   87    HB2  SER  13           HB2      SER  13  -2.636  12.150   0.427
   88    HB3  SER  13           HB3      SER  13  -3.819  13.407  -0.004
   89    HG   SER  13           HG       SER  13  -3.440  13.421   2.206
   90    H    MET  14           H        MET  14  -6.014  10.572   1.960
   91    HA   MET  14           HA       MET  14  -4.302   8.237   2.403
   92    HB2  MET  14           HB2      MET  14  -5.332   7.944   4.447
   93    HB3  MET  14           HB3      MET  14  -5.218   9.704   4.247
   94    HG2  MET  14           HG2      MET  14  -7.588   9.784   3.594
   95    HG3  MET  14           HG3      MET  14  -7.696   8.023   3.721
   96    HE1  MET  14           HE1      MET  14  -7.309   6.670   5.998
   97    HE2  MET  14           HE2      MET  14  -5.839   7.566   6.450
   98    HE3  MET  14           HE3      MET  14  -7.190   7.427   7.594
   99    H    ASN  15           H        ASN  15  -6.629   8.800   0.190
  100    HA   ASN  15           HA       ASN  15  -7.572   5.967   0.263
  101    HB2  ASN  15           HB2      ASN  15  -8.765   8.447  -1.034
  102    HB3  ASN  15           HB3      ASN  15  -9.336   6.795  -1.327
  103   HD21  ASN  15          HD21      ASN  15  -9.156   9.434   1.029
  104   HD22  ASN  15          HD22      ASN  15 -10.257   8.720   2.188
  105    H    SER  16           H        SER  16  -5.797   8.433  -1.580
  106    HA   SER  16           HA       SER  16  -5.296   6.561  -3.771
  107    HB2  SER  16           HB2      SER  16  -3.809   8.322  -4.605
  108    HB3  SER  16           HB3      SER  16  -5.419   8.974  -4.205
  109    HG   SER  16           HG       SER  16  -3.561  10.197  -3.424
  110    H    ARG  17           H        ARG  17  -4.335   6.621  -0.612
  111    HA   ARG  17           HA       ARG  17  -1.567   5.690  -1.134
  112    HB2  ARG  17           HB2      ARG  17  -1.970   7.268   0.703
  113    HB3  ARG  17           HB3      ARG  17  -3.062   6.090   1.473
  114    HG2  ARG  17           HG2      ARG  17  -1.284   4.529   1.829
  115    HG3  ARG  17           HG3      ARG  17  -0.208   5.381   0.704
  116    HD2  ARG  17           HD2      ARG  17   0.442   5.787   3.022
  117    HD3  ARG  17           HD3      ARG  17  -0.018   7.266   2.170
  118    HE   ARG  17           HE       ARG  17  -1.652   5.867   4.250
  119   HH11  ARG  17          HH11      ARG  17  -1.060   8.729   2.236
  120   HH12  ARG  17          HH12      ARG  17  -2.061   9.755   3.242
  121   HH21  ARG  17          HH21      ARG  17  -2.908   7.245   5.516
  122   HH22  ARG  17          HH22      ARG  17  -3.104   8.928   5.061
  123    H    VAL  18           H        VAL  18  -0.884   3.610  -0.555
  124    HA   VAL  18           HA       VAL  18  -3.043   1.617  -0.052
  125    HB   VAL  18           HB       VAL  18  -0.620   1.333  -1.866
  126   HG11  VAL  18          HG11      VAL  18  -2.852  -0.604  -1.124
  127   HG12  VAL  18          HG12      VAL  18  -1.641  -0.879  -2.398
  128   HG13  VAL  18          HG13      VAL  18  -1.126  -0.767  -0.704
  129   HG21  VAL  18          HG21      VAL  18  -2.375   2.665  -2.910
  130   HG22  VAL  18          HG22      VAL  18  -2.449   1.014  -3.588
  131   HG23  VAL  18          HG23      VAL  18  -3.621   1.518  -2.359
  132    H    PHE  19           H        PHE  19  -2.771   0.437   1.681
  133    HA   PHE  19           HA       PHE  19  -0.222   0.483   3.151
  134    HB2  PHE  19           HB2      PHE  19  -2.312   0.857   4.362
  135    HB3  PHE  19           HB3      PHE  19  -2.986  -0.637   3.717
  136    HD1  PHE  19           HD1      PHE  19   0.294   0.218   5.371
  137    HD2  PHE  19           HD2      PHE  19  -3.257  -2.205   5.380
  138    HE1  PHE  19           HE1      PHE  19   1.133  -1.005   7.352
  139    HE2  PHE  19           HE2      PHE  19  -2.403  -3.448   7.358
  140    HZ   PHE  19           HZ       PHE  19  -0.196  -2.852   8.336
  141    H    ILE  20           H        ILE  20   1.186  -1.200   3.185
  142    HA   ILE  20           HA       ILE  20   0.375  -3.741   1.839
  143    HB   ILE  20           HB       ILE  20   3.051  -2.315   1.844
  144   HG12  ILE  20          HG12      ILE  20   1.340  -2.943  -0.585
  145   HG13  ILE  20          HG11      ILE  20   1.159  -1.432   0.322
  146   HG21  ILE  20          HG21      ILE  20   3.790  -4.139   0.294
  147   HG22  ILE  20          HG22      ILE  20   3.345  -4.781   1.876
  148   HG23  ILE  20          HG23      ILE  20   2.219  -4.942   0.522
  149   HD11  ILE  20          HD11      ILE  20   3.736  -2.420  -0.956
  150   HD12  ILE  20          HD12      ILE  20   2.688  -1.118  -1.562
  151   HD13  ILE  20          HD13      ILE  20   3.551  -0.923  -0.015
  152    H    GLY  21           H        GLY  21  -0.301  -4.486   3.903
  153    HA2  GLY  21           HA2      GLY  21   1.685  -4.712   6.054
  154    HA3  GLY  21           HA3      GLY  21   0.019  -5.310   6.072
  155    H    ASN  22           H        ASN  22   1.707  -7.044   7.107
  156    HA   ASN  22           HA       ASN  22   2.773  -9.032   6.944
  157    HB2  ASN  22           HB2      ASN  22   0.411  -9.640   6.370
  158    HB3  ASN  22           HB3      ASN  22   0.806  -9.472   4.666
  159   HD21  ASN  22          HD21      ASN  22  -0.005 -11.787   4.778
  160   HD22  ASN  22          HD22      ASN  22   1.207 -13.034   5.033
  161    H    LEU  23           H        LEU  23   4.374  -7.153   5.873
  162    HA   LEU  23           HA       LEU  23   5.289  -8.197   3.252
  163    HB2  LEU  23           HB2      LEU  23   4.771  -5.792   3.461
  164    HB3  LEU  23           HB3      LEU  23   5.969  -5.644   4.750
  165    HG   LEU  23           HG       LEU  23   7.762  -6.275   3.162
  166   HD11  LEU  23          HD11      LEU  23   5.521  -6.253   1.100
  167   HD12  LEU  23          HD12      LEU  23   7.261  -6.309   0.729
  168   HD13  LEU  23          HD13      LEU  23   6.500  -7.663   1.581
  169   HD21  LEU  23          HD21      LEU  23   5.971  -4.036   2.148
  170   HD22  LEU  23          HD22      LEU  23   7.080  -3.911   3.535
  171   HD23  LEU  23          HD23      LEU  23   7.727  -4.186   1.897
  172    H    ASN  24           H        ASN  24   7.431  -8.993   2.969
  173    HA   ASN  24           HA       ASN  24   8.524 -10.229   5.318
  174    HB2  ASN  24           HB2      ASN  24   8.624 -11.101   2.908
  175    HB3  ASN  24           HB3      ASN  24   9.861  -9.884   2.611
  176   HD21  ASN  24          HD21      ASN  24  11.724 -11.088   2.415
  177   HD22  ASN  24          HD22      ASN  24  12.308 -12.198   3.636
  178    H    THR  25           H        THR  25   9.373  -7.421   3.383
  179    HA   THR  25           HA       THR  25  10.835  -5.755   3.503
  180    HB   THR  25           HB       THR  25  11.073  -4.592   5.552
  181    HG1  THR  25           HG1      THR  25  10.585  -5.516   7.510
  182   HG21  THR  25          HG21      THR  25   8.377  -6.026   5.417
  183   HG22  THR  25          HG22      THR  25   8.699  -4.527   6.311
  184   HG23  THR  25          HG23      THR  25   8.855  -4.549   4.543
  185    H    LEU  26           H        LEU  26  11.983  -8.738   4.388
  186    HA   LEU  26           HA       LEU  26  14.697  -7.816   5.075
  187    HB2  LEU  26           HB2      LEU  26  13.152 -10.363   5.089
  188    HB3  LEU  26           HB3      LEU  26  14.885 -10.498   4.744
  189    HG   LEU  26           HG       LEU  26  15.435  -9.270   6.807
  190   HD11  LEU  26          HD11      LEU  26  12.449  -9.416   7.391
  191   HD12  LEU  26          HD12      LEU  26  13.712  -8.862   8.515
  192   HD13  LEU  26          HD13      LEU  26  13.369  -7.924   7.059
  193   HD21  LEU  26          HD21      LEU  26  15.297 -11.730   6.811
  194   HD22  LEU  26          HD22      LEU  26  14.803 -11.056   8.380
  195   HD23  LEU  26          HD23      LEU  26  13.573 -11.640   7.234
  196    H    VAL  27           H        VAL  27  12.867  -8.571   2.247
  197    HA   VAL  27           HA       VAL  27  15.406  -8.624   0.663
  198    HB   VAL  27           HB       VAL  27  12.857 -10.194   0.125
  199   HG11  VAL  27          HG11      VAL  27  15.512 -10.098  -1.363
  200   HG12  VAL  27          HG12      VAL  27  14.207 -11.270  -1.666
  201   HG13  VAL  27          HG13      VAL  27  13.936  -9.550  -1.982
  202   HG21  VAL  27          HG21      VAL  27  14.177 -11.162   1.975
  203   HG22  VAL  27          HG22      VAL  27  14.304 -12.171   0.523
  204   HG23  VAL  27          HG23      VAL  27  15.644 -11.095   0.972
  205    H    VAL  28           H        VAL  28  12.278  -7.221   1.227
  206    HA   VAL  28           HA       VAL  28  12.576  -5.643  -1.294
  207    HB   VAL  28           HB       VAL  28  10.050  -6.235   0.299
  208   HG11  VAL  28          HG11      VAL  28   8.900  -5.193  -1.633
  209   HG12  VAL  28          HG12      VAL  28   9.984  -4.040  -0.837
  210   HG13  VAL  28          HG13      VAL  28  10.470  -4.810  -2.368
  211   HG21  VAL  28          HG21      VAL  28  11.083  -7.293  -2.371
  212   HG22  VAL  28          HG22      VAL  28  10.801  -8.240  -0.894
  213   HG23  VAL  28          HG23      VAL  28   9.428  -7.527  -1.765
  214    H    LYS  29           H        LYS  29  12.799  -3.522  -1.198
  215    HA   LYS  29           HA       LYS  29  12.632  -2.183   1.471
  216    HB2  LYS  29           HB2      LYS  29  14.639  -1.647  -0.756
  217    HB3  LYS  29           HB3      LYS  29  14.602  -0.895   0.840
  218    HG2  LYS  29           HG2      LYS  29  15.226  -3.798   0.208
  219    HG3  LYS  29           HG3      LYS  29  16.347  -2.541   0.772
  220    HD2  LYS  29           HD2      LYS  29  15.011  -2.358   2.887
  221    HD3  LYS  29           HD3      LYS  29  13.999  -3.711   2.321
  222    HE2  LYS  29           HE2      LYS  29  15.977  -5.166   2.210
  223    HE3  LYS  29           HE3      LYS  29  17.019  -3.825   2.711
  224    HZ1  LYS  29           HZ1      LYS  29  14.845  -4.987   4.328
  225    HZ2  LYS  29           HZ2      LYS  29  16.452  -5.246   4.556
  226    HZ3  LYS  29           HZ3      LYS  29  15.821  -3.745   4.785
  227    H    LYS  30           H        LYS  30  12.844   0.245   1.102
  228    HA   LYS  30           HA       LYS  30  10.460   1.100  -0.276
  229    HB2  LYS  30           HB2      LYS  30  11.106   3.334   0.558
  230    HB3  LYS  30           HB3      LYS  30  11.143   2.072   1.807
  231    HG2  LYS  30           HG2      LYS  30  13.718   1.910   1.044
  232    HG3  LYS  30           HG3      LYS  30  13.417   3.593   0.571
  233    HD2  LYS  30           HD2      LYS  30  12.884   2.314   3.281
  234    HD3  LYS  30           HD3      LYS  30  14.247   3.387   2.916
  235    HE2  LYS  30           HE2      LYS  30  11.292   4.159   2.802
  236    HE3  LYS  30           HE3      LYS  30  12.412   4.576   4.100
  237    HZ1  LYS  30           HZ1      LYS  30  13.708   5.819   2.525
  238    HZ2  LYS  30           HZ2      LYS  30  12.700   5.414   1.290
  239    HZ3  LYS  30           HZ3      LYS  30  12.148   6.353   2.518
  240    H    SER  31           H        SER  31  13.555   0.476  -1.423
  241    HA   SER  31           HA       SER  31  13.280   2.352  -3.703
  242    HB2  SER  31           HB2      SER  31  15.577   0.529  -2.896
  243    HB3  SER  31           HB3      SER  31  15.593   1.712  -4.222
  244    HG   SER  31           HG       SER  31  16.509   2.545  -2.292
  245    H    ASP  32           H        ASP  32  12.139  -0.633  -2.839
  246    HA   ASP  32           HA       ASP  32  12.340  -1.722  -5.606
  247    HB2  ASP  32           HB2      ASP  32  12.112  -3.042  -2.874
  248    HB3  ASP  32           HB3      ASP  32  11.818  -3.894  -4.386
  249    H    VAL  33           H        VAL  33  10.215  -0.916  -2.833
  250    HA   VAL  33           HA       VAL  33   7.819  -2.024  -3.953
  251    HB   VAL  33           HB       VAL  33   8.339   0.250  -2.008
  252   HG11  VAL  33          HG11      VAL  33   5.721  -1.198  -2.614
  253   HG12  VAL  33          HG12      VAL  33   5.982   0.020  -1.348
  254   HG13  VAL  33          HG13      VAL  33   6.093   0.484  -3.057
  255   HG21  VAL  33          HG21      VAL  33   9.062  -1.977  -1.232
  256   HG22  VAL  33          HG22      VAL  33   7.633  -1.436  -0.328
  257   HG23  VAL  33          HG23      VAL  33   7.462  -2.651  -1.616
  258    H    GLU  34           H        GLU  34   9.608   0.999  -4.434
  259    HA   GLU  34           HA       GLU  34   7.485   2.178  -6.045
  260    HB2  GLU  34           HB2      GLU  34   9.038   4.007  -6.420
  261    HB3  GLU  34           HB3      GLU  34   8.925   3.603  -4.699
  262    HG2  GLU  34           HG2      GLU  34  11.037   2.352  -4.819
  263    HG3  GLU  34           HG3      GLU  34  11.137   2.650  -6.565
  264    H    ALA  35           H        ALA  35   9.185  -0.439  -6.710
  265    HA   ALA  35           HA       ALA  35   9.288   0.196  -9.618
  266    HB1  ALA  35           HB1      ALA  35  11.205  -1.335  -9.803
  267    HB2  ALA  35           HB2      ALA  35  11.571   0.007  -8.693
  268    HB3  ALA  35           HB3      ALA  35  11.173  -1.602  -8.046
  269    H    ILE  36           H        ILE  36   7.880  -1.619  -7.114
  270    HA   ILE  36           HA       ILE  36   7.064  -3.787  -8.994
  271    HB   ILE  36           HB       ILE  36   7.056  -3.598  -5.954
  272   HG12  ILE  36          HG12      ILE  36   8.627  -5.498  -7.744
  273   HG13  ILE  36          HG11      ILE  36   9.267  -3.929  -7.242
  274   HG21  ILE  36          HG21      ILE  36   6.179  -5.872  -7.793
  275   HG22  ILE  36          HG22      ILE  36   6.357  -6.006  -6.032
  276   HG23  ILE  36          HG23      ILE  36   5.137  -4.924  -6.704
  277   HD11  ILE  36          HD11      ILE  36   8.969  -4.559  -4.857
  278   HD12  ILE  36          HD12      ILE  36   8.420  -6.178  -5.370
  279   HD13  ILE  36          HD13      ILE  36  10.079  -5.644  -5.714
  280    H    PHE  37           H        PHE  37   5.956  -1.050  -7.055
  281    HA   PHE  37           HA       PHE  37   3.141  -1.757  -7.674
  282    HB2  PHE  37           HB2      PHE  37   4.434   0.094  -5.650
  283    HB3  PHE  37           HB3      PHE  37   2.707   0.097  -5.985
  284    HD1  PHE  37           HD1      PHE  37   5.479  -2.098  -4.801
  285    HD2  PHE  37           HD2      PHE  37   1.237  -1.444  -4.988
  286    HE1  PHE  37           HE1      PHE  37   5.115  -3.987  -3.225
  287    HE2  PHE  37           HE2      PHE  37   0.875  -3.317  -3.403
  288    HZ   PHE  37           HZ       PHE  37   2.819  -4.582  -2.517
  289    H    SER  38           H        SER  38   5.705   0.070  -8.898
  290    HA   SER  38           HA       SER  38   4.274   2.473  -9.662
  291    HB2  SER  38           HB2      SER  38   6.271   2.831 -11.091
  292    HB3  SER  38           HB3      SER  38   6.699   2.445  -9.409
  293    HG   SER  38           HG       SER  38   7.900   1.251 -10.992
  294    H    LYS  39           H        LYS  39   4.301  -0.759 -10.828
  295    HA   LYS  39           HA       LYS  39   3.678  -0.135 -13.595
  296    HB2  LYS  39           HB2      LYS  39   3.449  -2.542 -13.818
  297    HB3  LYS  39           HB3      LYS  39   4.898  -2.146 -12.868
  298    HG2  LYS  39           HG2      LYS  39   3.395  -2.426 -10.781
  299    HG3  LYS  39           HG3      LYS  39   2.228  -3.198 -11.873
  300    HD2  LYS  39           HD2      LYS  39   5.132  -4.019 -11.462
  301    HD3  LYS  39           HD3      LYS  39   3.743  -4.836 -10.729
  302    HE2  LYS  39           HE2      LYS  39   4.252  -4.592 -13.731
  303    HE3  LYS  39           HE3      LYS  39   4.590  -6.022 -12.746
  304    HZ1  LYS  39           HZ1      LYS  39   1.932  -4.824 -13.165
  305    HZ2  LYS  39           HZ2      LYS  39   2.487  -6.208 -13.851
  306    HZ3  LYS  39           HZ3      LYS  39   2.244  -6.135 -12.225
  307    H    TYR  40           H        TYR  40   1.846  -0.109 -10.685
  308    HA   TYR  40           HA       TYR  40  -0.690  -0.521 -12.198
  309    HB2  TYR  40           HB2      TYR  40  -0.193  -0.440  -9.212
  310    HB3  TYR  40           HB3      TYR  40  -1.716  -0.842 -10.012
  311    HD1  TYR  40           HD1      TYR  40  -1.663  -2.876 -11.673
  312    HD2  TYR  40           HD2      TYR  40   1.297  -2.134  -8.641
  313    HE1  TYR  40           HE1      TYR  40  -0.935  -5.247 -11.807
  314    HE2  TYR  40           HE2      TYR  40   2.054  -4.487  -8.791
  315    HH   TYR  40           HH       TYR  40   1.677  -6.541  -9.728
  316    H    GLY  41           H        GLY  41   1.314   1.902 -10.733
  317    HA2  GLY  41           HA2      GLY  41  -0.324   3.965 -11.827
  318    HA3  GLY  41           HA3      GLY  41  -0.573   3.881 -10.072
  319    H    LYS  42           H        LYS  42   0.469   6.141 -11.340
  320    HA   LYS  42           HA       LYS  42   3.355   6.230 -11.132
  321    HB2  LYS  42           HB2      LYS  42   2.222   7.753 -12.613
  322    HB3  LYS  42           HB3      LYS  42   1.135   8.297 -11.326
  323    HG2  LYS  42           HG2      LYS  42   2.994   9.339 -10.124
  324    HG3  LYS  42           HG3      LYS  42   4.145   8.770 -11.356
  325    HD2  LYS  42           HD2      LYS  42   3.114  10.143 -13.052
  326    HD3  LYS  42           HD3      LYS  42   1.736  10.522 -11.994
  327    HE2  LYS  42           HE2      LYS  42   3.196  11.694 -10.434
  328    HE3  LYS  42           HE3      LYS  42   4.618  11.298 -11.423
  329    HZ1  LYS  42           HZ1      LYS  42   3.659  12.586 -13.205
  330    HZ2  LYS  42           HZ2      LYS  42   2.334  12.942 -12.295
  331    HZ3  LYS  42           HZ3      LYS  42   3.808  13.517 -11.859
  332    H    ILE  43           H        ILE  43   4.407   6.043  -9.261
  333    HA   ILE  43           HA       ILE  43   3.033   6.590  -6.734
  334    HB   ILE  43           HB       ILE  43   5.794   5.537  -7.417
  335   HG12  ILE  43          HG12      ILE  43   3.254   4.236  -6.333
  336   HG13  ILE  43          HG11      ILE  43   3.843   4.102  -8.000
  337   HG21  ILE  43          HG21      ILE  43   4.409   5.706  -4.706
  338   HG22  ILE  43          HG22      ILE  43   5.989   4.956  -5.035
  339   HG23  ILE  43          HG23      ILE  43   5.795   6.703  -5.210
  340   HD11  ILE  43          HD11      ILE  43   4.401   2.100  -6.729
  341   HD12  ILE  43          HD12      ILE  43   5.883   2.971  -7.198
  342   HD13  ILE  43          HD13      ILE  43   5.269   3.059  -5.522
  343    H    VAL  44           H        VAL  44   3.145   8.410  -5.605
  344    HA   VAL  44           HA       VAL  44   5.133  10.473  -6.418
  345    HB   VAL  44           HB       VAL  44   3.583  12.105  -5.433
  346   HG11  VAL  44          HG11      VAL  44   2.218  10.225  -7.408
  347   HG12  VAL  44          HG12      VAL  44   1.821  11.937  -7.117
  348   HG13  VAL  44          HG13      VAL  44   3.391  11.501  -7.819
  349   HG21  VAL  44          HG21      VAL  44   1.724   9.726  -5.012
  350   HG22  VAL  44          HG22      VAL  44   2.546  10.633  -3.720
  351   HG23  VAL  44          HG23      VAL  44   1.328  11.432  -4.741
  352    H    GLY  45           H        GLY  45   4.575   8.144  -4.076
  353    HA2  GLY  45           HA2      GLY  45   6.755   9.085  -2.476
  354    HA3  GLY  45           HA3      GLY  45   5.212   9.297  -1.619
  355    H    CYS  46           H        CYS  46   7.524   7.425  -1.120
  356    HA   CYS  46           HA       CYS  46   5.907   4.989  -0.779
  357    HB2  CYS  46           HB2      CYS  46   7.001   4.715  -2.999
  358    HB3  CYS  46           HB3      CYS  46   8.583   4.991  -2.233
  359    HG   CYS  46           HG       CYS  46   8.262   2.459  -2.729
  360    H    SER  47           H        SER  47   6.524   3.812   1.013
  361    HA   SER  47           HA       SER  47   9.101   4.355   2.300
  362    HB2  SER  47           HB2      SER  47   8.108   4.962   4.450
  363    HB3  SER  47           HB3      SER  47   7.614   6.117   3.195
  364    HG   SER  47           HG       SER  47   5.746   5.612   4.136
  365    H    VAL  48           H        VAL  48   9.745   2.691   3.669
  366    HA   VAL  48           HA       VAL  48   7.854   0.409   3.954
  367    HB   VAL  48           HB       VAL  48  10.821   0.314   3.308
  368   HG11  VAL  48          HG11      VAL  48   8.884  -1.938   4.014
  369   HG12  VAL  48          HG12      VAL  48  10.508  -2.159   3.321
  370   HG13  VAL  48          HG13      VAL  48  10.330  -1.453   4.932
  371   HG21  VAL  48          HG21      VAL  48  10.025  -0.930   1.326
  372   HG22  VAL  48          HG22      VAL  48   8.345  -0.727   1.860
  373   HG23  VAL  48          HG23      VAL  48   9.296   0.696   1.389
  374    H    HIS  49           H        HIS  49   7.977  -0.738   5.866
  375    HA   HIS  49           HA       HIS  49   9.536   0.454   8.102
  376    HB2  HIS  49           HB2      HIS  49   6.579  -0.226   8.124
  377    HB3  HIS  49           HB3      HIS  49   7.510   0.489   9.446
  378    HD2  HIS  49           HD2      HIS  49   6.133   1.368   5.932
  379    HE1  HIS  49           HE1      HIS  49   6.967   5.043   7.884
  380    HE2  HIS  49           HE2      HIS  49   5.987   3.979   5.792
  381    H    LYS  50           H        LYS  50   8.675  -1.211  10.128
  382    HA   LYS  50           HA       LYS  50   9.640  -3.793   9.138
  383    HB2  LYS  50           HB2      LYS  50   9.858  -4.477  11.388
  384    HB3  LYS  50           HB3      LYS  50  10.533  -2.861  11.240
  385    HG2  LYS  50           HG2      LYS  50   7.799  -3.557  12.399
  386    HG3  LYS  50           HG3      LYS  50   9.259  -3.241  13.331
  387    HD2  LYS  50           HD2      LYS  50   7.793  -1.222  11.584
  388    HD3  LYS  50           HD3      LYS  50   7.814  -1.293  13.351
  389    HE2  LYS  50           HE2      LYS  50  10.273  -0.971  13.344
  390    HE3  LYS  50           HE3      LYS  50  10.244  -0.824  11.582
  391    HZ1  LYS  50           HZ1      LYS  50  10.218   1.313  12.674
  392    HZ2  LYS  50           HZ2      LYS  50   8.826   1.096  11.826
  393    HZ3  LYS  50           HZ3      LYS  50   8.824   0.946  13.463
  394    H    GLY  51           H        GLY  51   8.419  -5.326   8.382
  395    HA2  GLY  51           HA2      GLY  51   6.714  -6.856   8.252
  396    HA3  GLY  51           HA3      GLY  51   5.940  -6.099   9.652
  397    H    PHE  52           H        PHE  52   6.314  -3.467   7.719
  398    HA   PHE  52           HA       PHE  52   4.161  -4.064   5.816
  399    HB2  PHE  52           HB2      PHE  52   2.705  -2.298   6.588
  400    HB3  PHE  52           HB3      PHE  52   2.900  -3.505   7.847
  401    HD1  PHE  52           HD1      PHE  52   4.194  -3.028   9.891
  402    HD2  PHE  52           HD2      PHE  52   3.517  -0.018   6.893
  403    HE1  PHE  52           HE1      PHE  52   4.886  -1.274  11.495
  404    HE2  PHE  52           HE2      PHE  52   4.203   1.732   8.499
  405    HZ   PHE  52           HZ       PHE  52   4.908   1.104  10.800
  406    H    ALA  53           H        ALA  53   3.665  -2.137   4.443
  407    HA   ALA  53           HA       ALA  53   5.710  -0.005   4.398
  408    HB1  ALA  53           HB1      ALA  53   5.156  -1.860   2.043
  409    HB2  ALA  53           HB2      ALA  53   6.127  -0.374   1.980
  410    HB3  ALA  53           HB3      ALA  53   6.670  -1.742   2.971
  411    H    PHE  54           H        PHE  54   5.108   1.621   2.598
  412    HA   PHE  54           HA       PHE  54   2.183   1.760   2.133
  413    HB2  PHE  54           HB2      PHE  54   3.912   3.668   3.694
  414    HB3  PHE  54           HB3      PHE  54   2.608   4.317   2.708
  415    HD1  PHE  54           HD1      PHE  54   0.252   3.321   3.000
  416    HD2  PHE  54           HD2      PHE  54   3.402   2.908   5.899
  417    HE1  PHE  54           HE1      PHE  54  -1.433   2.894   4.768
  418    HE2  PHE  54           HE2      PHE  54   1.717   2.436   7.653
  419    HZ   PHE  54           HZ       PHE  54  -0.700   2.449   7.088
  420    H    VAL  55           H        VAL  55   1.587   2.824   0.288
  421    HA   VAL  55           HA       VAL  55   3.713   4.049  -1.401
  422    HB   VAL  55           HB       VAL  55   1.678   1.955  -2.281
  423   HG11  VAL  55          HG11      VAL  55   3.680   3.585  -3.900
  424   HG12  VAL  55          HG12      VAL  55   2.723   2.217  -4.516
  425   HG13  VAL  55          HG13      VAL  55   1.905   3.702  -4.004
  426   HG21  VAL  55          HG21      VAL  55   3.685   1.025  -1.189
  427   HG22  VAL  55          HG22      VAL  55   3.709   0.697  -2.937
  428   HG23  VAL  55          HG23      VAL  55   4.722   1.998  -2.261
  429    H    GLN  56           H        GLN  56   3.046   5.857  -2.476
  430    HA   GLN  56           HA       GLN  56   0.212   6.663  -2.034
  431    HB2  GLN  56           HB2      GLN  56   1.969   7.846  -0.683
  432    HB3  GLN  56           HB3      GLN  56   2.730   8.368  -2.187
  433    HG2  GLN  56           HG2      GLN  56   1.418  10.203  -1.433
  434    HG3  GLN  56           HG3      GLN  56   0.510   9.504  -2.780
  435   HE21  GLN  56          HE21      GLN  56  -1.629   9.186  -2.422
  436   HE22  GLN  56          HE22      GLN  56  -2.355   8.973  -0.845
  437    H    TYR  57           H        TYR  57  -0.971   7.142  -3.814
  438    HA   TYR  57           HA       TYR  57   0.465   7.393  -6.415
  439    HB2  TYR  57           HB2      TYR  57  -2.342   6.430  -5.772
  440    HB3  TYR  57           HB3      TYR  57  -1.695   6.678  -7.397
  441    HD1  TYR  57           HD1      TYR  57   0.760   5.538  -7.704
  442    HD2  TYR  57           HD2      TYR  57  -2.400   4.186  -5.115
  443    HE1  TYR  57           HE1      TYR  57   1.718   3.244  -7.731
  444    HE2  TYR  57           HE2      TYR  57  -1.433   1.904  -5.130
  445    HH   TYR  57           HH       TYR  57   0.250   0.573  -5.872
  446    H    VAL  58           H        VAL  58  -1.027   8.583  -8.063
  447    HA   VAL  58           HA       VAL  58  -1.359  11.292  -7.110
  448    HB   VAL  58           HB       VAL  58  -1.973   9.908  -9.752
  449   HG11  VAL  58          HG11      VAL  58  -3.386  11.896  -9.578
  450   HG12  VAL  58          HG12      VAL  58  -1.990  12.869  -9.052
  451   HG13  VAL  58          HG13      VAL  58  -2.055  12.200 -10.702
  452   HG21  VAL  58          HG21      VAL  58   0.412   9.988  -9.150
  453   HG22  VAL  58          HG22      VAL  58   0.056  11.084 -10.500
  454   HG23  VAL  58          HG23      VAL  58   0.291  11.744  -8.867
  455    H    ASN  59           H        ASN  59  -3.539   8.524  -7.684
  456    HA   ASN  59           HA       ASN  59  -5.604   9.951  -6.215
  457    HB2  ASN  59           HB2      ASN  59  -7.214  10.200  -7.819
  458    HB3  ASN  59           HB3      ASN  59  -5.753  10.632  -8.732
  459   HD21  ASN  59          HD21      ASN  59  -4.692   8.401  -9.722
  460   HD22  ASN  59          HD22      ASN  59  -5.871   7.461 -10.600
  461    H    GLU  60           H        GLU  60  -7.658   8.571  -6.028
  462    HA   GLU  60           HA       GLU  60  -6.957   6.107  -4.856
  463    HB2  GLU  60           HB2      GLU  60  -8.886   7.486  -4.244
  464    HB3  GLU  60           HB3      GLU  60  -9.642   7.151  -5.818
  465    HG2  GLU  60           HG2      GLU  60  -9.705   4.732  -5.268
  466    HG3  GLU  60           HG3      GLU  60  -8.932   5.060  -3.710
  467    H    ARG  61           H        ARG  61  -7.962   6.811  -8.226
  468    HA   ARG  61           HA       ARG  61  -8.767   4.175  -8.907
  469    HB2  ARG  61           HB2      ARG  61  -9.199   6.015 -10.397
  470    HB3  ARG  61           HB3      ARG  61  -7.479   6.426 -10.478
  471    HG2  ARG  61           HG2      ARG  61  -8.313   5.310 -12.530
  472    HG3  ARG  61           HG3      ARG  61  -6.956   4.468 -11.759
  473    HD2  ARG  61           HD2      ARG  61  -8.453   2.839 -10.762
  474    HD3  ARG  61           HD3      ARG  61  -9.874   3.732 -11.355
  475    HE   ARG  61           HE       ARG  61  -8.298   3.126 -13.605
  476   HH11  ARG  61          HH11      ARG  61 -10.098   1.368 -11.124
  477   HH12  ARG  61          HH12      ARG  61 -10.429  -0.001 -12.163
  478   HH21  ARG  61          HH21      ARG  61  -8.740   1.324 -14.941
  479   HH22  ARG  61          HH22      ARG  61  -9.666  -0.018 -14.315
  480    H    ASN  62           H        ASN  62  -5.528   5.696  -8.771
  481    HA   ASN  62           HA       ASN  62  -4.197   3.380  -9.887
  482    HB2  ASN  62           HB2      ASN  62  -3.342   5.870  -8.395
  483    HB3  ASN  62           HB3      ASN  62  -2.177   4.596  -8.847
  484   HD21  ASN  62          HD21      ASN  62  -2.776   3.787 -11.285
  485   HD22  ASN  62          HD22      ASN  62  -2.786   5.105 -12.443
  486    H    ALA  63           H        ALA  63  -5.310   4.285  -6.679
  487    HA   ALA  63           HA       ALA  63  -3.616   2.352  -5.311
  488    HB1  ALA  63           HB1      ALA  63  -6.111   3.805  -4.337
  489    HB2  ALA  63           HB2      ALA  63  -4.860   3.022  -3.344
  490    HB3  ALA  63           HB3      ALA  63  -4.466   4.474  -4.283
  491    H    ARG  64           H        ARG  64  -6.935   2.463  -6.580
  492    HA   ARG  64           HA       ARG  64  -7.764  -0.094  -5.518
  493    HB2  ARG  64           HB2      ARG  64  -8.654   1.496  -7.962
  494    HB3  ARG  64           HB3      ARG  64  -9.496   0.058  -7.356
  495    HG2  ARG  64           HG2      ARG  64  -9.067   2.571  -5.697
  496    HG3  ARG  64           HG3      ARG  64 -10.509   2.259  -6.685
  497    HD2  ARG  64           HD2      ARG  64 -10.930   0.185  -5.395
  498    HD3  ARG  64           HD3      ARG  64  -9.517   0.540  -4.381
  499    HE   ARG  64           HE       ARG  64 -11.367   2.766  -4.487
  500   HH11  ARG  64          HH11      ARG  64 -10.879  -0.380  -2.942
  501   HH12  ARG  64          HH12      ARG  64 -11.707   0.104  -1.478
  502   HH21  ARG  64          HH21      ARG  64 -12.475   3.324  -2.633
  503   HH22  ARG  64          HH22      ARG  64 -12.665   2.175  -1.318
  504    H    ALA  65           H        ALA  65  -5.792   0.889  -8.281
  505    HA   ALA  65           HA       ALA  65  -6.076  -1.682  -9.628
  506    HB1  ALA  65           HB1      ALA  65  -4.113   0.612 -10.025
  507    HB2  ALA  65           HB2      ALA  65  -4.389  -0.740 -11.147
  508    HB3  ALA  65           HB3      ALA  65  -5.686   0.439 -10.842
  509    H    ALA  66           H        ALA  66  -3.794  -0.178  -7.316
  510    HA   ALA  66           HA       ALA  66  -1.903  -2.379  -7.609
  511    HB1  ALA  66           HB1      ALA  66  -2.106  -0.127  -5.579
  512    HB2  ALA  66           HB2      ALA  66  -0.706  -1.210  -5.818
  513    HB3  ALA  66           HB3      ALA  66  -1.201  -0.088  -7.114
  514    H    VAL  67           H        VAL  67  -4.507  -1.458  -5.314
  515    HA   VAL  67           HA       VAL  67  -3.988  -3.530  -3.406
  516    HB   VAL  67           HB       VAL  67  -6.470  -1.984  -4.212
  517   HG11  VAL  67          HG11      VAL  67  -6.129  -3.962  -1.911
  518   HG12  VAL  67          HG12      VAL  67  -7.487  -2.823  -2.082
  519   HG13  VAL  67          HG13      VAL  67  -7.260  -4.110  -3.277
  520   HG21  VAL  67          HG21      VAL  67  -4.615  -0.757  -3.050
  521   HG22  VAL  67          HG22      VAL  67  -6.098  -0.848  -2.071
  522   HG23  VAL  67          HG23      VAL  67  -4.725  -1.917  -1.711
  523    H    ALA  68           H        ALA  68  -5.771  -3.466  -6.516
  524    HA   ALA  68           HA       ALA  68  -6.631  -6.245  -6.088
  525    HB1  ALA  68           HB1      ALA  68  -7.041  -4.353  -8.435
  526    HB2  ALA  68           HB2      ALA  68  -7.835  -5.927  -8.202
  527    HB3  ALA  68           HB3      ALA  68  -8.171  -4.587  -7.080
  528    H    GLY  69           H        GLY  69  -3.845  -4.684  -7.285
  529    HA2  GLY  69           HA2      GLY  69  -3.273  -6.815  -9.277
  530    HA3  GLY  69           HA3      GLY  69  -2.447  -5.265  -9.105
  531    H    GLU  70           H        GLU  70  -2.512  -6.045  -5.971
  532    HA   GLU  70           HA       GLU  70  -0.064  -7.774  -6.122
  533    HB2  GLU  70           HB2      GLU  70  -0.393  -5.072  -4.797
  534    HB3  GLU  70           HB3      GLU  70   0.911  -6.197  -4.396
  535    HG2  GLU  70           HG2      GLU  70   0.377  -5.238  -7.228
  536    HG3  GLU  70           HG3      GLU  70   1.472  -4.404  -6.119
  537    H    ASP  71           H        ASP  71  -3.006  -6.857  -4.356
  538    HA   ASP  71           HA       ASP  71  -2.265  -7.967  -1.847
  539    HB2  ASP  71           HB2      ASP  71  -4.274  -6.609  -2.144
  540    HB3  ASP  71           HB3      ASP  71  -4.962  -7.825  -3.240
  541    H    GLY  72           H        GLY  72  -1.623 -10.008  -1.400
  542    HA2  GLY  72           HA2      GLY  72  -1.867 -12.333  -1.271
  543    HA3  GLY  72           HA3      GLY  72  -3.125 -12.273  -2.521
  544    H    ARG  73           H        ARG  73  -0.401 -10.425  -3.432
  545    HA   ARG  73           HA       ARG  73   0.586 -12.446  -5.282
  546    HB2  ARG  73           HB2      ARG  73   2.006 -10.775  -6.109
  547    HB3  ARG  73           HB3      ARG  73   0.506  -9.938  -5.682
  548    HG2  ARG  73           HG2      ARG  73   1.851  -8.503  -4.538
  549    HG3  ARG  73           HG3      ARG  73   1.937  -9.780  -3.313
  550    HD2  ARG  73           HD2      ARG  73   4.182  -9.079  -3.863
  551    HD3  ARG  73           HD3      ARG  73   3.959 -10.688  -4.579
  552    HE   ARG  73           HE       ARG  73   3.467  -8.232  -6.185
  553   HH11  ARG  73          HH11      ARG  73   5.406 -11.178  -5.741
  554   HH12  ARG  73          HH12      ARG  73   6.140 -11.037  -7.320
  555   HH21  ARG  73          HH21      ARG  73   4.436  -8.096  -8.183
  556   HH22  ARG  73          HH22      ARG  73   5.613  -9.289  -8.694
  557    H    MET  74           H        MET  74   3.111 -12.866  -5.159
  558    HA   MET  74           HA       MET  74   3.704 -13.471  -2.293
  559    HB2  MET  74           HB2      MET  74   3.122 -15.421  -3.727
  560    HB3  MET  74           HB3      MET  74   4.550 -15.076  -4.726
  561    HG2  MET  74           HG2      MET  74   6.036 -15.508  -2.928
  562    HG3  MET  74           HG3      MET  74   4.754 -15.369  -1.716
  563    HE1  MET  74           HE1      MET  74   2.757 -18.607  -1.929
  564    HE2  MET  74           HE2      MET  74   3.120 -17.125  -1.015
  565    HE3  MET  74           HE3      MET  74   2.380 -17.010  -2.621
  566    H    ILE  75           H        ILE  75   5.320 -12.363  -1.486
  567    HA   ILE  75           HA       ILE  75   7.549 -11.621  -3.309
  568    HB   ILE  75           HB       ILE  75   5.710  -9.886  -1.888
  569   HG12  ILE  75          HG12      ILE  75   8.068  -9.433  -3.757
  570   HG13  ILE  75          HG11      ILE  75   6.402  -9.782  -4.239
  571   HG21  ILE  75          HG21      ILE  75   8.656  -9.507  -1.228
  572   HG22  ILE  75          HG22      ILE  75   7.343  -8.343  -0.892
  573   HG23  ILE  75          HG23      ILE  75   7.362  -9.909  -0.076
  574   HD11  ILE  75          HD11      ILE  75   6.881  -7.395  -4.444
  575   HD12  ILE  75          HD12      ILE  75   5.648  -7.656  -3.202
  576   HD13  ILE  75          HD13      ILE  75   7.330  -7.296  -2.728
  577    H    ALA  76           H        ALA  76   9.567 -11.952  -2.584
  578    HA   ALA  76           HA       ALA  76  11.160 -13.055  -1.455
  579    HB1  ALA  76           HB1      ALA  76   9.785 -11.984   1.022
  580    HB2  ALA  76           HB2      ALA  76  11.493 -12.456   0.849
  581    HB3  ALA  76           HB3      ALA  76  10.866 -11.031  -0.023
  582    H    GLY  77           H        GLY  77   8.408 -14.399  -1.860
  583    HA2  GLY  77           HA2      GLY  77   7.914 -16.667  -1.676
  584    HA3  GLY  77           HA3      GLY  77   9.073 -16.818  -0.328
  585    H    GLN  78           H        GLN  78   7.146 -14.088   0.241
  586    HA   GLN  78           HA       GLN  78   5.191 -15.662   1.843
  587    HB2  GLN  78           HB2      GLN  78   6.933 -14.861   3.288
  588    HB3  GLN  78           HB3      GLN  78   6.903 -13.267   2.542
  589    HG2  GLN  78           HG2      GLN  78   4.251 -13.826   3.527
  590    HG3  GLN  78           HG3      GLN  78   5.428 -14.188   4.807
  591   HE21  GLN  78          HE21      GLN  78   5.034 -11.741   2.181
  592   HE22  GLN  78          HE22      GLN  78   5.334 -10.355   3.207
  593    H    VAL  79           H        VAL  79   3.133 -15.147   1.557
  594    HA   VAL  79           HA       VAL  79   2.243 -13.422  -0.539
  595    HB   VAL  79           HB       VAL  79   0.714 -14.574   1.829
  596   HG11  VAL  79          HG11      VAL  79  -0.183 -13.662  -0.934
  597   HG12  VAL  79          HG12      VAL  79  -1.214 -14.464   0.271
  598   HG13  VAL  79          HG13      VAL  79  -0.556 -12.856   0.615
  599   HG21  VAL  79          HG21      VAL  79   1.897 -16.351   0.599
  600   HG22  VAL  79          HG22      VAL  79   0.155 -16.422   0.271
  601   HG23  VAL  79          HG23      VAL  79   1.244 -15.725  -0.941
  602    H    LEU  80           H        LEU  80   1.424 -11.368  -0.556
  603    HA   LEU  80           HA       LEU  80   1.827  -9.782   1.919
  604    HB2  LEU  80           HB2      LEU  80   1.178  -8.812  -0.883
  605    HB3  LEU  80           HB3      LEU  80   1.657  -7.835   0.511
  606    HG   LEU  80           HG       LEU  80   3.372  -9.851  -0.996
  607   HD11  LEU  80          HD11      LEU  80   4.758  -7.805  -1.355
  608   HD12  LEU  80          HD12      LEU  80   3.129  -7.675  -2.083
  609   HD13  LEU  80          HD13      LEU  80   3.505  -6.838  -0.556
  610   HD21  LEU  80          HD21      LEU  80   3.882 -10.011   1.403
  611   HD22  LEU  80          HD22      LEU  80   5.189  -9.174   0.548
  612   HD23  LEU  80          HD23      LEU  80   4.010  -8.235   1.506
  613    H    ASP  81           H        ASP  81   0.252  -8.305   2.676
  614    HA   ASP  81           HA       ASP  81  -2.556  -8.873   1.824
  615    HB2  ASP  81           HB2      ASP  81  -1.396  -8.438   4.591
  616    HB3  ASP  81           HB3      ASP  81  -3.116  -8.219   4.217
  617    H    ILE  82           H        ILE  82  -3.119  -7.161   0.610
  618    HA   ILE  82           HA       ILE  82  -2.055  -4.471   1.358
  619    HB   ILE  82           HB       ILE  82  -2.389  -5.786  -1.331
  620   HG12  ILE  82          HG12      ILE  82   0.069  -4.534  -0.061
  621   HG13  ILE  82          HG11      ILE  82  -0.356  -6.219   0.272
  622   HG21  ILE  82          HG21      ILE  82  -1.570  -2.935  -0.633
  623   HG22  ILE  82          HG22      ILE  82  -1.536  -3.646  -2.261
  624   HG23  ILE  82          HG23      ILE  82  -3.084  -3.397  -1.446
  625   HD11  ILE  82          HD11      ILE  82   0.061  -5.102  -2.512
  626   HD12  ILE  82          HD12      ILE  82   1.255  -6.036  -1.571
  627   HD13  ILE  82          HD13      ILE  82  -0.283  -6.796  -2.048
  628    H    ASN  83           H        ASN  83  -3.478  -2.812   1.416
  629    HA   ASN  83           HA       ASN  83  -6.109  -2.889   0.143
  630    HB2  ASN  83           HB2      ASN  83  -7.332  -2.564   2.283
  631    HB3  ASN  83           HB3      ASN  83  -6.628  -4.174   2.125
  632   HD21  ASN  83          HD21      ASN  83  -6.274  -0.999   3.745
  633   HD22  ASN  83          HD22      ASN  83  -5.293  -1.597   5.059
  634    H    LEU  84           H        LEU  84  -7.264  -0.713   0.579
  635    HA   LEU  84           HA       LEU  84  -5.389   1.438   0.317
  636    HB2  LEU  84           HB2      LEU  84  -8.340   1.494   1.075
  637    HB3  LEU  84           HB3      LEU  84  -7.364   2.902   0.633
  638    HG   LEU  84           HG       LEU  84  -8.069   0.559  -1.171
  639   HD11  LEU  84          HD11      LEU  84  -8.742   3.535  -1.157
  640   HD12  LEU  84          HD12      LEU  84  -9.206   2.389  -2.441
  641   HD13  LEU  84          HD13      LEU  84  -9.862   2.210  -0.790
  642   HD21  LEU  84          HD21      LEU  84  -6.919   1.884  -2.935
  643   HD22  LEU  84          HD22      LEU  84  -6.341   3.013  -1.687
  644   HD23  LEU  84          HD23      LEU  84  -5.788   1.319  -1.691
  645    H    ALA  85           H        ALA  85  -4.939   3.160   1.737
  646    HA   ALA  85           HA       ALA  85  -4.408   2.296   4.416
  647    HB1  ALA  85           HB1      ALA  85  -4.246   5.070   3.166
  648    HB2  ALA  85           HB2      ALA  85  -3.488   4.558   4.695
  649    HB3  ALA  85           HB3      ALA  85  -2.960   3.839   3.155
  650    H    ALA  86           H        ALA  86  -7.347   3.088   3.160
  651    HA   ALA  86           HA       ALA  86  -8.302   4.154   5.769
  652    HB1  ALA  86           HB1      ALA  86  -9.922   5.521   4.553
  653    HB2  ALA  86           HB2      ALA  86  -8.265   5.931   4.048
  654    HB3  ALA  86           HB3      ALA  86  -9.291   4.926   2.999
  655    H    GLU  87           H        GLU  87  -8.192   1.415   4.066
  656    HA   GLU  87           HA       GLU  87 -10.946   0.651   4.869
  657    HB2  GLU  87           HB2      GLU  87  -9.670   0.039   2.177
  658    HB3  GLU  87           HB3      GLU  87 -11.165  -0.686   2.796
  659    HG2  GLU  87           HG2      GLU  87 -12.151   1.609   3.002
  660    HG3  GLU  87           HG3      GLU  87 -10.702   2.259   2.212
  661    HA   PRO  88           HA       PRO  88  -7.906  -2.549   6.287
  662    HB2  PRO  88           HB2      PRO  88  -8.266  -2.325   8.962
  663    HB3  PRO  88           HB3      PRO  88  -7.172  -1.218   8.069
  664    HG2  PRO  88           HG2      PRO  88 -10.059  -0.725   8.867
  665    HG3  PRO  88           HG3      PRO  88  -8.646   0.350   9.132
  666    HD2  PRO  88           HD2      PRO  88 -10.344   0.650   6.998
  667    HD3  PRO  88           HD3      PRO  88  -8.593   0.978   6.861
  668    H    LYS  89           H        LYS  89 -10.509  -2.672   5.137
  669    HA   LYS  89           HA       LYS  89 -12.712  -3.461   6.530
  670    HB2  LYS  89           HB2      LYS  89 -13.068  -5.062   4.518
  671    HB3  LYS  89           HB3      LYS  89 -12.956  -3.322   4.211
  672    HG2  LYS  89           HG2      LYS  89 -10.751  -3.501   3.316
  673    HG3  LYS  89           HG3      LYS  89 -10.494  -5.104   4.007
  674    HD2  LYS  89           HD2      LYS  89 -10.881  -5.271   1.615
  675    HD3  LYS  89           HD3      LYS  89 -12.196  -6.051   2.504
  676    HE2  LYS  89           HE2      LYS  89 -13.598  -4.019   2.204
  677    HE3  LYS  89           HE3      LYS  89 -12.271  -3.229   1.335
  678    HZ1  LYS  89           HZ1      LYS  89 -12.431  -4.950  -0.334
  679    HZ2  LYS  89           HZ2      LYS  89 -13.660  -5.686   0.477
  680    HZ3  LYS  89           HZ3      LYS  89 -13.874  -4.185  -0.159
  681    H    VAL  90           H        VAL  90 -10.152  -5.723   5.493
  682    HA   VAL  90           HA       VAL  90 -10.802  -7.583   7.702
  683    HB   VAL  90           HB       VAL  90 -11.052  -8.203   4.731
  684   HG11  VAL  90          HG11      VAL  90 -10.871 -10.142   7.066
  685   HG12  VAL  90          HG12      VAL  90 -11.387 -10.573   5.417
  686   HG13  VAL  90          HG13      VAL  90  -9.737  -9.997   5.700
  687   HG21  VAL  90          HG21      VAL  90 -13.128  -7.403   5.761
  688   HG22  VAL  90          HG22      VAL  90 -13.250  -9.138   5.424
  689   HG23  VAL  90          HG23      VAL  90 -12.946  -8.581   7.085
  690    H    ASN  91           H        ASN  91  -8.773  -6.451   5.030
  691    HA   ASN  91           HA       ASN  91  -6.869  -8.588   5.223
  692    HB2  ASN  91           HB2      ASN  91  -6.548  -5.920   3.829
  693    HB3  ASN  91           HB3      ASN  91  -5.773  -7.469   3.430
  694   HD21  ASN  91          HD21      ASN  91  -7.408  -9.300   2.899
  695   HD22  ASN  91          HD22      ASN  91  -8.762  -8.832   1.888
  696    H    ARG  92           H        ARG  92  -7.347  -6.254   7.491
  697    HA   ARG  92           HA       ARG  92  -4.665  -5.240   7.833
  698    HB2  ARG  92           HB2      ARG  92  -6.653  -4.110   8.774
  699    HB3  ARG  92           HB3      ARG  92  -7.001  -5.541   9.758
  700    HG2  ARG  92           HG2      ARG  92  -5.947  -3.961  11.207
  701    HG3  ARG  92           HG3      ARG  92  -4.759  -5.225  10.889
  702    HD2  ARG  92           HD2      ARG  92  -3.738  -3.745   9.116
  703    HD3  ARG  92           HD3      ARG  92  -4.874  -2.468   9.580
  704    HE   ARG  92           HE       ARG  92  -2.515  -3.390  11.042
  705   HH11  ARG  92          HH11      ARG  92  -5.532  -1.546  11.214
  706   HH12  ARG  92          HH12      ARG  92  -5.017  -0.627  12.609
  707   HH21  ARG  92          HH21      ARG  92  -1.881  -2.182  12.833
  708   HH22  ARG  92          HH22      ARG  92  -2.949  -0.984  13.531
  709    H    GLY  93           H        GLY  93  -6.349  -8.208   8.801
  710    HA2  GLY  93           HA2      GLY  93  -5.651 -10.026  10.059
  711    HA3  GLY  93           HA3      GLY  93  -4.097  -9.746   9.260
  712    H    LYS  94           H        LYS  94  -2.635 -10.037  10.810
  713    HA   LYS  94           HA       LYS  94  -2.521  -8.054  12.969
  714    HB2  LYS  94           HB2      LYS  94  -3.862  -9.840  13.979
  715    HB3  LYS  94           HB3      LYS  94  -2.705 -11.060  13.412
  716    HG2  LYS  94           HG2      LYS  94  -2.355 -10.636  15.773
  717    HG3  LYS  94           HG3      LYS  94  -0.957 -10.095  14.821
  718    HD2  LYS  94           HD2      LYS  94  -1.785  -7.746  14.969
  719    HD3  LYS  94           HD3      LYS  94  -3.210  -8.310  15.863
  720    HE2  LYS  94           HE2      LYS  94  -1.585  -7.411  17.429
  721    HE3  LYS  94           HE3      LYS  94  -1.731  -9.161  17.664
  722    HZ1  LYS  94           HZ1      LYS  94   0.284  -9.442  16.390
  723    HZ2  LYS  94           HZ2      LYS  94   0.400  -7.824  16.126
  724    HZ3  LYS  94           HZ3      LYS  94   0.559  -8.423  17.647
  725    H    ALA  95           H        ALA  95  -1.042 -11.005  11.498
  726    HA   ALA  95           HA       ALA  95   1.607  -9.733  11.641
  727    HB1  ALA  95           HB1      ALA  95   0.900 -12.288  13.142
  728    HB2  ALA  95           HB2      ALA  95   2.543 -11.632  12.949
  729    HB3  ALA  95           HB3      ALA  95   1.330 -10.729  13.880
  730    H    GLY  96           H        GLY  96   3.302 -11.233  10.716
  731    HA2  GLY  96           HA2      GLY  96   2.400 -12.239   8.179
  732    HA3  GLY  96           HA3      GLY  96   4.051 -12.321   8.836
  733    H    VAL  97           H        VAL  97   2.496 -13.680  11.299
  734    HA   VAL  97           HA       VAL  97   2.305 -16.367  10.036
  735    HB   VAL  97           HB       VAL  97   4.160 -16.203  11.595
  736   HG11  VAL  97          HG11      VAL  97   3.274 -14.413  13.077
  737   HG12  VAL  97          HG12      VAL  97   2.084 -15.568  13.732
  738   HG13  VAL  97          HG13      VAL  97   3.821 -15.833  13.984
  739   HG21  VAL  97          HG21      VAL  97   1.849 -17.823  12.746
  740   HG22  VAL  97          HG22      VAL  97   2.878 -18.326  11.381
  741   HG23  VAL  97          HG23      VAL  97   3.576 -18.124  13.002
  742    H    LYS  98           H        LYS  98   0.433 -17.448  10.175
  743    HA   LYS  98           HA       LYS  98  -1.736 -16.270  11.833
  744    HB2  LYS  98           HB2      LYS  98  -1.882 -17.200   8.942
  745    HB3  LYS  98           HB3      LYS  98  -3.259 -16.633   9.908
  746    HG2  LYS  98           HG2      LYS  98  -2.288 -14.410  10.106
  747    HG3  LYS  98           HG3      LYS  98  -0.768 -14.950   9.358
  748    HD2  LYS  98           HD2      LYS  98  -1.941 -15.478   7.277
  749    HD3  LYS  98           HD3      LYS  98  -3.467 -14.875   7.980
  750    HE2  LYS  98           HE2      LYS  98  -2.412 -12.651   8.317
  751    HE3  LYS  98           HE3      LYS  98  -0.906 -13.260   7.613
  752    HZ1  LYS  98           HZ1      LYS  98  -2.111 -13.648   5.560
  753    HZ2  LYS  98           HZ2      LYS  98  -3.499 -13.066   6.225
  754    HZ3  LYS  98           HZ3      LYS  98  -2.214 -12.072   5.997
  755    H    ARG  99           H        ARG  99   0.158 -18.648  12.030
  756    HA   ARG  99           HA       ARG  99  -1.812 -20.874  12.078
  757    HB2  ARG  99           HB2      ARG  99   0.468 -20.929  10.802
  758    HB3  ARG  99           HB3      ARG  99   1.195 -21.084  12.403
  759    HG2  ARG  99           HG2      ARG  99   0.935 -23.272  11.392
  760    HG3  ARG  99           HG3      ARG  99  -0.154 -23.163  12.776
  761    HD2  ARG  99           HD2      ARG  99  -2.049 -22.683  11.261
  762    HD3  ARG  99           HD3      ARG  99  -0.942 -22.698   9.870
  763    HE   ARG  99           HE       ARG  99  -0.703 -25.160  11.305
  764   HH11  ARG  99          HH11      ARG  99  -2.973 -23.447   9.197
  765   HH12  ARG  99          HH12      ARG  99  -3.689 -24.924   8.593
  766   HH21  ARG  99          HH21      ARG  99  -1.634 -27.036  10.506
  767   HH22  ARG  99          HH22      ARG  99  -2.928 -26.960   9.327
  768    H    SER 100           H        SER 100  -1.259 -22.485  13.992
  769    HA   SER 100           HA       SER 100  -1.766 -21.194  16.455
  770    HB2  SER 100           HB2      SER 100  -0.668 -23.944  15.781
  771    HB3  SER 100           HB3      SER 100  -1.247 -23.465  17.384
  772    HG   SER 100           HG       SER 100  -2.876 -24.489  16.129
  773    H    ALA 101           H        ALA 101   1.219 -21.586  14.744
  774    HA   ALA 101           HA       ALA 101   3.391 -21.410  15.262
  775    HB1  ALA 101           HB1      ALA 101   2.364 -19.509  17.395
  776    HB2  ALA 101           HB2      ALA 101   4.008 -19.545  16.713
  777    HB3  ALA 101           HB3      ALA 101   2.631 -19.107  15.683
  778    H    ALA 102           H        ALA 102   1.668 -23.423  16.871
  779    HA   ALA 102           HA       ALA 102   3.861 -24.259  18.634
  780    HB1  ALA 102           HB1      ALA 102   2.345 -24.568  20.550
  781    HB2  ALA 102           HB2      ALA 102   2.431 -22.860  20.073
  782    HB3  ALA 102           HB3      ALA 102   1.011 -23.835  19.625
  783    H    GLU 103           H        GLU 103   2.180 -25.059  16.091
  784    HA   GLU 103           HA       GLU 103   0.777 -27.452  16.824
  785    HB2  GLU 103           HB2      GLU 103   0.695 -27.833  14.386
  786    HB3  GLU 103           HB3      GLU 103   0.168 -26.205  14.852
  787    HG2  GLU 103           HG2      GLU 103   2.287 -25.241  14.152
  788    HG3  GLU 103           HG3      GLU 103   2.981 -26.851  13.887
  789    H    MET 104           H        MET 104   4.040 -26.878  16.895
  790    HA   MET 104           HA       MET 104   4.721 -29.702  16.229
  791    HB2  MET 104           HB2      MET 104   6.459 -27.212  16.338
  792    HB3  MET 104           HB3      MET 104   7.059 -28.856  16.043
  793    HG2  MET 104           HG2      MET 104   5.616 -29.043  14.057
  794    HG3  MET 104           HG3      MET 104   4.998 -27.413  14.331
  795    HE1  MET 104           HE1      MET 104   7.966 -25.092  13.535
  796    HE2  MET 104           HE2      MET 104   6.245 -25.237  13.969
  797    HE3  MET 104           HE3      MET 104   7.504 -25.695  15.140
  798    H    TYR 105           H        TYR 105   3.751 -28.058  18.849
  799    HA   TYR 105           HA       TYR 105   5.582 -29.560  20.649
  800    HB2  TYR 105           HB2      TYR 105   4.629 -26.723  21.127
  801    HB3  TYR 105           HB3      TYR 105   5.732 -27.661  22.137
  802    HD1  TYR 105           HD1      TYR 105   8.051 -28.138  21.350
  803    HD2  TYR 105           HD2      TYR 105   5.372 -25.594  19.159
  804    HE1  TYR 105           HE1      TYR 105   9.973 -27.232  20.070
  805    HE2  TYR 105           HE2      TYR 105   7.286 -24.666  17.877
  806    HH   TYR 105           HH       TYR 105  10.650 -25.775  18.436
  807    H    GLY 106           H        GLY 106   2.485 -29.237  19.580
  808    HA2  GLY 106           HA2      GLY 106   1.308 -30.737  21.658
  809    HA3  GLY 106           HA3      GLY 106   0.909 -29.029  21.932
  810    H5'    U   1           H5'        U   1   3.290  -6.710  11.051
  811   H5''    U   1          H5''        U   1   1.748  -7.497  10.674
  812    H4'    U   1           H4'        U   1   2.889  -4.931   9.471
  813    H3'    U   1           H3'        U   1   1.473  -5.169  11.747
  814    H2'    U   1           H2'        U   1  -0.208  -6.602  10.902
  815   HO2'    U   1          HO2'        U   1  -1.118  -4.482  11.660
  816    H1'    U   1           H1'        U   1  -0.557  -4.905   8.436
  817    H3     U   1           H3         U   1  -3.053  -7.964   6.269
  818    H5     U   1           H5         U   1  -1.107 -10.246   9.208
  819    H6     U   1           H6         U   1   0.134  -8.278   9.834
  820    H5'    U   2           H5'        U   2   1.442  -0.699   9.539
  821   H5''    U   2          H5''        U   2   1.822  -0.069  11.154
  822    H4'    U   2           H4'        U   2   1.042   1.786   9.903
  823    H3'    U   2           H3'        U   2  -0.405   0.876  12.215
  824    H2'    U   2           H2'        U   2  -2.320   0.354  10.963
  825   HO2'    U   2          HO2'        U   2  -2.902   2.139  12.358
  826    H1'    U   2           H1'        U   2  -1.576   2.701   9.193
  827    H3     U   2           H3         U   2  -5.111   2.492   6.481
  828    H5     U   2           H5         U   2  -4.716  -1.492   7.746
  829    H6     U   2           H6         U   2  -2.804  -0.808   9.091
  830    H5'    U   3           H5'        U   3   2.841   2.266  10.611
  831   H5''    U   3          H5''        U   3   3.759   2.907  11.980
  832    H4'    U   3           H4'        U   3   5.012   3.477  10.054
  833    H3'    U   3           H3'        U   3   4.179   5.469  11.741
  834    H2'    U   3           H2'        U   3   2.296   6.156  10.479
  835   HO2'    U   3          HO2'        U   3   4.103   7.860  10.463
  836    H1'    U   3           H1'        U   3   3.831   5.843   7.901
  837    H3     U   3           H3         U   3   0.178   6.636   5.416
  838    H5     U   3           H5         U   3  -1.422   4.815   8.863
  839    H6     U   3           H6         U   3   0.835   4.624   9.726
  840    H5'    U   4           H5'        U   4   8.115   5.038   9.776
  841   H5''    U   4          H5''        U   4   9.118   5.604  11.117
  842    H4'    U   4           H4'        U   4  10.441   5.316   9.084
  843    H3'    U   4           H3'        U   4  10.582   7.525  10.726
  844    H2'    U   4           H2'        U   4   9.141   8.902   9.471
  845   HO2'    U   4          HO2'        U   4  11.196   9.949   9.519
  846    H1'    U   4           H1'        U   4  10.261   7.968   6.835
  847    H3     U   4           H3         U   4   7.346  11.246   5.522
  848    H5     U   4           H5         U   4   4.942   8.266   7.259
  849    H6     U   4           H6         U   4   6.940   7.174   8.026
  850    H5'    C   5           H5'        C   5  13.659   8.964  10.761
  851   H5''    C   5          H5''        C   5  15.024   7.999  11.372
  852    H4'    C   5           H4'        C   5  12.771   9.122  13.107
  853    H3'    C   5           H3'        C   5  15.591  10.122  12.575
  854    H2'    C   5           H2'        C   5  15.543  11.007  14.784
  855   HO2'    C   5          HO2'        C   5  13.407  11.940  14.549
  856    H1'    C   5           H1'        C   5  13.883   8.931  15.782
  857    H41    C   5           H41        C   5  20.324   7.610  16.781
  858    H42    C   5           H42        C   5  19.638   7.866  18.375
  859    H5     C   5           H5         C   5  17.305   8.495  18.731
  860    H6     C   5           H6         C   5  15.214   9.008  17.628
  Start of MODEL   13
    1    H1   ALA   2           H1       ALA   2  11.702   8.680  -5.834
    2    H2   ALA   2           H2       ALA   2  11.103   7.313  -5.121
    3    H3   ALA   2           H3       ALA   2  10.672   7.694  -6.674
    4    HA   ALA   2           HA       ALA   2   9.544   9.654  -5.944
    5    HB1  ALA   2           HB1      ALA   2   8.655   7.139  -4.474
    6    HB2  ALA   2           HB2      ALA   2   7.636   8.540  -4.874
    7    HB3  ALA   2           HB3      ALA   2   8.291   7.530  -6.173
    8    H    SER   3           H        SER   3   8.320  10.508  -3.898
    9    HA   SER   3           HA       SER   3  10.301  11.419  -2.052
   10    HB2  SER   3           HB2      SER   3   8.315  12.726  -2.686
   11    HB3  SER   3           HB3      SER   3   7.265  11.520  -1.903
   12    HG   SER   3           HG       SER   3   7.779  13.349  -0.577
   13    H    ASN   4           H        ASN   4  10.302  11.140   0.275
   14    HA   ASN   4           HA       ASN   4   9.840   8.331   1.036
   15    HB2  ASN   4           HB2      ASN   4  11.163   8.936   3.028
   16    HB3  ASN   4           HB3      ASN   4  12.003   9.331   1.522
   17   HD21  ASN   4          HD21      ASN   4  10.252  10.669   4.325
   18   HD22  ASN   4          HD22      ASN   4  10.822  12.309   4.125
   19    H    VAL   5           H        VAL   5   7.878  10.963   0.937
   20    HA   VAL   5           HA       VAL   5   6.707  10.590   3.622
   21    HB   VAL   5           HB       VAL   5   6.169  12.618   1.423
   22   HG11  VAL   5          HG11      VAL   5   4.863  13.824   3.127
   23   HG12  VAL   5          HG12      VAL   5   4.154  12.229   2.818
   24   HG13  VAL   5          HG13      VAL   5   5.138  12.503   4.283
   25   HG21  VAL   5          HG21      VAL   5   8.374  12.865   2.520
   26   HG22  VAL   5          HG22      VAL   5   7.276  14.170   3.009
   27   HG23  VAL   5          HG23      VAL   5   7.593  12.812   4.118
   28    H    THR   6           H        THR   6   4.843   9.574   4.017
   29    HA   THR   6           HA       THR   6   2.965   8.980   1.830
   30    HB   THR   6           HB       THR   6   2.855   6.584   2.469
   31    HG1  THR   6           HG1      THR   6   3.793   6.682   4.507
   32   HG21  THR   6          HG21      THR   6   5.646   7.397   1.596
   33   HG22  THR   6          HG22      THR   6   4.850   5.832   1.330
   34   HG23  THR   6          HG23      THR   6   4.216   7.279   0.526
   35    H    ASN   7           H        ASN   7   3.262  10.376   4.757
   36    HA   ASN   7           HA       ASN   7   0.707   9.178   5.711
   37    HB2  ASN   7           HB2      ASN   7   2.629   8.654   7.166
   38    HB3  ASN   7           HB3      ASN   7   2.902  10.384   7.413
   39   HD21  ASN   7          HD21      ASN   7   2.541   9.018   9.649
   40   HD22  ASN   7          HD22      ASN   7   0.946   9.287  10.328
   41    H    LYS   8           H        LYS   8  -0.823  10.491   5.055
   42    HA   LYS   8           HA       LYS   8  -0.997  13.187   6.223
   43    HB2  LYS   8           HB2      LYS   8  -1.367  12.655   3.245
   44    HB3  LYS   8           HB3      LYS   8  -1.901  14.115   4.095
   45    HG2  LYS   8           HG2      LYS   8   0.497  14.450   4.855
   46    HG3  LYS   8           HG3      LYS   8   0.960  13.137   3.750
   47    HD2  LYS   8           HD2      LYS   8  -0.473  15.702   2.959
   48    HD3  LYS   8           HD3      LYS   8   1.256  15.392   2.747
   49    HE2  LYS   8           HE2      LYS   8   0.742  13.466   1.275
   50    HE3  LYS   8           HE3      LYS   8  -0.989  13.767   1.481
   51    HZ1  LYS   8           HZ1      LYS   8  -0.677  15.924   0.479
   52    HZ2  LYS   8           HZ2      LYS   8   0.931  15.651   0.282
   53    HZ3  LYS   8           HZ3      LYS   8  -0.157  14.741  -0.539
   54    H    THR   9           H        THR   9  -3.367  13.928   6.060
   55    HA   THR   9           HA       THR   9  -5.128  11.522   6.030
   56    HB   THR   9           HB       THR   9  -6.256  12.347   8.032
   57    HG1  THR   9           HG1      THR   9  -5.243  14.025   9.194
   58   HG21  THR   9          HG21      THR   9  -4.386  10.712   8.213
   59   HG22  THR   9          HG22      THR   9  -3.243  12.055   8.433
   60   HG23  THR   9          HG23      THR   9  -4.510  11.755   9.644
   61    H    ASP  10           H        ASP  10  -4.700  13.851   4.083
   62    HA   ASP  10           HA       ASP  10  -7.098  15.408   4.194
   63    HB2  ASP  10           HB2      ASP  10  -5.442  14.703   1.745
   64    HB3  ASP  10           HB3      ASP  10  -6.537  16.071   1.919
   65    HA   PRO  11           HA       PRO  11 -10.129  12.589   2.839
   66    HB2  PRO  11           HB2      PRO  11 -11.864  14.117   1.372
   67    HB3  PRO  11           HB3      PRO  11 -11.634  14.316   3.137
   68    HG2  PRO  11           HG2      PRO  11 -10.282  15.879   0.911
   69    HG3  PRO  11           HG3      PRO  11 -11.160  16.536   2.336
   70    HD2  PRO  11           HD2      PRO  11  -8.475  16.287   2.365
   71    HD3  PRO  11           HD3      PRO  11  -9.426  15.855   3.815
   72    H    ARG  12           H        ARG  12  -7.744  13.476   0.796
   73    HA   ARG  12           HA       ARG  12  -8.759  11.634  -1.300
   74    HB2  ARG  12           HB2      ARG  12  -8.691  14.380  -1.675
   75    HB3  ARG  12           HB3      ARG  12  -7.140  13.867  -2.363
   76    HG2  ARG  12           HG2      ARG  12  -9.873  12.712  -3.044
   77    HG3  ARG  12           HG3      ARG  12  -9.004  13.902  -4.026
   78    HD2  ARG  12           HD2      ARG  12  -7.149  12.262  -4.340
   79    HD3  ARG  12           HD3      ARG  12  -8.069  11.070  -3.406
   80    HE   ARG  12           HE       ARG  12  -9.543  10.767  -5.183
   81   HH11  ARG  12          HH11      ARG  12  -7.335  13.442  -5.892
   82   HH12  ARG  12          HH12      ARG  12  -7.789  13.513  -7.580
   83   HH21  ARG  12          HH21      ARG  12 -10.102  10.887  -7.381
   84   HH22  ARG  12          HH22      ARG  12  -9.360  12.082  -8.413
   85    H    SER  13           H        SER  13  -6.043  13.113   0.464
   86    HA   SER  13           HA       SER  13  -4.025  11.769  -1.116
   87    HB2  SER  13           HB2      SER  13  -2.464  12.609   0.516
   88    HB3  SER  13           HB3      SER  13  -3.655  13.890   0.179
   89    HG   SER  13           HG       SER  13  -3.416  13.725   2.368
   90    H    MET  14           H        MET  14  -5.837  10.974   1.869
   91    HA   MET  14           HA       MET  14  -4.134   8.623   2.241
   92    HB2  MET  14           HB2      MET  14  -5.137   8.308   4.289
   93    HB3  MET  14           HB3      MET  14  -5.084  10.070   4.112
   94    HG2  MET  14           HG2      MET  14  -7.442  10.116   3.487
   95    HG3  MET  14           HG3      MET  14  -7.513   8.349   3.503
   96    HE1  MET  14           HE1      MET  14  -7.062   7.470   7.298
   97    HE2  MET  14           HE2      MET  14  -7.170   6.845   5.641
   98    HE3  MET  14           HE3      MET  14  -5.702   7.683   6.177
   99    H    ASN  15           H        ASN  15  -6.647   9.323   0.176
  100    HA   ASN  15           HA       ASN  15  -7.598   6.500   0.124
  101    HB2  ASN  15           HB2      ASN  15  -8.670   9.038  -1.159
  102    HB3  ASN  15           HB3      ASN  15  -9.316   7.410  -1.444
  103   HD21  ASN  15          HD21      ASN  15  -8.929  10.003   0.963
  104   HD22  ASN  15          HD22      ASN  15 -10.100   9.361   2.099
  105    H    SER  16           H        SER  16  -5.524   8.803  -1.460
  106    HA   SER  16           HA       SER  16  -5.228   7.115  -3.855
  107    HB2  SER  16           HB2      SER  16  -3.734   9.627  -3.025
  108    HB3  SER  16           HB3      SER  16  -3.747   8.869  -4.634
  109    HG   SER  16           HG       SER  16  -5.897  10.091  -3.242
  110    H    ARG  17           H        ARG  17  -4.481   6.406  -0.924
  111    HA   ARG  17           HA       ARG  17  -1.572   5.805  -1.280
  112    HB2  ARG  17           HB2      ARG  17  -2.310   7.346   0.533
  113    HB3  ARG  17           HB3      ARG  17  -3.238   6.007   1.237
  114    HG2  ARG  17           HG2      ARG  17  -1.144   4.697   1.521
  115    HG3  ARG  17           HG3      ARG  17  -0.224   6.041   0.790
  116    HD2  ARG  17           HD2      ARG  17  -1.866   6.130   3.348
  117    HD3  ARG  17           HD3      ARG  17  -0.097   6.206   3.224
  118    HE   ARG  17           HE       ARG  17  -0.661   8.307   1.733
  119   HH11  ARG  17          HH11      ARG  17  -2.218   7.387   4.782
  120   HH12  ARG  17          HH12      ARG  17  -2.785   9.012   5.087
  121   HH21  ARG  17          HH21      ARG  17  -1.447  10.355   2.141
  122   HH22  ARG  17          HH22      ARG  17  -2.368  10.684   3.596
  123    H    VAL  18           H        VAL  18  -0.855   3.707  -0.525
  124    HA   VAL  18           HA       VAL  18  -3.023   1.694  -0.147
  125    HB   VAL  18           HB       VAL  18  -0.561   1.370  -1.896
  126   HG11  VAL  18          HG11      VAL  18  -1.584  -0.838  -2.411
  127   HG12  VAL  18          HG12      VAL  18  -1.079  -0.709  -0.715
  128   HG13  VAL  18          HG13      VAL  18  -2.801  -0.549  -1.143
  129   HG21  VAL  18          HG21      VAL  18  -2.284   2.678  -3.012
  130   HG22  VAL  18          HG22      VAL  18  -2.352   1.011  -3.644
  131   HG23  VAL  18          HG23      VAL  18  -3.551   1.554  -2.459
  132    H    PHE  19           H        PHE  19  -2.766   0.390   1.506
  133    HA   PHE  19           HA       PHE  19  -0.290   0.503   3.118
  134    HB2  PHE  19           HB2      PHE  19  -2.426   0.850   4.252
  135    HB3  PHE  19           HB3      PHE  19  -3.069  -0.639   3.568
  136    HD1  PHE  19           HD1      PHE  19   0.187   0.113   5.306
  137    HD2  PHE  19           HD2      PHE  19  -3.468  -2.143   5.256
  138    HE1  PHE  19           HE1      PHE  19   0.951  -1.169   7.283
  139    HE2  PHE  19           HE2      PHE  19  -2.697  -3.440   7.224
  140    HZ   PHE  19           HZ       PHE  19  -0.484  -2.961   8.237
  141    H    ILE  20           H        ILE  20   1.146  -1.158   3.167
  142    HA   ILE  20           HA       ILE  20   0.389  -3.709   1.806
  143    HB   ILE  20           HB       ILE  20   3.062  -2.262   1.868
  144   HG12  ILE  20          HG12      ILE  20   1.373  -2.891  -0.582
  145   HG13  ILE  20          HG11      ILE  20   1.177  -1.388   0.320
  146   HG21  ILE  20          HG21      ILE  20   2.277  -4.886   0.513
  147   HG22  ILE  20          HG22      ILE  20   3.843  -4.070   0.334
  148   HG23  ILE  20          HG23      ILE  20   3.366  -4.726   1.903
  149   HD11  ILE  20          HD11      ILE  20   3.768  -2.351  -0.956
  150   HD12  ILE  20          HD12      ILE  20   2.703  -1.058  -1.555
  151   HD13  ILE  20          HD13      ILE  20   3.572  -0.854  -0.017
  152    H    GLY  21           H        GLY  21  -0.338  -4.502   3.819
  153    HA2  GLY  21           HA2      GLY  21   1.531  -4.687   6.068
  154    HA3  GLY  21           HA3      GLY  21  -0.104  -5.356   5.974
  155    H    ASN  22           H        ASN  22   1.744  -6.925   7.106
  156    HA   ASN  22           HA       ASN  22   2.858  -8.879   7.034
  157    HB2  ASN  22           HB2      ASN  22   0.483  -9.533   6.453
  158    HB3  ASN  22           HB3      ASN  22   0.964  -9.535   4.760
  159   HD21  ASN  22          HD21      ASN  22   0.238 -11.817   4.906
  160   HD22  ASN  22          HD22      ASN  22   1.416 -13.022   5.395
  161    H    LEU  23           H        LEU  23   4.401  -7.022   5.817
  162    HA   LEU  23           HA       LEU  23   5.340  -8.184   3.256
  163    HB2  LEU  23           HB2      LEU  23   4.829  -5.774   3.376
  164    HB3  LEU  23           HB3      LEU  23   6.003  -5.582   4.679
  165    HG   LEU  23           HG       LEU  23   7.830  -6.246   3.150
  166   HD11  LEU  23          HD11      LEU  23   5.624  -6.360   1.051
  167   HD12  LEU  23          HD12      LEU  23   7.368  -6.369   0.703
  168   HD13  LEU  23          HD13      LEU  23   6.640  -7.719   1.596
  169   HD21  LEU  23          HD21      LEU  23   7.160  -3.873   3.374
  170   HD22  LEU  23          HD22      LEU  23   7.788  -4.231   1.750
  171   HD23  LEU  23          HD23      LEU  23   6.034  -4.068   2.016
  172    H    ASN  24           H        ASN  24   7.490  -8.945   2.976
  173    HA   ASN  24           HA       ASN  24   8.595 -10.173   5.319
  174    HB2  ASN  24           HB2      ASN  24   8.698 -11.038   2.909
  175    HB3  ASN  24           HB3      ASN  24   9.901  -9.795   2.595
  176   HD21  ASN  24          HD21      ASN  24  11.737 -11.038   2.311
  177   HD22  ASN  24          HD22      ASN  24  12.383 -12.110   3.540
  178    H    THR  25           H        THR  25   9.470  -7.368   3.360
  179    HA   THR  25           HA       THR  25  10.905  -5.687   3.527
  180    HB   THR  25           HB       THR  25  11.107  -4.544   5.579
  181    HG1  THR  25           HG1      THR  25  10.416  -7.012   6.776
  182   HG21  THR  25          HG21      THR  25   8.762  -4.569   6.402
  183   HG22  THR  25          HG22      THR  25   8.858  -4.556   4.626
  184   HG23  THR  25          HG23      THR  25   8.464  -6.062   5.496
  185    H    LEU  26           H        LEU  26  12.047  -8.689   4.342
  186    HA   LEU  26           HA       LEU  26  14.769  -7.787   5.041
  187    HB2  LEU  26           HB2      LEU  26  13.240 -10.353   4.990
  188    HB3  LEU  26           HB3      LEU  26  14.975 -10.456   4.664
  189    HG   LEU  26           HG       LEU  26  15.481  -9.262   6.761
  190   HD11  LEU  26          HD11      LEU  26  13.723  -8.937   8.456
  191   HD12  LEU  26          HD12      LEU  26  13.373  -7.972   7.007
  192   HD13  LEU  26          HD13      LEU  26  12.495  -9.496   7.307
  193   HD21  LEU  26          HD21      LEU  26  13.655 -11.676   7.087
  194   HD22  LEU  26          HD22      LEU  26  15.395 -11.730   6.706
  195   HD23  LEU  26          HD23      LEU  26  14.849 -11.103   8.278
  196    H    VAL  27           H        VAL  27  12.910  -8.503   2.216
  197    HA   VAL  27           HA       VAL  27  15.428  -8.542   0.603
  198    HB   VAL  27           HB       VAL  27  12.866 -10.099   0.091
  199   HG11  VAL  27          HG11      VAL  27  15.500 -10.016  -1.442
  200   HG12  VAL  27          HG12      VAL  27  14.185 -11.176  -1.729
  201   HG13  VAL  27          HG13      VAL  27  13.914  -9.458  -2.032
  202   HG21  VAL  27          HG21      VAL  27  14.216 -11.077   1.915
  203   HG22  VAL  27          HG22      VAL  27  14.316 -12.083   0.457
  204   HG23  VAL  27          HG23      VAL  27  15.665 -11.010   0.888
  205    H    VAL  28           H        VAL  28  12.295  -7.140   1.212
  206    HA   VAL  28           HA       VAL  28  12.567  -5.551  -1.304
  207    HB   VAL  28           HB       VAL  28  10.067  -6.156   0.319
  208   HG11  VAL  28          HG11      VAL  28  10.452  -4.702  -2.334
  209   HG12  VAL  28          HG12      VAL  28   8.887  -5.108  -1.591
  210   HG13  VAL  28          HG13      VAL  28   9.971  -3.950  -0.794
  211   HG21  VAL  28          HG21      VAL  28  10.799  -8.145  -0.913
  212   HG22  VAL  28          HG22      VAL  28   9.409  -7.419  -1.754
  213   HG23  VAL  28          HG23      VAL  28  11.053  -7.171  -2.383
  214    H    LYS  29           H        LYS  29  12.829  -3.434  -1.198
  215    HA   LYS  29           HA       LYS  29  12.639  -2.091   1.469
  216    HB2  LYS  29           HB2      LYS  29  14.650  -1.541  -0.750
  217    HB3  LYS  29           HB3      LYS  29  14.607  -0.798   0.847
  218    HG2  LYS  29           HG2      LYS  29  15.267  -3.684   0.191
  219    HG3  LYS  29           HG3      LYS  29  16.364  -2.416   0.785
  220    HD2  LYS  29           HD2      LYS  29  15.014  -2.279   2.881
  221    HD3  LYS  29           HD3      LYS  29  14.038  -3.659   2.299
  222    HE2  LYS  29           HE2      LYS  29  16.057  -5.058   2.178
  223    HE3  LYS  29           HE3      LYS  29  17.051  -3.698   2.730
  224    HZ1  LYS  29           HZ1      LYS  29  16.485  -5.181   4.526
  225    HZ2  LYS  29           HZ2      LYS  29  15.806  -3.707   4.783
  226    HZ3  LYS  29           HZ3      LYS  29  14.875  -4.960   4.271
  227    H    LYS  30           H        LYS  30  12.857   0.352   1.052
  228    HA   LYS  30           HA       LYS  30  10.464   1.164  -0.359
  229    HB2  LYS  30           HB2      LYS  30  11.074   3.412   0.474
  230    HB3  LYS  30           HB3      LYS  30  11.080   2.161   1.730
  231    HG2  LYS  30           HG2      LYS  30  13.681   2.009   1.050
  232    HG3  LYS  30           HG3      LYS  30  13.382   3.696   0.579
  233    HD2  LYS  30           HD2      LYS  30  12.752   2.407   3.265
  234    HD3  LYS  30           HD3      LYS  30  14.135   3.468   2.947
  235    HE2  LYS  30           HE2      LYS  30  12.603   5.331   2.396
  236    HE3  LYS  30           HE3      LYS  30  11.204   4.280   2.672
  237    HZ1  LYS  30           HZ1      LYS  30  11.906   4.056   4.958
  238    HZ2  LYS  30           HZ2      LYS  30  13.208   5.022   4.696
  239    HZ3  LYS  30           HZ3      LYS  30  11.686   5.636   4.584
  240    H    SER  31           H        SER  31  13.568   0.562  -1.449
  241    HA   SER  31           HA       SER  31  13.306   2.403  -3.766
  242    HB2  SER  31           HB2      SER  31  15.594   0.591  -2.912
  243    HB3  SER  31           HB3      SER  31  15.612   1.744  -4.270
  244    HG   SER  31           HG       SER  31  16.539   2.622  -2.370
  245    H    ASP  32           H        ASP  32  12.158  -0.578  -2.863
  246    HA   ASP  32           HA       ASP  32  12.376  -1.701  -5.612
  247    HB2  ASP  32           HB2      ASP  32  12.104  -2.987  -2.865
  248    HB3  ASP  32           HB3      ASP  32  11.862  -3.854  -4.382
  249    H    VAL  33           H        VAL  33  10.226  -0.879  -2.859
  250    HA   VAL  33           HA       VAL  33   7.839  -1.993  -3.982
  251    HB   VAL  33           HB       VAL  33   8.353   0.283  -2.043
  252   HG11  VAL  33          HG11      VAL  33   5.729  -1.155  -2.640
  253   HG12  VAL  33          HG12      VAL  33   5.990   0.078  -1.388
  254   HG13  VAL  33          HG13      VAL  33   6.101   0.523  -3.099
  255   HG21  VAL  33          HG21      VAL  33   7.631  -1.391  -0.361
  256   HG22  VAL  33          HG22      VAL  33   7.464  -2.605  -1.648
  257   HG23  VAL  33          HG23      VAL  33   9.065  -1.942  -1.248
  258    H    GLU  34           H        GLU  34   9.628   1.037  -4.494
  259    HA   GLU  34           HA       GLU  34   7.496   2.208  -6.087
  260    HB2  GLU  34           HB2      GLU  34   9.066   4.020  -6.505
  261    HB3  GLU  34           HB3      GLU  34   8.957   3.636  -4.777
  262    HG2  GLU  34           HG2      GLU  34  11.054   2.349  -4.904
  263    HG3  GLU  34           HG3      GLU  34  11.143   2.630  -6.651
  264    H    ALA  35           H        ALA  35   9.248  -0.415  -6.749
  265    HA   ALA  35           HA       ALA  35   9.301   0.209  -9.658
  266    HB1  ALA  35           HB1      ALA  35  11.596   0.016  -8.765
  267    HB2  ALA  35           HB2      ALA  35  11.199  -1.577  -8.090
  268    HB3  ALA  35           HB3      ALA  35  11.207  -1.332  -9.857
  269    H    ILE  36           H        ILE  36   7.909  -1.591  -7.149
  270    HA   ILE  36           HA       ILE  36   7.088  -3.773  -9.012
  271    HB   ILE  36           HB       ILE  36   7.068  -3.563  -5.972
  272   HG12  ILE  36          HG12      ILE  36   8.640  -5.476  -7.743
  273   HG13  ILE  36          HG11      ILE  36   9.289  -3.911  -7.229
  274   HG21  ILE  36          HG21      ILE  36   6.216  -5.857  -7.792
  275   HG22  ILE  36          HG22      ILE  36   6.361  -5.951  -6.025
  276   HG23  ILE  36          HG23      ILE  36   5.148  -4.892  -6.746
  277   HD11  ILE  36          HD11      ILE  36   8.389  -6.150  -5.372
  278   HD12  ILE  36          HD12      ILE  36  10.063  -5.654  -5.716
  279   HD13  ILE  36          HD13      ILE  36   8.979  -4.549  -4.854
  280    H    PHE  37           H        PHE  37   5.962  -1.049  -7.068
  281    HA   PHE  37           HA       PHE  37   3.145  -1.754  -7.694
  282    HB2  PHE  37           HB2      PHE  37   4.425   0.124  -5.687
  283    HB3  PHE  37           HB3      PHE  37   2.704   0.110  -6.031
  284    HD1  PHE  37           HD1      PHE  37   5.494  -2.058  -4.830
  285    HD2  PHE  37           HD2      PHE  37   1.255  -1.422  -5.021
  286    HE1  PHE  37           HE1      PHE  37   5.146  -3.931  -3.235
  287    HE2  PHE  37           HE2      PHE  37   0.901  -3.286  -3.412
  288    HZ   PHE  37           HZ       PHE  37   2.856  -4.538  -2.517
  289    H    SER  38           H        SER  38   5.705   0.078  -8.929
  290    HA   SER  38           HA       SER  38   4.268   2.468  -9.695
  291    HB2  SER  38           HB2      SER  38   6.239   2.810 -11.166
  292    HB3  SER  38           HB3      SER  38   6.692   2.429  -9.482
  293    HG   SER  38           HG       SER  38   7.877   1.228 -11.060
  294    H    LYS  39           H        LYS  39   4.255  -0.763 -10.862
  295    HA   LYS  39           HA       LYS  39   3.586  -0.107 -13.617
  296    HB2  LYS  39           HB2      LYS  39   3.380  -2.522 -13.866
  297    HB3  LYS  39           HB3      LYS  39   4.852  -2.116 -12.955
  298    HG2  LYS  39           HG2      LYS  39   3.407  -2.433 -10.831
  299    HG3  LYS  39           HG3      LYS  39   2.232  -3.226 -11.894
  300    HD2  LYS  39           HD2      LYS  39   5.158  -3.994 -11.545
  301    HD3  LYS  39           HD3      LYS  39   3.788  -4.847 -10.811
  302    HE2  LYS  39           HE2      LYS  39   4.270  -4.544 -13.806
  303    HE3  LYS  39           HE3      LYS  39   4.622  -5.991 -12.850
  304    HZ1  LYS  39           HZ1      LYS  39   1.956  -4.800 -13.234
  305    HZ2  LYS  39           HZ2      LYS  39   2.513  -6.175 -13.938
  306    HZ3  LYS  39           HZ3      LYS  39   2.278  -6.121 -12.310
  307    H    TYR  40           H        TYR  40   1.818  -0.107 -10.680
  308    HA   TYR  40           HA       TYR  40  -0.741  -0.538 -12.142
  309    HB2  TYR  40           HB2      TYR  40  -0.191  -0.486  -9.162
  310    HB3  TYR  40           HB3      TYR  40  -1.735  -0.865  -9.945
  311    HD1  TYR  40           HD1      TYR  40  -1.804  -2.888 -11.546
  312    HD2  TYR  40           HD2      TYR  40   1.378  -2.179  -8.752
  313    HE1  TYR  40           HE1      TYR  40  -1.094  -5.259 -11.768
  314    HE2  TYR  40           HE2      TYR  40   2.113  -4.537  -8.982
  315    HH   TYR  40           HH       TYR  40   1.677  -6.573  -9.921
  316    H    GLY  41           H        GLY  41   1.293   1.888 -10.760
  317    HA2  GLY  41           HA2      GLY  41  -0.362   3.947 -11.839
  318    HA3  GLY  41           HA3      GLY  41  -0.582   3.888 -10.086
  319    H    LYS  42           H        LYS  42   0.481   6.113 -11.456
  320    HA   LYS  42           HA       LYS  42   3.363   6.171 -11.266
  321    HB2  LYS  42           HB2      LYS  42   2.223   7.680 -12.761
  322    HB3  LYS  42           HB3      LYS  42   1.169   8.267 -11.461
  323    HG2  LYS  42           HG2      LYS  42   3.054   9.321 -10.331
  324    HG3  LYS  42           HG3      LYS  42   4.185   8.681 -11.546
  325    HD2  LYS  42           HD2      LYS  42   3.157  10.000 -13.293
  326    HD3  LYS  42           HD3      LYS  42   1.806  10.462 -12.234
  327    HE2  LYS  42           HE2      LYS  42   3.322  11.663 -10.748
  328    HE3  LYS  42           HE3      LYS  42   4.715  11.188 -11.735
  329    HZ1  LYS  42           HZ1      LYS  42   2.465  12.854 -12.665
  330    HZ2  LYS  42           HZ2      LYS  42   3.965  13.399 -12.279
  331    HZ3  LYS  42           HZ3      LYS  42   3.760  12.406 -13.571
  332    H    ILE  43           H        ILE  43   4.436   6.001  -9.397
  333    HA   ILE  43           HA       ILE  43   3.084   6.594  -6.876
  334    HB   ILE  43           HB       ILE  43   5.840   5.505  -7.540
  335   HG12  ILE  43          HG12      ILE  43   3.284   4.251  -6.449
  336   HG13  ILE  43          HG11      ILE  43   3.883   4.070  -8.103
  337   HG21  ILE  43          HG21      ILE  43   4.440   5.735  -4.845
  338   HG22  ILE  43          HG22      ILE  43   6.015   4.962  -5.142
  339   HG23  ILE  43          HG23      ILE  43   5.843   6.710  -5.354
  340   HD11  ILE  43          HD11      ILE  43   5.269   3.066  -5.582
  341   HD12  ILE  43          HD12      ILE  43   4.431   2.091  -6.797
  342   HD13  ILE  43          HD13      ILE  43   5.918   2.958  -7.248
  343    H    VAL  44           H        VAL  44   3.255   8.389  -5.717
  344    HA   VAL  44           HA       VAL  44   5.253  10.433  -6.560
  345    HB   VAL  44           HB       VAL  44   3.711  12.091  -5.618
  346   HG11  VAL  44          HG11      VAL  44   2.370  10.194  -7.590
  347   HG12  VAL  44          HG12      VAL  44   1.960  11.906  -7.342
  348   HG13  VAL  44          HG13      VAL  44   3.553  11.454  -7.999
  349   HG21  VAL  44          HG21      VAL  44   1.819   9.730  -5.195
  350   HG22  VAL  44          HG22      VAL  44   2.617  10.660  -3.902
  351   HG23  VAL  44          HG23      VAL  44   1.425  11.443  -4.960
  352    H    GLY  45           H        GLY  45   4.599   8.149  -4.176
  353    HA2  GLY  45           HA2      GLY  45   6.780   9.093  -2.551
  354    HA3  GLY  45           HA3      GLY  45   5.224   9.302  -1.731
  355    H    CYS  46           H        CYS  46   7.541   7.433  -1.204
  356    HA   CYS  46           HA       CYS  46   5.930   4.993  -0.866
  357    HB2  CYS  46           HB2      CYS  46   7.024   4.723  -3.085
  358    HB3  CYS  46           HB3      CYS  46   8.608   5.006  -2.329
  359    HG   CYS  46           HG       CYS  46   8.312   2.462  -2.807
  360    H    SER  47           H        SER  47   6.578   3.790   0.908
  361    HA   SER  47           HA       SER  47   9.163   4.322   2.173
  362    HB2  SER  47           HB2      SER  47   7.682   6.135   3.060
  363    HB3  SER  47           HB3      SER  47   6.585   4.883   3.686
  364    HG   SER  47           HG       SER  47   8.131   5.596   5.242
  365    H    VAL  48           H        VAL  48   9.780   2.689   3.582
  366    HA   VAL  48           HA       VAL  48   7.884   0.406   3.892
  367    HB   VAL  48           HB       VAL  48  10.845   0.311   3.204
  368   HG11  VAL  48          HG11      VAL  48   8.913  -1.932   3.934
  369   HG12  VAL  48          HG12      VAL  48  10.527  -2.161   3.223
  370   HG13  VAL  48          HG13      VAL  48  10.371  -1.448   4.837
  371   HG21  VAL  48          HG21      VAL  48   9.307   0.698   1.301
  372   HG22  VAL  48          HG22      VAL  48  10.008  -0.939   1.235
  373   HG23  VAL  48          HG23      VAL  48   8.339  -0.713   1.793
  374    H    HIS  49           H        HIS  49   8.008  -0.724   5.789
  375    HA   HIS  49           HA       HIS  49   9.616   0.440   8.010
  376    HB2  HIS  49           HB2      HIS  49   6.669  -0.297   8.074
  377    HB3  HIS  49           HB3      HIS  49   7.618   0.394   9.398
  378    HD2  HIS  49           HD2      HIS  49   6.196   1.367   5.900
  379    HE1  HIS  49           HE1      HIS  49   6.897   4.981   8.023
  380    HE2  HIS  49           HE2      HIS  49   5.936   3.968   5.891
  381    H    LYS  50           H        LYS  50   8.713  -1.304  10.020
  382    HA   LYS  50           HA       LYS  50   9.661  -3.891   8.944
  383    HB2  LYS  50           HB2      LYS  50   9.113  -2.960  11.790
  384    HB3  LYS  50           HB3      LYS  50   9.718  -4.560  11.353
  385    HG2  LYS  50           HG2      LYS  50  11.104  -1.886  10.872
  386    HG3  LYS  50           HG3      LYS  50  11.590  -3.152  12.016
  387    HD2  LYS  50           HD2      LYS  50  11.634  -3.329   8.973
  388    HD3  LYS  50           HD3      LYS  50  13.024  -3.235  10.051
  389    HE2  LYS  50           HE2      LYS  50  12.470  -5.399  11.050
  390    HE3  LYS  50           HE3      LYS  50  10.983  -5.495  10.090
  391    HZ1  LYS  50           HZ1      LYS  50  13.698  -5.396   8.955
  392    HZ2  LYS  50           HZ2      LYS  50  12.790  -6.758   9.124
  393    HZ3  LYS  50           HZ3      LYS  50  12.293  -5.569   8.112
  394    H    GLY  51           H        GLY  51   8.351  -5.353   8.226
  395    HA2  GLY  51           HA2      GLY  51   6.605  -6.868   8.255
  396    HA3  GLY  51           HA3      GLY  51   5.874  -6.014   9.620
  397    H    PHE  52           H        PHE  52   6.296  -3.443   7.694
  398    HA   PHE  52           HA       PHE  52   4.159  -4.022   5.756
  399    HB2  PHE  52           HB2      PHE  52   2.718  -2.231   6.529
  400    HB3  PHE  52           HB3      PHE  52   2.892  -3.445   7.784
  401    HD1  PHE  52           HD1      PHE  52   4.254  -2.992   9.816
  402    HD2  PHE  52           HD2      PHE  52   3.508   0.026   6.837
  403    HE1  PHE  52           HE1      PHE  52   4.963  -1.239  11.411
  404    HE2  PHE  52           HE2      PHE  52   4.232   1.775   8.431
  405    HZ   PHE  52           HZ       PHE  52   4.958   1.141  10.727
  406    H    ALA  53           H        ALA  53   3.659  -2.067   4.412
  407    HA   ALA  53           HA       ALA  53   5.736   0.022   4.320
  408    HB1  ALA  53           HB1      ALA  53   5.158  -1.879   2.008
  409    HB2  ALA  53           HB2      ALA  53   6.133  -0.396   1.903
  410    HB3  ALA  53           HB3      ALA  53   6.680  -1.739   2.923
  411    H    PHE  54           H        PHE  54   5.144   1.614   2.514
  412    HA   PHE  54           HA       PHE  54   2.219   1.789   2.058
  413    HB2  PHE  54           HB2      PHE  54   3.949   3.673   3.646
  414    HB3  PHE  54           HB3      PHE  54   2.671   4.339   2.634
  415    HD1  PHE  54           HD1      PHE  54   0.303   3.517   2.902
  416    HD2  PHE  54           HD2      PHE  54   3.392   2.744   5.794
  417    HE1  PHE  54           HE1      PHE  54  -1.425   3.064   4.627
  418    HE2  PHE  54           HE2      PHE  54   1.669   2.251   7.499
  419    HZ   PHE  54           HZ       PHE  54  -0.743   2.424   6.917
  420    H    VAL  55           H        VAL  55   1.623   2.922   0.270
  421    HA   VAL  55           HA       VAL  55   3.740   4.119  -1.440
  422    HB   VAL  55           HB       VAL  55   1.636   2.092  -2.311
  423   HG11  VAL  55          HG11      VAL  55   3.640   3.713  -3.941
  424   HG12  VAL  55          HG12      VAL  55   2.669   2.358  -4.567
  425   HG13  VAL  55          HG13      VAL  55   1.868   3.842  -4.027
  426   HG21  VAL  55          HG21      VAL  55   3.639   1.082  -1.286
  427   HG22  VAL  55          HG22      VAL  55   3.630   0.795  -3.032
  428   HG23  VAL  55          HG23      VAL  55   4.686   2.059  -2.343
  429    H    GLN  56           H        GLN  56   3.014   5.818  -2.732
  430    HA   GLN  56           HA       GLN  56   0.232   6.738  -2.194
  431    HB2  GLN  56           HB2      GLN  56   1.986   7.929  -0.837
  432    HB3  GLN  56           HB3      GLN  56   2.779   8.400  -2.345
  433    HG2  GLN  56           HG2      GLN  56   1.471  10.273  -1.658
  434    HG3  GLN  56           HG3      GLN  56   0.615   9.547  -3.027
  435   HE21  GLN  56          HE21      GLN  56  -1.548   9.583  -2.713
  436   HE22  GLN  56          HE22      GLN  56  -2.343   9.326  -1.166
  437    H    TYR  57           H        TYR  57  -0.893   7.299  -3.978
  438    HA   TYR  57           HA       TYR  57   0.556   7.420  -6.585
  439    HB2  TYR  57           HB2      TYR  57  -2.255   6.506  -5.891
  440    HB3  TYR  57           HB3      TYR  57  -1.630   6.703  -7.528
  441    HD1  TYR  57           HD1      TYR  57   0.856   5.531  -7.778
  442    HD2  TYR  57           HD2      TYR  57  -2.379   4.263  -5.224
  443    HE1  TYR  57           HE1      TYR  57   1.767   3.214  -7.761
  444    HE2  TYR  57           HE2      TYR  57  -1.451   1.973  -5.193
  445    HH   TYR  57           HH       TYR  57   0.215   0.598  -5.890
  446    H    VAL  58           H        VAL  58  -0.887   8.601  -8.257
  447    HA   VAL  58           HA       VAL  58  -1.188  11.323  -7.372
  448    HB   VAL  58           HB       VAL  58  -1.832   9.859  -9.960
  449   HG11  VAL  58          HG11      VAL  58  -1.965  12.836  -9.345
  450   HG12  VAL  58          HG12      VAL  58  -2.021  12.119 -10.979
  451   HG13  VAL  58          HG13      VAL  58  -3.322  11.788  -9.827
  452   HG21  VAL  58          HG21      VAL  58   0.559  10.056  -9.380
  453   HG22  VAL  58          HG22      VAL  58   0.144  11.070 -10.778
  454   HG23  VAL  58          HG23      VAL  58   0.358  11.819  -9.178
  455    H    ASN  59           H        ASN  59  -3.415   8.571  -7.809
  456    HA   ASN  59           HA       ASN  59  -5.418  10.087  -6.362
  457    HB2  ASN  59           HB2      ASN  59  -7.048  10.324  -7.926
  458    HB3  ASN  59           HB3      ASN  59  -5.609  10.644  -8.915
  459   HD21  ASN  59          HD21      ASN  59  -4.688   8.297  -9.796
  460   HD22  ASN  59          HD22      ASN  59  -5.938   7.379 -10.598
  461    H    GLU  60           H        GLU  60  -7.426   8.769  -5.943
  462    HA   GLU  60           HA       GLU  60  -6.785   6.294  -4.788
  463    HB2  GLU  60           HB2      GLU  60  -8.632   7.693  -4.083
  464    HB3  GLU  60           HB3      GLU  60  -9.422   7.514  -5.663
  465    HG2  GLU  60           HG2      GLU  60  -9.741   5.116  -5.277
  466    HG3  GLU  60           HG3      GLU  60  -8.849   5.210  -3.750
  467    H    ARG  61           H        ARG  61  -7.901   6.945  -8.145
  468    HA   ARG  61           HA       ARG  61  -8.811   4.308  -8.684
  469    HB2  ARG  61           HB2      ARG  61  -9.281   6.087 -10.234
  470    HB3  ARG  61           HB3      ARG  61  -7.556   6.458 -10.418
  471    HG2  ARG  61           HG2      ARG  61  -8.475   5.245 -12.375
  472    HG3  ARG  61           HG3      ARG  61  -7.137   4.403 -11.582
  473    HD2  ARG  61           HD2      ARG  61  -8.870   2.811 -12.152
  474    HD3  ARG  61           HD3      ARG  61  -8.761   2.966 -10.388
  475    HE   ARG  61           HE       ARG  61 -10.732   4.781 -11.453
  476   HH11  ARG  61          HH11      ARG  61 -10.208   1.373 -10.691
  477   HH12  ARG  61          HH12      ARG  61 -11.913   1.039 -10.461
  478   HH21  ARG  61          HH21      ARG  61 -12.943   4.321 -11.153
  479   HH22  ARG  61          HH22      ARG  61 -13.455   2.709 -10.718
  480    H    ASN  62           H        ASN  62  -5.529   5.740  -8.693
  481    HA   ASN  62           HA       ASN  62  -4.297   3.358  -9.786
  482    HB2  ASN  62           HB2      ASN  62  -3.332   5.852  -8.375
  483    HB3  ASN  62           HB3      ASN  62  -2.219   4.530  -8.821
  484   HD21  ASN  62          HD21      ASN  62  -2.803   3.685 -11.215
  485   HD22  ASN  62          HD22      ASN  62  -2.855   4.966 -12.410
  486    H    ALA  63           H        ALA  63  -5.317   4.360  -6.579
  487    HA   ALA  63           HA       ALA  63  -3.651   2.433  -5.170
  488    HB1  ALA  63           HB1      ALA  63  -5.069   2.995  -3.235
  489    HB2  ALA  63           HB2      ALA  63  -4.508   4.469  -4.068
  490    HB3  ALA  63           HB3      ALA  63  -6.177   3.886  -4.283
  491    H    ARG  64           H        ARG  64  -6.990   2.514  -6.432
  492    HA   ARG  64           HA       ARG  64  -7.758  -0.045  -5.352
  493    HB2  ARG  64           HB2      ARG  64  -8.753   1.458  -7.816
  494    HB3  ARG  64           HB3      ARG  64  -9.573   0.079  -7.071
  495    HG2  ARG  64           HG2      ARG  64  -9.035   2.728  -5.670
  496    HG3  ARG  64           HG3      ARG  64 -10.561   2.272  -6.445
  497    HD2  ARG  64           HD2      ARG  64 -10.747   0.342  -4.900
  498    HD3  ARG  64           HD3      ARG  64  -9.248   0.854  -4.092
  499    HE   ARG  64           HE       ARG  64 -10.673   3.109  -3.883
  500   HH11  ARG  64          HH11      ARG  64 -11.690  -0.232  -3.292
  501   HH12  ARG  64          HH12      ARG  64 -12.888   0.232  -2.106
  502   HH21  ARG  64          HH21      ARG  64 -12.219   3.670  -2.373
  503   HH22  ARG  64          HH22      ARG  64 -13.185   2.449  -1.568
  504    H    ALA  65           H        ALA  65  -5.881   0.933  -8.181
  505    HA   ALA  65           HA       ALA  65  -6.172  -1.633  -9.518
  506    HB1  ALA  65           HB1      ALA  65  -4.199   0.650  -9.926
  507    HB2  ALA  65           HB2      ALA  65  -4.473  -0.709 -11.041
  508    HB3  ALA  65           HB3      ALA  65  -5.767   0.469 -10.743
  509    H    ALA  66           H        ALA  66  -3.830  -0.165  -7.237
  510    HA   ALA  66           HA       ALA  66  -1.966  -2.388  -7.562
  511    HB1  ALA  66           HB1      ALA  66  -0.708  -1.193  -5.836
  512    HB2  ALA  66           HB2      ALA  66  -1.222  -0.100  -7.149
  513    HB3  ALA  66           HB3      ALA  66  -2.087  -0.085  -5.590
  514    H    VAL  67           H        VAL  67  -4.500  -1.403  -5.219
  515    HA   VAL  67           HA       VAL  67  -3.931  -3.431  -3.274
  516    HB   VAL  67           HB       VAL  67  -6.448  -1.918  -4.051
  517   HG11  VAL  67          HG11      VAL  67  -6.005  -3.819  -1.707
  518   HG12  VAL  67          HG12      VAL  67  -7.379  -2.698  -1.867
  519   HG13  VAL  67          HG13      VAL  67  -7.180  -4.022  -3.027
  520   HG21  VAL  67          HG21      VAL  67  -4.651  -1.761  -1.594
  521   HG22  VAL  67          HG22      VAL  67  -4.525  -0.664  -2.983
  522   HG23  VAL  67          HG23      VAL  67  -6.003  -0.677  -1.997
  523    H    ALA  68           H        ALA  68  -5.780  -3.451  -6.340
  524    HA   ALA  68           HA       ALA  68  -6.559  -6.254  -5.832
  525    HB1  ALA  68           HB1      ALA  68  -7.170  -4.395  -8.161
  526    HB2  ALA  68           HB2      ALA  68  -7.891  -5.995  -7.872
  527    HB3  ALA  68           HB3      ALA  68  -8.213  -4.660  -6.743
  528    H    GLY  69           H        GLY  69  -3.884  -4.617  -7.184
  529    HA2  GLY  69           HA2      GLY  69  -3.382  -6.736  -9.196
  530    HA3  GLY  69           HA3      GLY  69  -2.563  -5.174  -9.065
  531    H    GLU  70           H        GLU  70  -2.437  -5.938  -5.938
  532    HA   GLU  70           HA       GLU  70  -0.012  -7.669  -6.237
  533    HB2  GLU  70           HB2      GLU  70  -0.263  -4.975  -4.884
  534    HB3  GLU  70           HB3      GLU  70   1.025  -6.122  -4.485
  535    HG2  GLU  70           HG2      GLU  70   0.476  -5.157  -7.317
  536    HG3  GLU  70           HG3      GLU  70   1.642  -4.390  -6.228
  537    H    ASP  71           H        ASP  71  -2.897  -6.896  -4.377
  538    HA   ASP  71           HA       ASP  71  -2.066  -8.013  -1.892
  539    HB2  ASP  71           HB2      ASP  71  -4.134  -6.765  -2.142
  540    HB3  ASP  71           HB3      ASP  71  -4.771  -7.975  -3.265
  541    H    GLY  72           H        GLY  72  -1.304 -10.003  -1.469
  542    HA2  GLY  72           HA2      GLY  72  -1.299 -12.295  -1.353
  543    HA3  GLY  72           HA3      GLY  72  -2.697 -12.358  -2.437
  544    H    ARG  73           H        ARG  73   0.117 -10.545  -3.482
  545    HA   ARG  73           HA       ARG  73   0.357 -12.289  -5.802
  546    HB2  ARG  73           HB2      ARG  73   1.841 -10.507  -6.638
  547    HB3  ARG  73           HB3      ARG  73   0.362  -9.825  -5.945
  548    HG2  ARG  73           HG2      ARG  73   1.915  -8.449  -4.938
  549    HG3  ARG  73           HG3      ARG  73   1.841  -9.720  -3.712
  550    HD2  ARG  73           HD2      ARG  73   4.130  -9.193  -4.127
  551    HD3  ARG  73           HD3      ARG  73   3.842 -10.792  -4.853
  552    HE   ARG  73           HE       ARG  73   3.554  -8.362  -6.503
  553   HH11  ARG  73          HH11      ARG  73   5.395 -11.319  -5.832
  554   HH12  ARG  73          HH12      ARG  73   6.311 -11.215  -7.319
  555   HH21  ARG  73          HH21      ARG  73   4.758  -8.268  -8.416
  556   HH22  ARG  73          HH22      ARG  73   5.946  -9.501  -8.783
  557    H    MET  74           H        MET  74   1.954 -11.904  -2.884
  558    HA   MET  74           HA       MET  74   3.515 -13.149  -1.773
  559    HB2  MET  74           HB2      MET  74   2.620 -15.111  -2.912
  560    HB3  MET  74           HB3      MET  74   3.775 -14.853  -4.252
  561    HG2  MET  74           HG2      MET  74   5.659 -15.053  -2.707
  562    HG3  MET  74           HG3      MET  74   4.557 -15.233  -1.335
  563    HE1  MET  74           HE1      MET  74   2.970 -18.696  -1.815
  564    HE2  MET  74           HE2      MET  74   3.183 -17.273  -0.763
  565    HE3  MET  74           HE3      MET  74   2.318 -17.117  -2.303
  566    H    ILE  75           H        ILE  75   5.340 -12.353  -1.217
  567    HA   ILE  75           HA       ILE  75   7.345 -11.679  -3.282
  568    HB   ILE  75           HB       ILE  75   5.680  -9.846  -1.757
  569   HG12  ILE  75          HG12      ILE  75   7.823  -9.525  -3.886
  570   HG13  ILE  75          HG11      ILE  75   6.097  -9.848  -4.147
  571   HG21  ILE  75          HG21      ILE  75   8.673  -9.473  -1.408
  572   HG22  ILE  75          HG22      ILE  75   7.398  -8.294  -0.976
  573   HG23  ILE  75          HG23      ILE  75   7.496  -9.831  -0.118
  574   HD11  ILE  75          HD11      ILE  75   7.245  -7.324  -2.869
  575   HD12  ILE  75          HD12      ILE  75   6.629  -7.482  -4.524
  576   HD13  ILE  75          HD13      ILE  75   5.517  -7.657  -3.156
  577    H    ALA  76           H        ALA  76   9.458 -11.925  -2.634
  578    HA   ALA  76           HA       ALA  76  11.117 -12.978  -1.540
  579    HB1  ALA  76           HB1      ALA  76  10.843 -10.935  -0.130
  580    HB2  ALA  76           HB2      ALA  76   9.813 -11.880   0.965
  581    HB3  ALA  76           HB3      ALA  76  11.517 -12.336   0.744
  582    H    GLY  77           H        GLY  77   8.325 -14.361  -1.770
  583    HA2  GLY  77           HA2      GLY  77   7.918 -16.645  -1.553
  584    HA3  GLY  77           HA3      GLY  77   9.141 -16.754  -0.263
  585    H    GLN  78           H        GLN  78   7.194 -14.050   0.353
  586    HA   GLN  78           HA       GLN  78   5.326 -15.619   2.070
  587    HB2  GLN  78           HB2      GLN  78   7.110 -14.786   3.428
  588    HB3  GLN  78           HB3      GLN  78   7.036 -13.192   2.670
  589    HG2  GLN  78           HG2      GLN  78   4.435 -13.833   3.772
  590    HG3  GLN  78           HG3      GLN  78   5.686 -14.082   5.006
  591   HE21  GLN  78          HE21      GLN  78   5.173 -11.744   2.293
  592   HE22  GLN  78          HE22      GLN  78   5.397 -10.316   3.285
  593    H    VAL  79           H        VAL  79   3.232 -15.072   1.918
  594    HA   VAL  79           HA       VAL  79   2.310 -13.450  -0.258
  595    HB   VAL  79           HB       VAL  79   0.793 -14.525   2.147
  596   HG11  VAL  79          HG11      VAL  79  -1.119 -14.492   0.562
  597   HG12  VAL  79          HG12      VAL  79  -0.465 -12.862   0.813
  598   HG13  VAL  79          HG13      VAL  79  -0.069 -13.765  -0.675
  599   HG21  VAL  79          HG21      VAL  79   2.009 -16.344   0.996
  600   HG22  VAL  79          HG22      VAL  79   0.270 -16.449   0.666
  601   HG23  VAL  79          HG23      VAL  79   1.369 -15.789  -0.566
  602    H    LEU  80           H        LEU  80   1.542 -11.393  -0.360
  603    HA   LEU  80           HA       LEU  80   1.918  -9.713   2.052
  604    HB2  LEU  80           HB2      LEU  80   1.263  -8.874  -0.798
  605    HB3  LEU  80           HB3      LEU  80   1.714  -7.823   0.546
  606    HG   LEU  80           HG       LEU  80   3.468  -9.852  -0.877
  607   HD11  LEU  80          HD11      LEU  80   3.550  -6.832  -0.469
  608   HD12  LEU  80          HD12      LEU  80   4.843  -7.772  -1.231
  609   HD13  LEU  80          HD13      LEU  80   3.234  -7.688  -1.998
  610   HD21  LEU  80          HD21      LEU  80   5.265  -9.125   0.668
  611   HD22  LEU  80          HD22      LEU  80   4.059  -8.202   1.609
  612   HD23  LEU  80          HD23      LEU  80   3.968  -9.981   1.521
  613    H    ASP  81           H        ASP  81   0.325  -8.212   2.718
  614    HA   ASP  81           HA       ASP  81  -2.475  -8.909   1.951
  615    HB2  ASP  81           HB2      ASP  81  -1.270  -8.455   4.699
  616    HB3  ASP  81           HB3      ASP  81  -2.999  -8.282   4.377
  617    H    ILE  82           H        ILE  82  -2.823  -7.237   0.578
  618    HA   ILE  82           HA       ILE  82  -1.910  -4.521   1.394
  619    HB   ILE  82           HB       ILE  82  -2.281  -5.819  -1.307
  620   HG12  ILE  82          HG12      ILE  82   0.168  -4.538  -0.051
  621   HG13  ILE  82          HG11      ILE  82  -0.227  -6.235   0.253
  622   HG21  ILE  82          HG21      ILE  82  -1.478  -2.942  -0.662
  623   HG22  ILE  82          HG22      ILE  82  -1.518  -3.681  -2.275
  624   HG23  ILE  82          HG23      ILE  82  -3.026  -3.432  -1.382
  625   HD11  ILE  82          HD11      ILE  82   0.190  -5.047  -2.504
  626   HD12  ILE  82          HD12      ILE  82   1.383  -6.002  -1.580
  627   HD13  ILE  82          HD13      ILE  82  -0.143  -6.759  -2.095
  628    H    ASN  83           H        ASN  83  -3.341  -2.822   1.388
  629    HA   ASN  83           HA       ASN  83  -6.115  -3.200   0.486
  630    HB2  ASN  83           HB2      ASN  83  -5.893  -4.279   2.765
  631    HB3  ASN  83           HB3      ASN  83  -5.493  -2.683   3.418
  632   HD21  ASN  83          HD21      ASN  83  -7.161  -1.050   3.495
  633   HD22  ASN  83          HD22      ASN  83  -8.844  -1.486   3.310
  634    H    LEU  84           H        LEU  84  -7.325  -1.127   0.538
  635    HA   LEU  84           HA       LEU  84  -5.790   1.180   0.042
  636    HB2  LEU  84           HB2      LEU  84  -8.221   0.610  -0.598
  637    HB3  LEU  84           HB3      LEU  84  -8.657   1.035   1.062
  638    HG   LEU  84           HG       LEU  84  -7.575   3.298   0.657
  639   HD11  LEU  84          HD11      LEU  84  -7.326   3.944  -1.752
  640   HD12  LEU  84          HD12      LEU  84  -6.164   2.688  -1.275
  641   HD13  LEU  84          HD13      LEU  84  -7.610   2.255  -2.216
  642   HD21  LEU  84          HD21      LEU  84  -9.491   4.153  -0.666
  643   HD22  LEU  84          HD22      LEU  84  -9.888   2.488  -1.155
  644   HD23  LEU  84          HD23      LEU  84 -10.019   2.969   0.552
  645    H    ALA  85           H        ALA  85  -5.175   2.922   1.379
  646    HA   ALA  85           HA       ALA  85  -4.679   2.212   4.108
  647    HB1  ALA  85           HB1      ALA  85  -3.128   3.541   2.716
  648    HB2  ALA  85           HB2      ALA  85  -4.322   4.867   2.673
  649    HB3  ALA  85           HB3      ALA  85  -3.575   4.402   4.211
  650    H    ALA  86           H        ALA  86  -7.608   3.199   2.899
  651    HA   ALA  86           HA       ALA  86  -8.258   4.632   5.432
  652    HB1  ALA  86           HB1      ALA  86  -9.639   6.201   4.160
  653    HB2  ALA  86           HB2      ALA  86  -7.957   6.248   3.589
  654    HB3  ALA  86           HB3      ALA  86  -9.190   5.390   2.637
  655    H    GLU  87           H        GLU  87  -8.849   1.879   3.723
  656    HA   GLU  87           HA       GLU  87 -11.597   1.676   4.837
  657    HB2  GLU  87           HB2      GLU  87 -10.782   1.015   1.985
  658    HB3  GLU  87           HB3      GLU  87 -12.303   0.508   2.723
  659    HG2  GLU  87           HG2      GLU  87 -11.406   3.393   2.372
  660    HG3  GLU  87           HG3      GLU  87 -12.544   2.535   1.328
  661    HA   PRO  88           HA       PRO  88  -8.818  -2.017   5.642
  662    HB2  PRO  88           HB2      PRO  88  -8.948  -2.019   8.371
  663    HB3  PRO  88           HB3      PRO  88  -7.757  -1.049   7.451
  664    HG2  PRO  88           HG2      PRO  88 -10.422  -0.117   8.560
  665    HG3  PRO  88           HG3      PRO  88  -8.813   0.659   8.744
  666    HD2  PRO  88           HD2      PRO  88 -10.573   1.471   6.835
  667    HD3  PRO  88           HD3      PRO  88  -8.815   1.388   6.488
  668    H    LYS  89           H        LYS  89  -9.577  -4.066   6.474
  669    HA   LYS  89           HA       LYS  89 -12.452  -4.253   7.082
  670    HB2  LYS  89           HB2      LYS  89 -12.646  -5.953   5.142
  671    HB3  LYS  89           HB3      LYS  89 -12.704  -4.229   4.785
  672    HG2  LYS  89           HG2      LYS  89 -10.420  -4.196   3.993
  673    HG3  LYS  89           HG3      LYS  89 -10.143  -5.858   4.526
  674    HD2  LYS  89           HD2      LYS  89 -10.518  -5.776   2.117
  675    HD3  LYS  89           HD3      LYS  89 -11.818  -6.673   2.913
  676    HE2  LYS  89           HE2      LYS  89 -13.269  -4.677   2.833
  677    HE3  LYS  89           HE3      LYS  89 -11.968  -3.751   2.063
  678    HZ1  LYS  89           HZ1      LYS  89 -13.272  -6.138   0.938
  679    HZ2  LYS  89           HZ2      LYS  89 -13.536  -4.595   0.451
  680    HZ3  LYS  89           HZ3      LYS  89 -12.067  -5.286   0.213
  681    H    VAL  90           H        VAL  90 -10.691  -6.923   5.695
  682    HA   VAL  90           HA       VAL  90 -10.453  -8.180   8.402
  683    HB   VAL  90           HB       VAL  90 -10.791 -10.315   7.050
  684   HG11  VAL  90          HG11      VAL  90 -12.514  -9.376   8.580
  685   HG12  VAL  90          HG12      VAL  90 -13.120  -8.343   7.256
  686   HG13  VAL  90          HG13      VAL  90 -13.270 -10.112   7.148
  687   HG21  VAL  90          HG21      VAL  90 -10.505  -9.344   4.801
  688   HG22  VAL  90          HG22      VAL  90 -12.060 -10.174   4.980
  689   HG23  VAL  90          HG23      VAL  90 -12.004  -8.401   5.018
  690    H    ASN  91           H        ASN  91  -8.894  -7.203   5.536
  691    HA   ASN  91           HA       ASN  91  -6.857  -9.272   5.528
  692    HB2  ASN  91           HB2      ASN  91  -6.943  -6.644   4.002
  693    HB3  ASN  91           HB3      ASN  91  -5.936  -8.060   3.640
  694   HD21  ASN  91          HD21      ASN  91  -7.465 -10.216   3.603
  695   HD22  ASN  91          HD22      ASN  91  -8.827 -10.040   2.517
  696    H    ARG  92           H        ARG  92  -7.268  -7.224   7.895
  697    HA   ARG  92           HA       ARG  92  -4.347  -6.811   8.189
  698    HB2  ARG  92           HB2      ARG  92  -5.398  -4.633   7.841
  699    HB3  ARG  92           HB3      ARG  92  -6.519  -4.939   9.189
  700    HG2  ARG  92           HG2      ARG  92  -4.652  -5.114  10.758
  701    HG3  ARG  92           HG3      ARG  92  -3.480  -5.004   9.428
  702    HD2  ARG  92           HD2      ARG  92  -4.149  -2.724   8.952
  703    HD3  ARG  92           HD3      ARG  92  -5.452  -2.806  10.163
  704    HE   ARG  92           HE       ARG  92  -2.604  -3.192  10.961
  705   HH11  ARG  92          HH11      ARG  92  -5.586  -1.304  11.172
  706   HH12  ARG  92          HH12      ARG  92  -5.032  -0.364  12.539
  707   HH21  ARG  92          HH21      ARG  92  -1.916  -1.974  12.728
  708   HH22  ARG  92          HH22      ARG  92  -2.951  -0.749  13.428
  709    H    GLY  93           H        GLY  93  -3.509  -7.781   9.772
  710    HA2  GLY  93           HA2      GLY  93  -4.761  -8.261  12.360
  711    HA3  GLY  93           HA3      GLY  93  -4.488  -9.733  11.392
  712    H    LYS  94           H        LYS  94  -2.737 -10.590  12.584
  713    HA   LYS  94           HA       LYS  94  -0.209  -9.037  12.238
  714    HB2  LYS  94           HB2      LYS  94  -1.104 -10.497  14.741
  715    HB3  LYS  94           HB3      LYS  94   0.540  -9.898  14.437
  716    HG2  LYS  94           HG2      LYS  94  -0.407  -7.592  14.104
  717    HG3  LYS  94           HG3      LYS  94  -1.995  -8.214  14.606
  718    HD2  LYS  94           HD2      LYS  94  -1.013  -8.945  16.763
  719    HD3  LYS  94           HD3      LYS  94   0.566  -8.301  16.240
  720    HE2  LYS  94           HE2      LYS  94  -0.427  -6.041  16.044
  721    HE3  LYS  94           HE3      LYS  94  -1.997  -6.680  16.555
  722    HZ1  LYS  94           HZ1      LYS  94   0.463  -6.713  18.175
  723    HZ2  LYS  94           HZ2      LYS  94  -0.792  -5.672  18.374
  724    HZ3  LYS  94           HZ3      LYS  94  -1.006  -7.274  18.657
  725    H    ALA  95           H        ALA  95  -1.894 -12.144  12.407
  726    HA   ALA  95           HA       ALA  95   0.120 -13.390  10.733
  727    HB1  ALA  95           HB1      ALA  95   1.206 -13.578  12.949
  728    HB2  ALA  95           HB2      ALA  95  -0.267 -14.319  13.612
  729    HB3  ALA  95           HB3      ALA  95   0.690 -15.169  12.367
  730    H    GLY  96           H        GLY  96  -0.498 -15.896  10.640
  731    HA2  GLY  96           HA2      GLY  96  -3.272 -16.105   9.899
  732    HA3  GLY  96           HA3      GLY  96  -2.081 -17.426   9.982
  733    H    VAL  97           H        VAL  97  -1.680 -16.298  12.929
  734    HA   VAL  97           HA       VAL  97  -3.960 -17.794  14.103
  735    HB   VAL  97           HB       VAL  97  -1.743 -18.696  14.601
  736   HG11  VAL  97          HG11      VAL  97  -1.198 -16.028  15.970
  737   HG12  VAL  97          HG12      VAL  97  -0.166 -17.472  16.027
  738   HG13  VAL  97          HG13      VAL  97  -0.410 -16.623  14.490
  739   HG21  VAL  97          HG21      VAL  97  -3.583 -18.885  16.252
  740   HG22  VAL  97          HG22      VAL  97  -1.984 -18.833  17.020
  741   HG23  VAL  97          HG23      VAL  97  -3.021 -17.390  17.037
  742    H    LYS  98           H        LYS  98  -5.250 -16.868  15.644
  743    HA   LYS  98           HA       LYS  98  -5.014 -13.906  15.878
  744    HB2  LYS  98           HB2      LYS  98  -7.547 -15.582  15.706
  745    HB3  LYS  98           HB3      LYS  98  -7.456 -13.829  15.936
  746    HG2  LYS  98           HG2      LYS  98  -7.759 -13.894  13.663
  747    HG3  LYS  98           HG3      LYS  98  -5.991 -13.874  13.746
  748    HD2  LYS  98           HD2      LYS  98  -6.033 -16.406  13.509
  749    HD3  LYS  98           HD3      LYS  98  -7.796 -16.306  13.350
  750    HE2  LYS  98           HE2      LYS  98  -7.492 -14.811  11.368
  751    HE3  LYS  98           HE3      LYS  98  -5.734 -14.959  11.546
  752    HZ1  LYS  98           HZ1      LYS  98  -6.596 -16.487   9.914
  753    HZ2  LYS  98           HZ2      LYS  98  -5.956 -17.318  11.180
  754    HZ3  LYS  98           HZ3      LYS  98  -7.586 -17.191  11.024
  755    H    ARG  99           H        ARG  99  -3.840 -15.873  17.677
  756    HA   ARG  99           HA       ARG  99  -5.125 -14.932  20.177
  757    HB2  ARG  99           HB2      ARG  99  -5.727 -17.369  19.479
  758    HB3  ARG  99           HB3      ARG  99  -4.046 -17.752  19.874
  759    HG2  ARG  99           HG2      ARG  99  -5.519 -18.262  21.745
  760    HG3  ARG  99           HG3      ARG  99  -4.429 -16.947  22.201
  761    HD2  ARG  99           HD2      ARG  99  -6.223 -15.298  21.793
  762    HD3  ARG  99           HD3      ARG  99  -7.297 -16.591  21.224
  763    HE   ARG  99           HE       ARG  99  -6.433 -17.311  23.808
  764   HH11  ARG  99          HH11      ARG  99  -8.341 -14.735  22.308
  765   HH12  ARG  99          HH12      ARG  99  -9.327 -14.486  23.731
  766   HH21  ARG  99          HH21      ARG  99  -7.695 -16.961  25.623
  767   HH22  ARG  99          HH22      ARG  99  -8.961 -15.750  25.620
  768    H    SER 100           H        SER 100  -3.534 -15.338  22.079
  769    HA   SER 100           HA       SER 100  -1.111 -13.977  21.559
  770    HB2  SER 100           HB2      SER 100  -2.000 -15.747  23.863
  771    HB3  SER 100           HB3      SER 100  -0.575 -14.696  23.906
  772    HG   SER 100           HG       SER 100  -2.451 -13.685  24.779
  773    H    ALA 101           H        ALA 101  -1.894 -17.301  21.025
  774    HA   ALA 101           HA       ALA 101  -0.719 -19.186  20.691
  775    HB1  ALA 101           HB1      ALA 101   1.404 -17.261  19.681
  776    HB2  ALA 101           HB2      ALA 101   1.273 -18.990  19.283
  777    HB3  ALA 101           HB3      ALA 101   0.009 -17.859  18.756
  778    H    ALA 102           H        ALA 102  -0.293 -17.643  23.305
  779    HA   ALA 102           HA       ALA 102   1.800 -19.419  24.339
  780    HB1  ALA 102           HB1      ALA 102   1.926 -16.386  24.631
  781    HB2  ALA 102           HB2      ALA 102   3.006 -17.559  25.426
  782    HB3  ALA 102           HB3      ALA 102   3.026 -17.392  23.657
  783    H    GLU 103           H        GLU 103  -1.256 -18.683  24.526
  784    HA   GLU 103           HA       GLU 103  -1.664 -17.625  27.152
  785    HB2  GLU 103           HB2      GLU 103  -3.994 -18.363  26.789
  786    HB3  GLU 103           HB3      GLU 103  -3.352 -17.407  25.440
  787    HG2  GLU 103           HG2      GLU 103  -2.991 -19.409  24.106
  788    HG3  GLU 103           HG3      GLU 103  -3.409 -20.450  25.481
  789    H    MET 104           H        MET 104  -0.428 -20.615  26.270
  790    HA   MET 104           HA       MET 104  -1.550 -21.976  28.670
  791    HB2  MET 104           HB2      MET 104  -0.140 -23.070  26.212
  792    HB3  MET 104           HB3      MET 104  -0.674 -24.049  27.597
  793    HG2  MET 104           HG2      MET 104  -2.994 -23.342  27.243
  794    HG3  MET 104           HG3      MET 104  -2.502 -22.327  25.885
  795    HE1  MET 104           HE1      MET 104  -0.428 -24.026  24.266
  796    HE2  MET 104           HE2      MET 104  -1.525 -24.816  23.111
  797    HE3  MET 104           HE3      MET 104  -1.793 -23.121  23.574
  798    H    TYR 105           H        TYR 105   0.931 -19.971  28.099
  799    HA   TYR 105           HA       TYR 105   2.759 -21.471  29.906
  800    HB2  TYR 105           HB2      TYR 105   3.615 -19.836  27.502
  801    HB3  TYR 105           HB3      TYR 105   4.666 -20.725  28.609
  802    HD1  TYR 105           HD1      TYR 105   4.678 -23.220  28.597
  803    HD2  TYR 105           HD2      TYR 105   2.440 -20.937  25.729
  804    HE1  TYR 105           HE1      TYR 105   4.478 -25.237  27.155
  805    HE2  TYR 105           HE2      TYR 105   2.226 -22.945  24.281
  806    HH   TYR 105           HH       TYR 105   2.724 -25.164  24.030
  807    H    GLY 106           H        GLY 106   0.877 -18.738  29.466
  808    HA2  GLY 106           HA2      GLY 106   0.693 -16.799  30.681
  809    HA3  GLY 106           HA3      GLY 106   1.937 -17.430  31.777
  810    H5'    U   1           H5'        U   1   3.211  -6.374  11.454
  811   H5''    U   1          H5''        U   1   1.870  -7.362  10.852
  812    H4'    U   1           H4'        U   1   2.930  -4.791   9.590
  813    H3'    U   1           H3'        U   1   1.418  -4.956  11.828
  814    H2'    U   1           H2'        U   1  -0.199  -6.464  10.974
  815   HO2'    U   1          HO2'        U   1  -1.185  -4.330  11.565
  816    H1'    U   1           H1'        U   1  -0.421  -4.954   8.394
  817    H3     U   1           H3         U   1  -3.118  -8.105   6.668
  818    H5     U   1           H5         U   1  -0.654 -10.329   9.248
  819    H6     U   1           H6         U   1   0.509  -8.283   9.802
  820    H5'    U   2           H5'        U   2   1.327  -0.600   9.408
  821   H5''    U   2          H5''        U   2   1.696   0.089  10.998
  822    H4'    U   2           H4'        U   2   0.883   1.880   9.663
  823    H3'    U   2           H3'        U   2  -0.577   1.044  12.022
  824    H2'    U   2           H2'        U   2  -2.508   0.560  10.791
  825   HO2'    U   2          HO2'        U   2  -3.003   2.440  12.098
  826    H1'    U   2           H1'        U   2  -1.627   2.781   8.928
  827    H3     U   2           H3         U   2  -5.134   2.656   6.153
  828    H5     U   2           H5         U   2  -5.078  -1.246   7.701
  829    H6     U   2           H6         U   2  -3.124  -0.637   9.015
  830    H5'    U   3           H5'        U   3   2.671   2.262  10.487
  831   H5''    U   3          H5''        U   3   3.574   2.851  11.891
  832    H4'    U   3           H4'        U   3   4.933   3.348  10.024
  833    H3'    U   3           H3'        U   3   4.089   5.383  11.659
  834    H2'    U   3           H2'        U   3   2.322   6.166  10.289
  835   HO2'    U   3          HO2'        U   3   4.331   7.717  10.296
  836    H1'    U   3           H1'        U   3   3.956   5.742   7.794
  837    H3     U   3           H3         U   3   0.506   6.664   5.111
  838    H5     U   3           H5         U   3  -1.374   4.943   8.470
  839    H6     U   3           H6         U   3   0.810   4.681   9.476
  840    H5'    U   4           H5'        U   4   8.119   4.971   9.785
  841   H5''    U   4          H5''        U   4   9.185   5.615  11.035
  842    H4'    U   4           H4'        U   4  10.335   5.345   8.865
  843    H3'    U   4           H3'        U   4  10.542   7.516  10.565
  844    H2'    U   4           H2'        U   4   9.002   8.890   9.426
  845   HO2'    U   4          HO2'        U   4  11.510   9.310   8.149
  846    H1'    U   4           H1'        U   4  10.053   7.985   6.742
  847    H3     U   4           H3         U   4   7.224  11.321   5.446
  848    H5     U   4           H5         U   4   4.745   8.516   7.365
  849    H6     U   4           H6         U   4   6.734   7.325   8.054
  850    H5'    C   5           H5'        C   5  13.312   8.762  11.053
  851   H5''    C   5          H5''        C   5  14.712   7.760  11.498
  852    H4'    C   5           H4'        C   5  12.279   8.255  13.278
  853    H3'    C   5           H3'        C   5  14.227  10.140  12.723
  854    H2'    C   5           H2'        C   5  16.039   8.725  13.422
  855   HO2'    C   5          HO2'        C   5  16.135  10.677  14.669
  856    H1'    C   5           H1'        C   5  14.258   7.978  15.758
  857    H41    C   5           H41        C   5  19.373   3.726  15.394
  858    H42    C   5           H42        C   5  19.187   4.101  17.097
  859    H5     C   5           H5         C   5  17.534   5.684  17.934
  860    H6     C   5           H6         C   5  15.741   7.190  17.289
  Start of MODEL   14
    1    H1   ALA   2           H1       ALA   2  11.747   8.743  -5.778
    2    H2   ALA   2           H2       ALA   2  11.165   7.341  -5.119
    3    H3   ALA   2           H3       ALA   2  10.674   7.813  -6.628
    4    HA   ALA   2           HA       ALA   2   9.595   9.738  -5.739
    5    HB1  ALA   2           HB1      ALA   2   7.728   8.584  -4.651
    6    HB2  ALA   2           HB2      ALA   2   8.312   7.633  -6.032
    7    HB3  ALA   2           HB3      ALA   2   8.738   7.152  -4.372
    8    H    SER   3           H        SER   3   8.541  10.607  -3.677
    9    HA   SER   3           HA       SER   3  10.606  11.245  -1.790
   10    HB2  SER   3           HB2      SER   3   7.600  11.704  -1.687
   11    HB3  SER   3           HB3      SER   3   8.813  12.474  -0.638
   12    HG   SER   3           HG       SER   3   8.268  13.772  -2.452
   13    H    ASN   4           H        ASN   4  10.467  10.917   0.571
   14    HA   ASN   4           HA       ASN   4   9.750   8.132   1.145
   15    HB2  ASN   4           HB2      ASN   4  11.074   8.430   3.173
   16    HB3  ASN   4           HB3      ASN   4  11.980   8.933   1.747
   17   HD21  ASN   4          HD21      ASN   4  13.034   9.809   3.996
   18   HD22  ASN   4          HD22      ASN   4  12.663  11.496   4.293
   19    H    VAL   5           H        VAL   5   7.916  10.789   1.081
   20    HA   VAL   5           HA       VAL   5   6.682  10.473   3.747
   21    HB   VAL   5           HB       VAL   5   6.268  12.473   1.500
   22   HG11  VAL   5          HG11      VAL   5   4.858  13.709   3.109
   23   HG12  VAL   5          HG12      VAL   5   4.160  12.112   2.778
   24   HG13  VAL   5          HG13      VAL   5   5.045  12.405   4.295
   25   HG21  VAL   5          HG21      VAL   5   7.519  12.679   4.278
   26   HG22  VAL   5          HG22      VAL   5   8.390  12.731   2.728
   27   HG23  VAL   5          HG23      VAL   5   7.268  14.040   3.156
   28    H    THR   6           H        THR   6   4.783   9.521   4.115
   29    HA   THR   6           HA       THR   6   2.948   8.920   1.879
   30    HB   THR   6           HB       THR   6   2.760   6.548   2.580
   31    HG1  THR   6           HG1      THR   6   3.621   6.675   4.645
   32   HG21  THR   6          HG21      THR   6   5.605   7.268   1.795
   33   HG22  THR   6          HG22      THR   6   4.783   5.716   1.544
   34   HG23  THR   6          HG23      THR   6   4.217   7.155   0.670
   35    H    ASN   7           H        ASN   7   3.292  10.264   4.880
   36    HA   ASN   7           HA       ASN   7   0.779   9.053   5.916
   37    HB2  ASN   7           HB2      ASN   7   2.787   9.004   7.350
   38    HB3  ASN   7           HB3      ASN   7   2.835  10.774   7.331
   39   HD21  ASN   7          HD21      ASN   7   2.756   9.811   9.750
   40   HD22  ASN   7          HD22      ASN   7   1.160   9.884  10.465
   41    H    LYS   8           H        LYS   8  -0.981  10.025   5.295
   42    HA   LYS   8           HA       LYS   8  -1.329  12.927   5.714
   43    HB2  LYS   8           HB2      LYS   8  -1.888  11.522   3.072
   44    HB3  LYS   8           HB3      LYS   8  -2.453  13.147   3.507
   45    HG2  LYS   8           HG2      LYS   8  -0.089  13.877   3.804
   46    HG3  LYS   8           HG3      LYS   8   0.450  12.268   3.241
   47    HD2  LYS   8           HD2      LYS   8  -0.725  12.607   1.108
   48    HD3  LYS   8           HD3      LYS   8  -1.337  14.174   1.683
   49    HE2  LYS   8           HE2      LYS   8   0.564  14.520   0.197
   50    HE3  LYS   8           HE3      LYS   8   0.975  15.027   1.844
   51    HZ1  LYS   8           HZ1      LYS   8   2.116  12.939   2.134
   52    HZ2  LYS   8           HZ2      LYS   8   1.722  12.457   0.609
   53    HZ3  LYS   8           HZ3      LYS   8   2.725  13.737   0.830
   54    H    THR   9           H        THR   9  -3.643  13.478   5.854
   55    HA   THR   9           HA       THR   9  -5.402  11.105   6.208
   56    HB   THR   9           HB       THR   9  -6.318  12.117   8.259
   57    HG1  THR   9           HG1      THR   9  -5.129  13.806   9.207
   58   HG21  THR   9          HG21      THR   9  -3.299  11.712   8.395
   59   HG22  THR   9          HG22      THR   9  -4.453  11.538   9.735
   60   HG23  THR   9          HG23      THR   9  -4.503  10.401   8.375
   61    H    ASP  10           H        ASP  10  -4.996  13.530   4.251
   62    HA   ASP  10           HA       ASP  10  -7.422  15.052   4.424
   63    HB2  ASP  10           HB2      ASP  10  -5.601  14.457   2.064
   64    HB3  ASP  10           HB3      ASP  10  -6.822  15.732   2.108
   65    HA   PRO  11           HA       PRO  11 -10.412  12.303   2.880
   66    HB2  PRO  11           HB2      PRO  11 -12.174  13.922   1.546
   67    HB3  PRO  11           HB3      PRO  11 -11.920  14.009   3.318
   68    HG2  PRO  11           HG2      PRO  11 -10.597  15.703   1.176
   69    HG3  PRO  11           HG3      PRO  11 -11.463  16.267   2.649
   70    HD2  PRO  11           HD2      PRO  11  -8.773  16.026   2.620
   71    HD3  PRO  11           HD3      PRO  11  -9.701  15.514   4.063
   72    H    ARG  12           H        ARG  12  -8.026  13.250   0.912
   73    HA   ARG  12           HA       ARG  12  -9.029  11.460  -1.219
   74    HB2  ARG  12           HB2      ARG  12  -9.069  14.202  -1.584
   75    HB3  ARG  12           HB3      ARG  12  -7.495  13.764  -2.271
   76    HG2  ARG  12           HG2      ARG  12 -10.165  12.466  -2.971
   77    HG3  ARG  12           HG3      ARG  12  -9.388  13.741  -3.917
   78    HD2  ARG  12           HD2      ARG  12  -7.444  12.273  -4.336
   79    HD3  ARG  12           HD3      ARG  12  -8.199  10.987  -3.376
   80    HE   ARG  12           HE       ARG  12  -8.920  11.848  -6.089
   81   HH11  ARG  12          HH11      ARG  12  -9.946  10.075  -3.209
   82   HH12  ARG  12          HH12      ARG  12 -11.017   9.018  -4.098
   83   HH21  ARG  12          HH21      ARG  12 -10.391  10.503  -7.213
   84   HH22  ARG  12          HH22      ARG  12 -11.302   9.294  -6.335
   85    H    SER  13           H        SER  13  -6.348  13.090   0.462
   86    HA   SER  13           HA       SER  13  -4.298  11.737  -1.074
   87    HB2  SER  13           HB2      SER  13  -4.044  13.179   1.580
   88    HB3  SER  13           HB3      SER  13  -2.753  12.810   0.419
   89    HG   SER  13           HG       SER  13  -3.798  14.174  -1.071
   90    H    MET  14           H        MET  14  -6.227  10.818   1.741
   91    HA   MET  14           HA       MET  14  -4.251   8.689   2.298
   92    HB2  MET  14           HB2      MET  14  -5.226   8.335   4.319
   93    HB3  MET  14           HB3      MET  14  -5.418  10.087   4.130
   94    HG2  MET  14           HG2      MET  14  -7.759   9.780   3.501
   95    HG3  MET  14           HG3      MET  14  -7.567   8.026   3.523
   96    HE1  MET  14           HE1      MET  14  -5.615   7.814   6.313
   97    HE2  MET  14           HE2      MET  14  -6.942   7.277   7.350
   98    HE3  MET  14           HE3      MET  14  -6.803   6.658   5.686
   99    H    ASN  15           H        ASN  15  -6.571   9.156   0.062
  100    HA   ASN  15           HA       ASN  15  -7.507   6.331   0.156
  101    HB2  ASN  15           HB2      ASN  15  -8.650   8.635  -1.452
  102    HB3  ASN  15           HB3      ASN  15  -9.386   7.049  -1.159
  103   HD21  ASN  15          HD21      ASN  15  -9.623   6.513   1.318
  104   HD22  ASN  15          HD22      ASN  15 -10.185   7.832   2.323
  105    H    SER  16           H        SER  16  -5.559   8.651  -1.590
  106    HA   SER  16           HA       SER  16  -5.169   6.841  -3.864
  107    HB2  SER  16           HB2      SER  16  -3.563   8.592  -4.590
  108    HB3  SER  16           HB3      SER  16  -5.184   9.240  -4.254
  109    HG   SER  16           HG       SER  16  -3.581  10.525  -3.309
  110    H    ARG  17           H        ARG  17  -4.296   6.611  -0.745
  111    HA   ARG  17           HA       ARG  17  -1.511   5.705  -1.252
  112    HB2  ARG  17           HB2      ARG  17  -1.916   7.242   0.632
  113    HB3  ARG  17           HB3      ARG  17  -3.018   6.048   1.360
  114    HG2  ARG  17           HG2      ARG  17  -1.265   4.470   1.704
  115    HG3  ARG  17           HG3      ARG  17  -0.167   5.333   0.605
  116    HD2  ARG  17           HD2      ARG  17   0.459   5.698   2.944
  117    HD3  ARG  17           HD3      ARG  17   0.002   7.196   2.121
  118    HE   ARG  17           HE       ARG  17  -1.638   5.729   4.149
  119   HH11  ARG  17          HH11      ARG  17  -1.045   8.644   2.221
  120   HH12  ARG  17          HH12      ARG  17  -2.138   9.623   3.175
  121   HH21  ARG  17          HH21      ARG  17  -2.968   7.036   5.396
  122   HH22  ARG  17          HH22      ARG  17  -3.210   8.721   4.991
  123    H    VAL  18           H        VAL  18  -0.849   3.608  -0.576
  124    HA   VAL  18           HA       VAL  18  -3.042   1.625  -0.191
  125    HB   VAL  18           HB       VAL  18  -0.609   1.370  -1.990
  126   HG11  VAL  18          HG11      VAL  18  -1.603  -0.847  -2.543
  127   HG12  VAL  18          HG12      VAL  18  -1.047  -0.749  -0.865
  128   HG13  VAL  18          HG13      VAL  18  -2.783  -0.625  -1.226
  129   HG21  VAL  18          HG21      VAL  18  -2.386   2.681  -3.017
  130   HG22  VAL  18          HG22      VAL  18  -2.451   1.029  -3.700
  131   HG23  VAL  18          HG23      VAL  18  -3.616   1.520  -2.462
  132    H    PHE  19           H        PHE  19  -2.815   0.384   1.493
  133    HA   PHE  19           HA       PHE  19  -0.360   0.416   3.106
  134    HB2  PHE  19           HB2      PHE  19  -2.551   0.616   4.189
  135    HB3  PHE  19           HB3      PHE  19  -3.102  -0.856   3.399
  136    HD1  PHE  19           HD1      PHE  19   0.127  -0.195   5.218
  137    HD2  PHE  19           HD2      PHE  19  -3.587  -2.353   5.079
  138    HE1  PHE  19           HE1      PHE  19   0.842  -1.561   7.162
  139    HE2  PHE  19           HE2      PHE  19  -2.862  -3.729   7.011
  140    HZ   PHE  19           HZ       PHE  19  -0.647  -3.335   8.053
  141    H    ILE  20           H        ILE  20   1.129  -1.212   3.145
  142    HA   ILE  20           HA       ILE  20   0.465  -3.748   1.718
  143    HB   ILE  20           HB       ILE  20   3.109  -2.252   1.808
  144   HG12  ILE  20          HG12      ILE  20   1.455  -2.908  -0.660
  145   HG13  ILE  20          HG11      ILE  20   1.242  -1.402   0.237
  146   HG21  ILE  20          HG21      ILE  20   2.372  -4.881   0.424
  147   HG22  ILE  20          HG22      ILE  20   3.937  -4.059   0.298
  148   HG23  ILE  20          HG23      ILE  20   3.420  -4.729   1.845
  149   HD11  ILE  20          HD11      ILE  20   3.862  -2.356  -1.003
  150   HD12  ILE  20          HD12      ILE  20   2.800  -1.069  -1.623
  151   HD13  ILE  20          HD13      ILE  20   3.640  -0.864  -0.070
  152    H    GLY  21           H        GLY  21  -0.278  -4.535   3.713
  153    HA2  GLY  21           HA2      GLY  21   1.583  -4.772   5.973
  154    HA3  GLY  21           HA3      GLY  21  -0.070  -5.391   5.871
  155    H    ASN  22           H        ASN  22   1.695  -7.063   6.979
  156    HA   ASN  22           HA       ASN  22   2.800  -9.035   6.852
  157    HB2  ASN  22           HB2      ASN  22   0.415  -9.637   6.296
  158    HB3  ASN  22           HB3      ASN  22   0.857  -9.606   4.588
  159   HD21  ASN  22          HD21      ASN  22   0.213 -11.879   4.521
  160   HD22  ASN  22          HD22      ASN  22   1.352 -13.102   5.054
  161    H    LEU  23           H        LEU  23   4.338  -7.157   5.702
  162    HA   LEU  23           HA       LEU  23   5.313  -8.298   3.139
  163    HB2  LEU  23           HB2      LEU  23   4.767  -5.900   3.214
  164    HB3  LEU  23           HB3      LEU  23   5.878  -5.673   4.563
  165    HG   LEU  23           HG       LEU  23   7.788  -6.310   3.105
  166   HD11  LEU  23          HD11      LEU  23   7.428  -6.432   0.656
  167   HD12  LEU  23          HD12      LEU  23   6.667  -7.793   1.497
  168   HD13  LEU  23          HD13      LEU  23   5.672  -6.426   0.921
  169   HD21  LEU  23          HD21      LEU  23   5.989  -4.164   1.917
  170   HD22  LEU  23          HD22      LEU  23   7.038  -3.954   3.339
  171   HD23  LEU  23          HD23      LEU  23   7.756  -4.282   1.742
  172    H    ASN  24           H        ASN  24   7.520  -8.988   2.918
  173    HA   ASN  24           HA       ASN  24   8.532 -10.208   5.312
  174    HB2  ASN  24           HB2      ASN  24   8.754 -11.086   2.938
  175    HB3  ASN  24           HB3      ASN  24   9.940  -9.817   2.642
  176   HD21  ASN  24          HD21      ASN  24  11.838 -10.977   2.462
  177   HD22  ASN  24          HD22      ASN  24  12.467 -12.021   3.721
  178    H    THR  25           H        THR  25   9.399  -7.344   3.451
  179    HA   THR  25           HA       THR  25  10.828  -5.664   3.692
  180    HB   THR  25           HB       THR  25  10.863  -4.518   5.816
  181    HG1  THR  25           HG1      THR  25  11.095  -6.347   7.171
  182   HG21  THR  25          HG21      THR  25   8.188  -5.863   5.250
  183   HG22  THR  25          HG22      THR  25   8.419  -4.327   6.107
  184   HG23  THR  25          HG23      THR  25   8.859  -4.445   4.389
  185    H    LEU  26           H        LEU  26  11.968  -8.560   4.360
  186    HA   LEU  26           HA       LEU  26  14.615  -7.617   5.332
  187    HB2  LEU  26           HB2      LEU  26  13.094 -10.169   5.357
  188    HB3  LEU  26           HB3      LEU  26  14.832 -10.322   5.053
  189    HG   LEU  26           HG       LEU  26  15.334  -9.053   7.108
  190   HD11  LEU  26          HD11      LEU  26  12.332  -9.188   7.623
  191   HD12  LEU  26          HD12      LEU  26  13.564  -8.618   8.766
  192   HD13  LEU  26          HD13      LEU  26  13.259  -7.697   7.283
  193   HD21  LEU  26          HD21      LEU  26  15.175 -11.525   7.155
  194   HD22  LEU  26          HD22      LEU  26  14.643 -10.818   8.697
  195   HD23  LEU  26          HD23      LEU  26  13.442 -11.403   7.524
  196    H    VAL  27           H        VAL  27  12.924  -8.386   2.450
  197    HA   VAL  27           HA       VAL  27  15.513  -8.475   0.960
  198    HB   VAL  27           HB       VAL  27  12.982 -10.048   0.354
  199   HG11  VAL  27          HG11      VAL  27  14.391 -11.128  -1.399
  200   HG12  VAL  27          HG12      VAL  27  14.103  -9.413  -1.724
  201   HG13  VAL  27          HG13      VAL  27  15.676  -9.942  -1.068
  202   HG21  VAL  27          HG21      VAL  27  14.267 -11.007   2.237
  203   HG22  VAL  27          HG22      VAL  27  14.414 -12.024   0.791
  204   HG23  VAL  27          HG23      VAL  27  15.751 -10.949   1.259
  205    H    VAL  28           H        VAL  28  12.318  -7.124   1.362
  206    HA   VAL  28           HA       VAL  28  12.670  -5.590  -1.173
  207    HB   VAL  28           HB       VAL  28  10.178  -6.058   0.494
  208   HG11  VAL  28          HG11      VAL  28  10.585  -4.635  -2.172
  209   HG12  VAL  28          HG12      VAL  28   9.016  -4.992  -1.413
  210   HG13  VAL  28          HG13      VAL  28  10.137  -3.864  -0.632
  211   HG21  VAL  28          HG21      VAL  28   9.471  -7.333  -1.544
  212   HG22  VAL  28          HG22      VAL  28  11.103  -7.126  -2.214
  213   HG23  VAL  28          HG23      VAL  28  10.858  -8.080  -0.730
  214    H    LYS  29           H        LYS  29  12.855  -3.418  -1.153
  215    HA   LYS  29           HA       LYS  29  12.778  -1.984   1.475
  216    HB2  LYS  29           HB2      LYS  29  14.888  -1.914  -0.717
  217    HB3  LYS  29           HB3      LYS  29  14.681  -0.620   0.455
  218    HG2  LYS  29           HG2      LYS  29  16.443  -1.933   1.279
  219    HG3  LYS  29           HG3      LYS  29  15.054  -2.256   2.311
  220    HD2  LYS  29           HD2      LYS  29  16.414  -4.273   1.766
  221    HD3  LYS  29           HD3      LYS  29  14.722  -4.433   1.310
  222    HE2  LYS  29           HE2      LYS  29  16.140  -5.319  -0.463
  223    HE3  LYS  29           HE3      LYS  29  15.293  -3.879  -1.038
  224    HZ1  LYS  29           HZ1      LYS  29  17.601  -3.867  -1.661
  225    HZ2  LYS  29           HZ2      LYS  29  17.302  -2.620  -0.634
  226    HZ3  LYS  29           HZ3      LYS  29  18.086  -3.956  -0.092
  227    H    LYS  30           H        LYS  30  12.816   0.436   1.059
  228    HA   LYS  30           HA       LYS  30  10.493   1.128  -0.465
  229    HB2  LYS  30           HB2      LYS  30  11.044   3.426   0.276
  230    HB3  LYS  30           HB3      LYS  30  11.058   2.231   1.582
  231    HG2  LYS  30           HG2      LYS  30  13.677   2.112   0.924
  232    HG3  LYS  30           HG3      LYS  30  13.340   3.770   0.397
  233    HD2  LYS  30           HD2      LYS  30  12.722   2.557   3.117
  234    HD3  LYS  30           HD3      LYS  30  14.086   3.634   2.774
  235    HE2  LYS  30           HE2      LYS  30  12.523   5.448   2.156
  236    HE3  LYS  30           HE3      LYS  30  11.142   4.379   2.459
  237    HZ1  LYS  30           HZ1      LYS  30  11.577   5.793   4.340
  238    HZ2  LYS  30           HZ2      LYS  30  11.848   4.230   4.756
  239    HZ3  LYS  30           HZ3      LYS  30  13.116   5.237   4.472
  240    H    SER  31           H        SER  31  13.614   0.543  -1.532
  241    HA   SER  31           HA       SER  31  13.446   2.396  -3.837
  242    HB2  SER  31           HB2      SER  31  15.682   1.410  -4.351
  243    HB3  SER  31           HB3      SER  31  15.597   2.186  -2.748
  244    HG   SER  31           HG       SER  31  16.599   0.103  -2.718
  245    H    ASP  32           H        ASP  32  12.476  -0.733  -2.911
  246    HA   ASP  32           HA       ASP  32  12.463  -1.802  -5.684
  247    HB2  ASP  32           HB2      ASP  32  12.125  -3.014  -2.919
  248    HB3  ASP  32           HB3      ASP  32  11.796  -3.912  -4.397
  249    H    VAL  33           H        VAL  33  10.347  -0.832  -2.949
  250    HA   VAL  33           HA       VAL  33   7.938  -1.929  -4.059
  251    HB   VAL  33           HB       VAL  33   8.467   0.335  -2.102
  252   HG11  VAL  33          HG11      VAL  33   5.867  -1.163  -2.668
  253   HG12  VAL  33          HG12      VAL  33   6.120   0.081  -1.426
  254   HG13  VAL  33          HG13      VAL  33   6.197   0.519  -3.143
  255   HG21  VAL  33          HG21      VAL  33   9.234  -1.882  -1.329
  256   HG22  VAL  33          HG22      VAL  33   7.786  -1.369  -0.429
  257   HG23  VAL  33          HG23      VAL  33   7.645  -2.575  -1.726
  258    H    GLU  34           H        GLU  34   9.764   1.066  -4.565
  259    HA   GLU  34           HA       GLU  34   7.626   2.293  -6.120
  260    HB2  GLU  34           HB2      GLU  34   9.195   4.094  -6.517
  261    HB3  GLU  34           HB3      GLU  34   9.132   3.681  -4.793
  262    HG2  GLU  34           HG2      GLU  34  11.212   2.376  -5.011
  263    HG3  GLU  34           HG3      GLU  34  11.266   2.723  -6.745
  264    H    ALA  35           H        ALA  35   9.336  -0.346  -6.831
  265    HA   ALA  35           HA       ALA  35   9.383   0.324  -9.732
  266    HB1  ALA  35           HB1      ALA  35  11.675   0.074  -8.839
  267    HB2  ALA  35           HB2      ALA  35  11.249  -1.535  -8.203
  268    HB3  ALA  35           HB3      ALA  35  11.274  -1.242  -9.958
  269    H    ILE  36           H        ILE  36   8.011  -1.537  -7.232
  270    HA   ILE  36           HA       ILE  36   7.143  -3.670  -9.131
  271    HB   ILE  36           HB       ILE  36   7.136  -3.508  -6.090
  272   HG12  ILE  36          HG12      ILE  36   8.690  -5.404  -7.885
  273   HG13  ILE  36          HG11      ILE  36   9.346  -3.839  -7.372
  274   HG21  ILE  36          HG21      ILE  36   6.255  -5.753  -7.955
  275   HG22  ILE  36          HG22      ILE  36   6.417  -5.892  -6.187
  276   HG23  ILE  36          HG23      ILE  36   5.205  -4.812  -6.876
  277   HD11  ILE  36          HD11      ILE  36   8.468  -6.085  -5.511
  278   HD12  ILE  36          HD12      ILE  36  10.138  -5.580  -5.858
  279   HD13  ILE  36          HD13      ILE  36   9.036  -4.483  -4.993
  280    H    PHE  37           H        PHE  37   6.055  -0.976  -7.114
  281    HA   PHE  37           HA       PHE  37   3.239  -1.637  -7.755
  282    HB2  PHE  37           HB2      PHE  37   4.539   0.186  -5.719
  283    HB3  PHE  37           HB3      PHE  37   2.818   0.209  -6.054
  284    HD1  PHE  37           HD1      PHE  37   5.585  -1.966  -4.851
  285    HD2  PHE  37           HD2      PHE  37   1.334  -1.398  -5.129
  286    HE1  PHE  37           HE1      PHE  37   5.229  -3.881  -3.306
  287    HE2  PHE  37           HE2      PHE  37   0.980  -3.297  -3.579
  288    HZ   PHE  37           HZ       PHE  37   2.931  -4.532  -2.653
  289    H    SER  38           H        SER  38   5.808   0.204  -8.963
  290    HA   SER  38           HA       SER  38   4.346   2.599  -9.678
  291    HB2  SER  38           HB2      SER  38   6.797   2.494  -9.381
  292    HB3  SER  38           HB3      SER  38   6.920   1.452 -10.818
  293    HG   SER  38           HG       SER  38   7.274   3.673 -11.286
  294    H    LYS  39           H        LYS  39   4.339  -0.615 -10.897
  295    HA   LYS  39           HA       LYS  39   3.699   0.118 -13.649
  296    HB2  LYS  39           HB2      LYS  39   3.553  -2.289 -13.981
  297    HB3  LYS  39           HB3      LYS  39   5.015  -1.874 -13.063
  298    HG2  LYS  39           HG2      LYS  39   3.571  -2.303 -10.944
  299    HG3  LYS  39           HG3      LYS  39   2.439  -3.115 -12.050
  300    HD2  LYS  39           HD2      LYS  39   5.391  -3.766 -11.704
  301    HD3  LYS  39           HD3      LYS  39   4.039  -4.703 -11.018
  302    HE2  LYS  39           HE2      LYS  39   3.196  -5.153 -13.303
  303    HE3  LYS  39           HE3      LYS  39   4.549  -4.237 -13.989
  304    HZ1  LYS  39           HZ1      LYS  39   6.045  -5.826 -12.994
  305    HZ2  LYS  39           HZ2      LYS  39   4.785  -6.681 -12.368
  306    HZ3  LYS  39           HZ3      LYS  39   4.986  -6.584 -13.995
  307    H    TYR  40           H        TYR  40   1.947  -0.028 -10.715
  308    HA   TYR  40           HA       TYR  40  -0.617  -0.474 -12.173
  309    HB2  TYR  40           HB2      TYR  40  -0.054  -0.490  -9.190
  310    HB3  TYR  40           HB3      TYR  40  -1.587  -0.877  -9.969
  311    HD1  TYR  40           HD1      TYR  40  -1.646  -2.846 -11.629
  312    HD2  TYR  40           HD2      TYR  40   1.545  -2.189  -8.828
  313    HE1  TYR  40           HE1      TYR  40  -0.903  -5.198 -11.933
  314    HE2  TYR  40           HE2      TYR  40   2.313  -4.521  -9.137
  315    HH   TYR  40           HH       TYR  40   0.645  -6.787 -11.373
  316    H    GLY  41           H        GLY  41   1.369   1.966 -10.744
  317    HA2  GLY  41           HA2      GLY  41  -0.334   4.013 -11.753
  318    HA3  GLY  41           HA3      GLY  41  -0.542   3.901  -9.993
  319    H    LYS  42           H        LYS  42   0.472   6.181 -11.321
  320    HA   LYS  42           HA       LYS  42   3.359   6.277 -11.170
  321    HB2  LYS  42           HB2      LYS  42   2.167   7.779 -12.639
  322    HB3  LYS  42           HB3      LYS  42   1.146   8.360 -11.306
  323    HG2  LYS  42           HG2      LYS  42   3.078   9.394 -10.216
  324    HG3  LYS  42           HG3      LYS  42   4.156   8.781 -11.494
  325    HD2  LYS  42           HD2      LYS  42   3.064  10.136 -13.168
  326    HD3  LYS  42           HD3      LYS  42   1.749  10.564 -12.052
  327    HE2  LYS  42           HE2      LYS  42   3.308  11.737 -10.590
  328    HE3  LYS  42           HE3      LYS  42   4.672  11.287 -11.631
  329    HZ1  LYS  42           HZ1      LYS  42   3.646  12.558 -13.399
  330    HZ2  LYS  42           HZ2      LYS  42   2.390  12.979 -12.426
  331    HZ3  LYS  42           HZ3      LYS  42   3.909  13.512 -12.091
  332    H    ILE  43           H        ILE  43   4.454   6.111  -9.321
  333    HA   ILE  43           HA       ILE  43   3.135   6.656  -6.768
  334    HB   ILE  43           HB       ILE  43   5.895   5.630  -7.497
  335   HG12  ILE  43          HG12      ILE  43   3.383   4.298  -6.406
  336   HG13  ILE  43          HG11      ILE  43   3.972   4.167  -8.070
  337   HG21  ILE  43          HG21      ILE  43   6.129   5.047  -5.117
  338   HG22  ILE  43          HG22      ILE  43   5.895   6.790  -5.276
  339   HG23  ILE  43          HG23      ILE  43   4.536   5.753  -4.770
  340   HD11  ILE  43          HD11      ILE  43   5.418   3.146  -5.588
  341   HD12  ILE  43          HD12      ILE  43   4.575   2.173  -6.799
  342   HD13  ILE  43          HD13      ILE  43   6.036   3.072  -7.264
  343    H    VAL  44           H        VAL  44   3.272   8.445  -5.612
  344    HA   VAL  44           HA       VAL  44   5.223  10.535  -6.446
  345    HB   VAL  44           HB       VAL  44   3.676  12.141  -5.433
  346   HG11  VAL  44          HG11      VAL  44   2.308  10.291  -7.426
  347   HG12  VAL  44          HG12      VAL  44   1.904  11.991  -7.104
  348   HG13  VAL  44          HG13      VAL  44   3.479  11.577  -7.824
  349   HG21  VAL  44          HG21      VAL  44   2.636  10.644  -3.737
  350   HG22  VAL  44          HG22      VAL  44   1.416  11.450  -4.744
  351   HG23  VAL  44          HG23      VAL  44   1.820   9.751  -5.042
  352    H    GLY  45           H        GLY  45   4.660   8.196  -4.103
  353    HA2  GLY  45           HA2      GLY  45   6.861   9.076  -2.510
  354    HA3  GLY  45           HA3      GLY  45   5.331   9.359  -1.652
  355    H    CYS  46           H        CYS  46   7.559   7.419  -1.110
  356    HA   CYS  46           HA       CYS  46   5.855   5.069  -0.690
  357    HB2  CYS  46           HB2      CYS  46   6.819   4.661  -2.934
  358    HB3  CYS  46           HB3      CYS  46   8.455   4.910  -2.277
  359    HG   CYS  46           HG       CYS  46   6.196   2.738  -1.244
  360    H    SER  47           H        SER  47   6.519   3.858   1.085
  361    HA   SER  47           HA       SER  47   9.178   4.325   2.232
  362    HB2  SER  47           HB2      SER  47   7.760   6.158   3.168
  363    HB3  SER  47           HB3      SER  47   6.662   4.923   3.837
  364    HG   SER  47           HG       SER  47   8.276   5.615   5.334
  365    H    VAL  48           H        VAL  48   9.881   2.634   3.460
  366    HA   VAL  48           HA       VAL  48   7.976   0.367   3.847
  367    HB   VAL  48           HB       VAL  48  10.913   0.298   3.086
  368   HG11  VAL  48          HG11      VAL  48  10.598  -2.171   3.020
  369   HG12  VAL  48          HG12      VAL  48  10.462  -1.521   4.663
  370   HG13  VAL  48          HG13      VAL  48   8.993  -1.973   3.763
  371   HG21  VAL  48          HG21      VAL  48   9.330   0.763   1.231
  372   HG22  VAL  48          HG22      VAL  48  10.031  -0.863   1.080
  373   HG23  VAL  48          HG23      VAL  48   8.374  -0.662   1.690
  374    H    HIS  49           H        HIS  49   8.148  -0.792   5.724
  375    HA   HIS  49           HA       HIS  49   9.799   0.353   7.921
  376    HB2  HIS  49           HB2      HIS  49   6.861  -0.429   8.045
  377    HB3  HIS  49           HB3      HIS  49   7.825   0.267   9.357
  378    HD2  HIS  49           HD2      HIS  49   6.322   1.251   5.898
  379    HE1  HIS  49           HE1      HIS  49   6.990   4.850   8.055
  380    HE2  HIS  49           HE2      HIS  49   6.017   3.852   5.926
  381    H    LYS  50           H        LYS  50   8.823  -1.453   9.907
  382    HA   LYS  50           HA       LYS  50   9.954  -3.952   8.812
  383    HB2  LYS  50           HB2      LYS  50  10.611  -2.695  11.034
  384    HB3  LYS  50           HB3      LYS  50   9.216  -3.542  11.711
  385    HG2  LYS  50           HG2      LYS  50  11.625  -4.786  10.306
  386    HG3  LYS  50           HG3      LYS  50  11.339  -4.762  12.053
  387    HD2  LYS  50           HD2      LYS  50   9.262  -6.120  11.693
  388    HD3  LYS  50           HD3      LYS  50   9.678  -6.226   9.961
  389    HE2  LYS  50           HE2      LYS  50  11.847  -7.267  10.546
  390    HE3  LYS  50           HE3      LYS  50  11.412  -7.192  12.264
  391    HZ1  LYS  50           HZ1      LYS  50   9.940  -8.694  10.195
  392    HZ2  LYS  50           HZ2      LYS  50  10.951  -9.344  11.315
  393    HZ3  LYS  50           HZ3      LYS  50   9.553  -8.633  11.793
  394    H    GLY  51           H        GLY  51   8.606  -5.364   7.952
  395    HA2  GLY  51           HA2      GLY  51   6.925  -6.962   7.986
  396    HA3  GLY  51           HA3      GLY  51   6.220  -6.182   9.415
  397    H    PHE  52           H        PHE  52   6.515  -3.542   7.551
  398    HA   PHE  52           HA       PHE  52   4.319  -4.102   5.679
  399    HB2  PHE  52           HB2      PHE  52   2.871  -2.376   6.544
  400    HB3  PHE  52           HB3      PHE  52   3.145  -3.593   7.786
  401    HD1  PHE  52           HD1      PHE  52   4.613  -3.088   9.745
  402    HD2  PHE  52           HD2      PHE  52   3.573  -0.100   6.828
  403    HE1  PHE  52           HE1      PHE  52   5.323  -1.308  11.315
  404    HE2  PHE  52           HE2      PHE  52   4.288   1.673   8.398
  405    HZ   PHE  52           HZ       PHE  52   5.164   1.072  10.644
  406    H    ALA  53           H        ALA  53   3.767  -2.144   4.374
  407    HA   ALA  53           HA       ALA  53   5.799  -0.014   4.280
  408    HB1  ALA  53           HB1      ALA  53   5.248  -1.908   1.956
  409    HB2  ALA  53           HB2      ALA  53   6.185  -0.399   1.858
  410    HB3  ALA  53           HB3      ALA  53   6.766  -1.747   2.864
  411    H    PHE  54           H        PHE  54   5.161   1.571   2.462
  412    HA   PHE  54           HA       PHE  54   2.245   1.677   1.977
  413    HB2  PHE  54           HB2      PHE  54   3.914   3.637   3.555
  414    HB3  PHE  54           HB3      PHE  54   2.562   4.219   2.588
  415    HD1  PHE  54           HD1      PHE  54   0.266   3.194   2.898
  416    HD2  PHE  54           HD2      PHE  54   3.462   2.744   5.745
  417    HE1  PHE  54           HE1      PHE  54  -1.384   2.642   4.661
  418    HE2  PHE  54           HE2      PHE  54   1.811   2.153   7.496
  419    HZ   PHE  54           HZ       PHE  54  -0.612   2.115   6.959
  420    H    VAL  55           H        VAL  55   1.648   2.778   0.159
  421    HA   VAL  55           HA       VAL  55   3.769   4.063  -1.481
  422    HB   VAL  55           HB       VAL  55   1.764   1.968  -2.420
  423   HG11  VAL  55          HG11      VAL  55   3.749   3.670  -3.981
  424   HG12  VAL  55          HG12      VAL  55   2.839   2.300  -4.649
  425   HG13  VAL  55          HG13      VAL  55   1.973   3.746  -4.099
  426   HG21  VAL  55          HG21      VAL  55   3.811   1.047  -1.340
  427   HG22  VAL  55          HG22      VAL  55   3.797   0.737  -3.088
  428   HG23  VAL  55          HG23      VAL  55   4.812   2.044  -2.421
  429    H    GLN  56           H        GLN  56   3.106   5.878  -2.494
  430    HA   GLN  56           HA       GLN  56   0.264   6.663  -2.100
  431    HB2  GLN  56           HB2      GLN  56   2.035   7.849  -0.721
  432    HB3  GLN  56           HB3      GLN  56   2.768   8.392  -2.234
  433    HG2  GLN  56           HG2      GLN  56   1.462  10.220  -1.530
  434    HG3  GLN  56           HG3      GLN  56   0.481   9.458  -2.788
  435   HE21  GLN  56          HE21      GLN  56  -1.649   9.452  -2.232
  436   HE22  GLN  56          HE22      GLN  56  -2.260   9.235  -0.613
  437    H    TYR  57           H        TYR  57  -0.873   7.181  -3.891
  438    HA   TYR  57           HA       TYR  57   0.601   7.419  -6.468
  439    HB2  TYR  57           HB2      TYR  57  -2.226   6.489  -5.872
  440    HB3  TYR  57           HB3      TYR  57  -1.534   6.709  -7.486
  441    HD1  TYR  57           HD1      TYR  57   0.946   5.534  -7.659
  442    HD2  TYR  57           HD2      TYR  57  -2.380   4.230  -5.250
  443    HE1  TYR  57           HE1      TYR  57   1.860   3.218  -7.638
  444    HE2  TYR  57           HE2      TYR  57  -1.449   1.942  -5.213
  445    HH   TYR  57           HH       TYR  57   0.240   0.572  -5.868
  446    H    VAL  58           H        VAL  58  -0.906   8.623  -8.138
  447    HA   VAL  58           HA       VAL  58  -1.191  11.332  -7.169
  448    HB   VAL  58           HB       VAL  58  -1.856   9.949  -9.801
  449   HG11  VAL  58          HG11      VAL  58  -1.952  12.917  -9.100
  450   HG12  VAL  58          HG12      VAL  58  -2.059  12.241 -10.748
  451   HG13  VAL  58          HG13      VAL  58  -3.333  11.896  -9.572
  452   HG21  VAL  58          HG21      VAL  58   0.545  10.112  -9.243
  453   HG22  VAL  58          HG22      VAL  58   0.128  11.190 -10.590
  454   HG23  VAL  58          HG23      VAL  58   0.364  11.858  -8.961
  455    H    ASN  59           H        ASN  59  -3.424   8.594  -7.727
  456    HA   ASN  59           HA       ASN  59  -5.450  10.076  -6.242
  457    HB2  ASN  59           HB2      ASN  59  -7.051  10.341  -7.832
  458    HB3  ASN  59           HB3      ASN  59  -5.593  10.688  -8.781
  459   HD21  ASN  59          HD21      ASN  59  -4.632   8.370  -9.698
  460   HD22  ASN  59          HD22      ASN  59  -5.852   7.462 -10.548
  461    H    GLU  60           H        GLU  60  -7.505   8.748  -6.007
  462    HA   GLU  60           HA       GLU  60  -6.888   6.285  -4.785
  463    HB2  GLU  60           HB2      GLU  60  -8.753   7.688  -4.166
  464    HB3  GLU  60           HB3      GLU  60  -9.481   7.494  -5.775
  465    HG2  GLU  60           HG2      GLU  60  -9.811   5.090  -5.352
  466    HG3  GLU  60           HG3      GLU  60  -9.014   5.239  -3.777
  467    H    ARG  61           H        ARG  61  -7.895   6.957  -8.172
  468    HA   ARG  61           HA       ARG  61  -8.765   4.329  -8.782
  469    HB2  ARG  61           HB2      ARG  61  -9.190   6.140 -10.318
  470    HB3  ARG  61           HB3      ARG  61  -7.460   6.518 -10.444
  471    HG2  ARG  61           HG2      ARG  61  -8.325   5.338 -12.450
  472    HG3  ARG  61           HG3      ARG  61  -7.003   4.491 -11.636
  473    HD2  ARG  61           HD2      ARG  61  -8.717   2.906 -12.288
  474    HD3  ARG  61           HD3      ARG  61  -8.640   3.010 -10.520
  475    HE   ARG  61           HE       ARG  61 -10.599   4.847 -11.571
  476   HH11  ARG  61          HH11      ARG  61 -10.065   1.422 -10.888
  477   HH12  ARG  61          HH12      ARG  61 -11.769   1.080 -10.676
  478   HH21  ARG  61          HH21      ARG  61 -12.816   4.372 -11.281
  479   HH22  ARG  61          HH22      ARG  61 -13.318   2.741 -10.906
  480    H    ASN  62           H        ASN  62  -5.492   5.785  -8.690
  481    HA   ASN  62           HA       ASN  62  -4.207   3.446  -9.796
  482    HB2  ASN  62           HB2      ASN  62  -3.294   5.900  -8.268
  483    HB3  ASN  62           HB3      ASN  62  -2.168   4.608  -8.754
  484   HD21  ASN  62          HD21      ASN  62  -2.740   3.864 -11.196
  485   HD22  ASN  62          HD22      ASN  62  -2.763   5.202 -12.330
  486    H    ALA  63           H        ALA  63  -5.312   4.356  -6.587
  487    HA   ALA  63           HA       ALA  63  -3.669   2.406  -5.194
  488    HB1  ALA  63           HB1      ALA  63  -4.563   4.396  -4.054
  489    HB2  ALA  63           HB2      ALA  63  -6.227   3.832  -4.355
  490    HB3  ALA  63           HB3      ALA  63  -5.164   2.904  -3.288
  491    H    ARG  64           H        ARG  64  -6.953   2.453  -6.600
  492    HA   ARG  64           HA       ARG  64  -7.695  -0.129  -5.537
  493    HB2  ARG  64           HB2      ARG  64  -8.730   1.361  -7.986
  494    HB3  ARG  64           HB3      ARG  64  -9.513  -0.027  -7.218
  495    HG2  ARG  64           HG2      ARG  64  -9.036   2.694  -5.925
  496    HG3  ARG  64           HG3      ARG  64 -10.573   2.105  -6.569
  497    HD2  ARG  64           HD2      ARG  64 -10.589   0.289  -4.903
  498    HD3  ARG  64           HD3      ARG  64  -9.029   0.858  -4.257
  499    HE   ARG  64           HE       ARG  64 -10.691   3.081  -4.186
  500   HH11  ARG  64          HH11      ARG  64 -10.803  -0.177  -2.794
  501   HH12  ARG  64          HH12      ARG  64 -11.713   0.352  -1.390
  502   HH21  ARG  64          HH21      ARG  64 -11.875   3.705  -2.376
  503   HH22  ARG  64          HH22      ARG  64 -12.323   2.523  -1.163
  504    H    ALA  65           H        ALA  65  -5.801   0.919  -8.325
  505    HA   ALA  65           HA       ALA  65  -6.038  -1.632  -9.702
  506    HB1  ALA  65           HB1      ALA  65  -4.094   0.690 -10.057
  507    HB2  ALA  65           HB2      ALA  65  -4.351  -0.649 -11.202
  508    HB3  ALA  65           HB3      ALA  65  -5.660   0.513 -10.880
  509    H    ALA  66           H        ALA  66  -3.746  -0.155  -7.368
  510    HA   ALA  66           HA       ALA  66  -1.854  -2.348  -7.697
  511    HB1  ALA  66           HB1      ALA  66  -2.040  -0.122  -5.639
  512    HB2  ALA  66           HB2      ALA  66  -0.643  -1.187  -5.927
  513    HB3  ALA  66           HB3      ALA  66  -1.169  -0.046  -7.192
  514    H    VAL  67           H        VAL  67  -4.428  -1.429  -5.372
  515    HA   VAL  67           HA       VAL  67  -3.906  -3.511  -3.481
  516    HB   VAL  67           HB       VAL  67  -6.382  -1.937  -4.248
  517   HG11  VAL  67          HG11      VAL  67  -6.023  -3.888  -1.935
  518   HG12  VAL  67          HG12      VAL  67  -7.361  -2.725  -2.088
  519   HG13  VAL  67          HG13      VAL  67  -7.188  -4.031  -3.268
  520   HG21  VAL  67          HG21      VAL  67  -4.436  -0.751  -3.130
  521   HG22  VAL  67          HG22      VAL  67  -5.928  -0.739  -2.165
  522   HG23  VAL  67          HG23      VAL  67  -4.613  -1.868  -1.763
  523    H    ALA  68           H        ALA  68  -5.626  -3.435  -6.600
  524    HA   ALA  68           HA       ALA  68  -6.514  -6.224  -6.183
  525    HB1  ALA  68           HB1      ALA  68  -6.973  -4.294  -8.486
  526    HB2  ALA  68           HB2      ALA  68  -7.744  -5.885  -8.284
  527    HB3  ALA  68           HB3      ALA  68  -8.086  -4.582  -7.127
  528    H    GLY  69           H        GLY  69  -3.747  -4.620  -7.382
  529    HA2  GLY  69           HA2      GLY  69  -3.181  -6.725  -9.398
  530    HA3  GLY  69           HA3      GLY  69  -2.369  -5.164  -9.232
  531    H    GLU  70           H        GLU  70  -2.403  -6.015  -6.099
  532    HA   GLU  70           HA       GLU  70   0.036  -7.742  -6.278
  533    HB2  GLU  70           HB2      GLU  70  -0.269  -5.017  -4.997
  534    HB3  GLU  70           HB3      GLU  70   1.000  -6.153  -4.515
  535    HG2  GLU  70           HG2      GLU  70   0.636  -5.294  -7.404
  536    HG3  GLU  70           HG3      GLU  70   1.653  -4.413  -6.259
  537    H    ASP  71           H        ASP  71  -2.893  -6.827  -4.508
  538    HA   ASP  71           HA       ASP  71  -2.128  -7.935  -1.994
  539    HB2  ASP  71           HB2      ASP  71  -4.134  -6.559  -2.292
  540    HB3  ASP  71           HB3      ASP  71  -4.844  -7.790  -3.351
  541    H    GLY  72           H        GLY  72  -1.477  -9.956  -1.539
  542    HA2  GLY  72           HA2      GLY  72  -1.735 -12.269  -1.370
  543    HA3  GLY  72           HA3      GLY  72  -2.994 -12.229  -2.626
  544    H    ARG  73           H        ARG  73  -0.273 -10.391  -3.563
  545    HA   ARG  73           HA       ARG  73   0.718 -12.438  -5.379
  546    HB2  ARG  73           HB2      ARG  73   2.115 -10.764  -6.242
  547    HB3  ARG  73           HB3      ARG  73   0.621  -9.930  -5.815
  548    HG2  ARG  73           HG2      ARG  73   1.965  -8.474  -4.695
  549    HG3  ARG  73           HG3      ARG  73   2.078  -9.743  -3.459
  550    HD2  ARG  73           HD2      ARG  73   4.311  -9.029  -4.054
  551    HD3  ARG  73           HD3      ARG  73   4.093 -10.649  -4.735
  552    HE   ARG  73           HE       ARG  73   3.533  -8.251  -6.402
  553   HH11  ARG  73          HH11      ARG  73   5.592 -11.109  -5.862
  554   HH12  ARG  73          HH12      ARG  73   6.325 -10.977  -7.440
  555   HH21  ARG  73          HH21      ARG  73   4.502  -8.147  -8.402
  556   HH22  ARG  73          HH22      ARG  73   5.728  -9.306  -8.871
  557    H    MET  74           H        MET  74   3.238 -12.857  -5.255
  558    HA   MET  74           HA       MET  74   3.825 -13.424  -2.380
  559    HB2  MET  74           HB2      MET  74   3.287 -15.382  -3.803
  560    HB3  MET  74           HB3      MET  74   4.707 -15.030  -4.808
  561    HG2  MET  74           HG2      MET  74   6.206 -15.444  -3.031
  562    HG3  MET  74           HG3      MET  74   4.942 -15.278  -1.802
  563    HE1  MET  74           HE1      MET  74   3.314 -17.060  -1.035
  564    HE2  MET  74           HE2      MET  74   2.560 -16.927  -2.633
  565    HE3  MET  74           HE3      MET  74   2.928 -18.530  -1.955
  566    H    ILE  75           H        ILE  75   5.453 -12.331  -1.560
  567    HA   ILE  75           HA       ILE  75   7.687 -11.573  -3.374
  568    HB   ILE  75           HB       ILE  75   5.814  -9.855  -1.974
  569   HG12  ILE  75          HG12      ILE  75   8.165  -9.379  -3.850
  570   HG13  ILE  75          HG11      ILE  75   6.501  -9.749  -4.328
  571   HG21  ILE  75          HG21      ILE  75   8.758  -9.409  -1.332
  572   HG22  ILE  75          HG22      ILE  75   7.416  -8.275  -0.993
  573   HG23  ILE  75          HG23      ILE  75   7.481  -9.833  -0.165
  574   HD11  ILE  75          HD11      ILE  75   7.410  -7.239  -2.836
  575   HD12  ILE  75          HD12      ILE  75   6.958  -7.352  -4.549
  576   HD13  ILE  75          HD13      ILE  75   5.734  -7.618  -3.295
  577    H    ALA  76           H        ALA  76   9.700 -11.836  -2.600
  578    HA   ALA  76           HA       ALA  76  11.293 -12.935  -1.437
  579    HB1  ALA  76           HB1      ALA  76   9.850 -11.861   1.008
  580    HB2  ALA  76           HB2      ALA  76  11.554 -12.356   0.888
  581    HB3  ALA  76           HB3      ALA  76  10.974 -10.927  -0.004
  582    H    GLY  77           H        GLY  77   8.564 -14.304  -1.903
  583    HA2  GLY  77           HA2      GLY  77   8.093 -16.582  -1.744
  584    HA3  GLY  77           HA3      GLY  77   9.235 -16.730  -0.389
  585    H    GLN  78           H        GLN  78   7.272 -14.024   0.187
  586    HA   GLN  78           HA       GLN  78   5.299 -15.633   1.730
  587    HB2  GLN  78           HB2      GLN  78   6.990 -14.849   3.229
  588    HB3  GLN  78           HB3      GLN  78   6.990 -13.245   2.504
  589    HG2  GLN  78           HG2      GLN  78   4.310 -13.835   3.420
  590    HG3  GLN  78           HG3      GLN  78   5.464 -14.178   4.725
  591   HE21  GLN  78          HE21      GLN  78   5.173 -11.734   2.077
  592   HE22  GLN  78          HE22      GLN  78   5.400 -10.344   3.123
  593    H    VAL  79           H        VAL  79   3.234 -15.103   1.481
  594    HA   VAL  79           HA       VAL  79   2.349 -13.385  -0.621
  595    HB   VAL  79           HB       VAL  79   0.816 -14.557   1.739
  596   HG11  VAL  79          HG11      VAL  79  -0.075 -13.623  -1.012
  597   HG12  VAL  79          HG12      VAL  79  -1.107 -14.449   0.171
  598   HG13  VAL  79          HG13      VAL  79  -0.467 -12.836   0.546
  599   HG21  VAL  79          HG21      VAL  79   2.004 -16.319   0.499
  600   HG22  VAL  79          HG22      VAL  79   0.268 -16.396   0.166
  601   HG23  VAL  79          HG23      VAL  79   1.364 -15.681  -1.038
  602    H    LEU  80           H        LEU  80   1.554 -11.332  -0.641
  603    HA   LEU  80           HA       LEU  80   1.938  -9.734   1.825
  604    HB2  LEU  80           HB2      LEU  80   1.270  -8.815  -0.995
  605    HB3  LEU  80           HB3      LEU  80   1.727  -7.803   0.379
  606    HG   LEU  80           HG       LEU  80   3.464  -9.822  -1.095
  607   HD11  LEU  80          HD11      LEU  80   3.593  -6.813  -0.645
  608   HD12  LEU  80          HD12      LEU  80   4.844  -7.776  -1.456
  609   HD13  LEU  80          HD13      LEU  80   3.219  -7.642  -2.178
  610   HD21  LEU  80          HD21      LEU  80   3.970  -9.977   1.316
  611   HD22  LEU  80          HD22      LEU  80   5.269  -9.128   0.457
  612   HD23  LEU  80          HD23      LEU  80   4.074  -8.201   1.409
  613    H    ASP  81           H        ASP  81   0.363  -8.256   2.586
  614    HA   ASP  81           HA       ASP  81  -2.443  -8.885   1.787
  615    HB2  ASP  81           HB2      ASP  81  -1.905  -9.769   4.059
  616    HB3  ASP  81           HB3      ASP  81  -1.418  -8.153   4.558
  617    H    ILE  82           H        ILE  82  -2.786  -7.218   0.409
  618    HA   ILE  82           HA       ILE  82  -1.844  -4.508   1.208
  619    HB   ILE  82           HB       ILE  82  -2.190  -5.822  -1.487
  620   HG12  ILE  82          HG12      ILE  82   0.247  -4.545  -0.197
  621   HG13  ILE  82          HG11      ILE  82  -0.157  -6.241   0.111
  622   HG21  ILE  82          HG21      ILE  82  -1.383  -2.955  -0.842
  623   HG22  ILE  82          HG22      ILE  82  -1.398  -3.693  -2.461
  624   HG23  ILE  82          HG23      ILE  82  -2.920  -3.435  -1.594
  625   HD11  ILE  82          HD11      ILE  82   0.309  -5.067  -2.637
  626   HD12  ILE  82          HD12      ILE  82   1.477  -6.030  -1.693
  627   HD13  ILE  82          HD13      ILE  82  -0.045  -6.775  -2.230
  628    H    ASN  83           H        ASN  83  -3.256  -2.770   1.113
  629    HA   ASN  83           HA       ASN  83  -6.048  -3.217   0.324
  630    HB2  ASN  83           HB2      ASN  83  -5.606  -4.267   2.636
  631    HB3  ASN  83           HB3      ASN  83  -5.387  -2.614   3.228
  632   HD21  ASN  83          HD21      ASN  83  -7.263  -1.098   2.919
  633   HD22  ASN  83          HD22      ASN  83  -8.875  -1.776   2.910
  634    H    LEU  84           H        LEU  84  -7.310  -1.236   0.380
  635    HA   LEU  84           HA       LEU  84  -5.975   1.201  -0.099
  636    HB2  LEU  84           HB2      LEU  84  -8.367   0.312  -0.614
  637    HB3  LEU  84           HB3      LEU  84  -8.790   0.850   1.009
  638    HG   LEU  84           HG       LEU  84  -9.447   2.408  -0.749
  639   HD11  LEU  84          HD11      LEU  84  -7.217   3.670   0.881
  640   HD12  LEU  84          HD12      LEU  84  -8.640   4.462   0.183
  641   HD13  LEU  84          HD13      LEU  84  -8.856   3.293   1.503
  642   HD21  LEU  84          HD21      LEU  84  -7.582   1.889  -2.326
  643   HD22  LEU  84          HD22      LEU  84  -7.864   3.626  -2.094
  644   HD23  LEU  84          HD23      LEU  84  -6.484   2.837  -1.299
  645    H    ALA  85           H        ALA  85  -5.210   2.782   1.326
  646    HA   ALA  85           HA       ALA  85  -4.657   1.950   3.975
  647    HB1  ALA  85           HB1      ALA  85  -4.403   4.703   2.712
  648    HB2  ALA  85           HB2      ALA  85  -3.573   4.139   4.180
  649    HB3  ALA  85           HB3      ALA  85  -3.196   3.394   2.615
  650    H    ALA  86           H        ALA  86  -7.663   2.999   3.005
  651    HA   ALA  86           HA       ALA  86  -8.189   4.120   5.709
  652    HB1  ALA  86           HB1      ALA  86  -9.592   5.869   4.726
  653    HB2  ALA  86           HB2      ALA  86  -7.951   5.961   4.042
  654    HB3  ALA  86           HB3      ALA  86  -9.261   5.236   3.092
  655    H    GLU  87           H        GLU  87  -8.845   1.606   3.715
  656    HA   GLU  87           HA       GLU  87 -11.519   1.230   4.944
  657    HB2  GLU  87           HB2      GLU  87 -10.907   0.892   1.978
  658    HB3  GLU  87           HB3      GLU  87 -12.394   0.362   2.796
  659    HG2  GLU  87           HG2      GLU  87 -12.787   2.723   3.511
  660    HG3  GLU  87           HG3      GLU  87 -11.407   3.223   2.512
  661    HA   PRO  88           HA       PRO  88  -8.430  -2.330   5.145
  662    HB2  PRO  88           HB2      PRO  88  -8.802  -2.853   7.844
  663    HB3  PRO  88           HB3      PRO  88  -7.591  -1.730   7.175
  664    HG2  PRO  88           HG2      PRO  88 -10.343  -1.051   8.238
  665    HG3  PRO  88           HG3      PRO  88  -8.776  -0.248   8.611
  666    HD2  PRO  88           HD2      PRO  88 -10.457   0.792   6.770
  667    HD3  PRO  88           HD3      PRO  88  -8.691   0.767   6.466
  668    H    LYS  89           H        LYS  89  -9.071  -4.396   4.808
  669    HA   LYS  89           HA       LYS  89 -11.599  -4.857   3.842
  670    HB2  LYS  89           HB2      LYS  89 -10.936  -7.356   4.227
  671    HB3  LYS  89           HB3      LYS  89 -10.051  -6.338   3.074
  672    HG2  LYS  89           HG2      LYS  89  -8.231  -5.991   4.634
  673    HG3  LYS  89           HG3      LYS  89  -9.127  -6.777   5.942
  674    HD2  LYS  89           HD2      LYS  89  -7.463  -8.312   5.050
  675    HD3  LYS  89           HD3      LYS  89  -9.095  -8.909   4.719
  676    HE2  LYS  89           HE2      LYS  89  -7.754  -9.239   2.738
  677    HE3  LYS  89           HE3      LYS  89  -8.933  -7.963   2.399
  678    HZ1  LYS  89           HZ1      LYS  89  -6.757  -7.391   1.608
  679    HZ2  LYS  89           HZ2      LYS  89  -7.182  -6.352   2.804
  680    HZ3  LYS  89           HZ3      LYS  89  -6.095  -7.559   3.096
  681    H    VAL  90           H        VAL  90 -10.501  -6.446   6.896
  682    HA   VAL  90           HA       VAL  90 -13.168  -5.944   8.083
  683    HB   VAL  90           HB       VAL  90 -11.921  -8.688   7.659
  684   HG11  VAL  90          HG11      VAL  90 -14.245  -7.867   9.449
  685   HG12  VAL  90          HG12      VAL  90 -13.780  -9.541   9.071
  686   HG13  VAL  90          HG13      VAL  90 -12.672  -8.498   9.985
  687   HG21  VAL  90          HG21      VAL  90 -14.645  -7.532   6.927
  688   HG22  VAL  90          HG22      VAL  90 -13.337  -7.959   5.796
  689   HG23  VAL  90          HG23      VAL  90 -14.166  -9.230   6.719
  690    H    ASN  91           H        ASN  91  -9.877  -7.309   8.341
  691    HA   ASN  91           HA       ASN  91  -9.607  -6.168  11.037
  692    HB2  ASN  91           HB2      ASN  91  -8.693  -8.284  11.898
  693    HB3  ASN  91           HB3      ASN  91 -10.376  -8.468  11.390
  694   HD21  ASN  91          HD21      ASN  91 -10.873  -9.683   9.481
  695   HD22  ASN  91          HD22      ASN  91  -9.694 -10.771   8.771
  696    H    ARG  92           H        ARG  92  -7.238  -6.095  11.643
  697    HA   ARG  92           HA       ARG  92  -5.655  -5.452   9.273
  698    HB2  ARG  92           HB2      ARG  92  -5.755  -4.130  11.447
  699    HB3  ARG  92           HB3      ARG  92  -4.782  -5.432  12.176
  700    HG2  ARG  92           HG2      ARG  92  -3.112  -5.118  10.312
  701    HG3  ARG  92           HG3      ARG  92  -4.053  -3.724   9.753
  702    HD2  ARG  92           HD2      ARG  92  -2.715  -4.040  12.469
  703    HD3  ARG  92           HD3      ARG  92  -2.144  -3.022  11.134
  704    HE   ARG  92           HE       ARG  92  -4.816  -2.274  11.823
  705   HH11  ARG  92          HH11      ARG  92  -1.500  -2.130  13.024
  706   HH12  ARG  92          HH12      ARG  92  -1.778  -0.701  13.992
  707   HH21  ARG  92          HH21      ARG  92  -5.161  -0.396  13.092
  708   HH22  ARG  92          HH22      ARG  92  -3.844   0.296  14.006
  709    H    GLY  93           H        GLY  93  -6.083  -8.172  11.351
  710    HA2  GLY  93           HA2      GLY  93  -5.389 -10.348  10.890
  711    HA3  GLY  93           HA3      GLY  93  -4.273  -9.710   9.666
  712    H    LYS  94           H        LYS  94  -2.525  -8.188  10.809
  713    HA   LYS  94           HA       LYS  94  -0.571  -8.153  11.909
  714    HB2  LYS  94           HB2      LYS  94  -2.212  -9.260  14.192
  715    HB3  LYS  94           HB3      LYS  94  -0.608  -8.515  14.320
  716    HG2  LYS  94           HG2      LYS  94  -1.553  -6.461  13.176
  717    HG3  LYS  94           HG3      LYS  94  -3.172  -7.169  13.357
  718    HD2  LYS  94           HD2      LYS  94  -1.219  -6.554  15.603
  719    HD3  LYS  94           HD3      LYS  94  -2.647  -5.583  15.183
  720    HE2  LYS  94           HE2      LYS  94  -4.106  -7.530  15.665
  721    HE3  LYS  94           HE3      LYS  94  -2.682  -8.481  16.126
  722    HZ1  LYS  94           HZ1      LYS  94  -3.585  -6.009  17.447
  723    HZ2  LYS  94           HZ2      LYS  94  -3.779  -7.529  18.034
  724    HZ3  LYS  94           HZ3      LYS  94  -2.269  -6.898  17.880
  725    H    ALA  95           H        ALA  95  -1.801 -11.128  11.068
  726    HA   ALA  95           HA       ALA  95   0.805 -12.400  11.572
  727    HB1  ALA  95           HB1      ALA  95  -1.812 -13.578  12.588
  728    HB2  ALA  95           HB2      ALA  95  -0.203 -14.338  12.686
  729    HB3  ALA  95           HB3      ALA  95  -0.554 -12.850  13.606
  730    H    GLY  96           H        GLY  96   1.228 -14.126  10.153
  731    HA2  GLY  96           HA2      GLY  96  -0.302 -14.041   7.669
  732    HA3  GLY  96           HA3      GLY  96   1.184 -14.956   7.991
  733    H    VAL  97           H        VAL  97  -0.567 -15.868  10.543
  734    HA   VAL  97           HA       VAL  97  -1.805 -18.145   9.098
  735    HB   VAL  97           HB       VAL  97  -0.043 -18.707  10.708
  736   HG11  VAL  97          HG11      VAL  97  -0.398 -18.414  13.119
  737   HG12  VAL  97          HG12      VAL  97  -0.344 -16.835  12.308
  738   HG13  VAL  97          HG13      VAL  97  -1.902 -17.525  12.815
  739   HG21  VAL  97          HG21      VAL  97  -1.271 -20.414  11.922
  740   HG22  VAL  97          HG22      VAL  97  -2.801 -19.543  11.689
  741   HG23  VAL  97          HG23      VAL  97  -1.951 -20.251  10.291
  742    H    LYS  98           H        LYS  98  -3.937 -18.645   9.327
  743    HA   LYS  98           HA       LYS  98  -5.589 -16.594  10.725
  744    HB2  LYS  98           HB2      LYS  98  -6.314 -18.126   8.204
  745    HB3  LYS  98           HB3      LYS  98  -7.203 -16.783   8.934
  746    HG2  LYS  98           HG2      LYS  98  -4.428 -16.630   7.678
  747    HG3  LYS  98           HG3      LYS  98  -5.936 -16.066   6.948
  748    HD2  LYS  98           HD2      LYS  98  -6.219 -14.394   8.722
  749    HD3  LYS  98           HD3      LYS  98  -4.743 -14.969   9.534
  750    HE2  LYS  98           HE2      LYS  98  -3.423 -14.428   7.511
  751    HE3  LYS  98           HE3      LYS  98  -4.884 -13.812   6.720
  752    HZ1  LYS  98           HZ1      LYS  98  -3.620 -12.037   7.703
  753    HZ2  LYS  98           HZ2      LYS  98  -5.050 -12.185   8.507
  754    HZ3  LYS  98           HZ3      LYS  98  -3.650 -12.746   9.172
  755    H    ARG  99           H        ARG  99  -4.550 -19.433  11.426
  756    HA   ARG  99           HA       ARG  99  -7.163 -20.492  12.399
  757    HB2  ARG  99           HB2      ARG  99  -5.014 -21.912  10.838
  758    HB3  ARG  99           HB3      ARG  99  -6.031 -22.797  11.997
  759    HG2  ARG  99           HG2      ARG  99  -8.063 -21.923  10.949
  760    HG3  ARG  99           HG3      ARG  99  -7.074 -21.040   9.749
  761    HD2  ARG  99           HD2      ARG  99  -6.044 -23.240   9.116
  762    HD3  ARG  99           HD3      ARG  99  -7.233 -24.046  10.156
  763    HE   ARG  99           HE       ARG  99  -7.704 -22.716   7.551
  764   HH11  ARG  99          HH11      ARG  99  -9.197 -24.245  10.397
  765   HH12  ARG  99          HH12      ARG  99 -10.735 -24.447   9.598
  766   HH21  ARG  99          HH21      ARG  99  -9.714 -23.025   6.569
  767   HH22  ARG  99          HH22      ARG  99 -11.022 -23.776   7.450
  768    H    SER 100           H        SER 100  -6.691 -22.311  14.039
  769    HA   SER 100           HA       SER 100  -5.332 -21.118  16.237
  770    HB2  SER 100           HB2      SER 100  -6.631 -23.787  15.659
  771    HB3  SER 100           HB3      SER 100  -5.900 -23.452  17.239
  772    HG   SER 100           HG       SER 100  -7.301 -21.663  17.425
  773    H    ALA 101           H        ALA 101  -4.100 -22.913  13.623
  774    HA   ALA 101           HA       ALA 101  -2.245 -24.108  13.206
  775    HB1  ALA 101           HB1      ALA 101  -1.063 -22.454  15.464
  776    HB2  ALA 101           HB2      ALA 101  -0.164 -23.286  14.184
  777    HB3  ALA 101           HB3      ALA 101  -1.242 -21.935  13.771
  778    H    ALA 102           H        ALA 102  -4.084 -24.959  15.624
  779    HA   ALA 102           HA       ALA 102  -2.465 -27.341  16.234
  780    HB1  ALA 102           HB1      ALA 102  -3.726 -25.573  18.367
  781    HB2  ALA 102           HB2      ALA 102  -2.945 -27.143  18.652
  782    HB3  ALA 102           HB3      ALA 102  -1.981 -25.767  18.060
  783    H    GLU 103           H        GLU 103  -5.209 -26.158  14.974
  784    HA   GLU 103           HA       GLU 103  -7.192 -27.756  16.383
  785    HB2  GLU 103           HB2      GLU 103  -8.729 -26.815  14.698
  786    HB3  GLU 103           HB3      GLU 103  -7.771 -25.569  15.513
  787    HG2  GLU 103           HG2      GLU 103  -6.197 -25.549  13.558
  788    HG3  GLU 103           HG3      GLU 103  -7.235 -26.727  12.748
  789    H    MET 104           H        MET 104  -4.810 -28.565  14.228
  790    HA   MET 104           HA       MET 104  -6.448 -30.656  12.881
  791    HB2  MET 104           HB2      MET 104  -3.794 -29.413  12.082
  792    HB3  MET 104           HB3      MET 104  -4.625 -30.704  11.198
  793    HG2  MET 104           HG2      MET 104  -6.577 -29.242  10.865
  794    HG3  MET 104           HG3      MET 104  -5.777 -27.936  11.746
  795    HE1  MET 104           HE1      MET 104  -3.801 -26.545  10.932
  796    HE2  MET 104           HE2      MET 104  -2.786 -27.996  10.737
  797    HE3  MET 104           HE3      MET 104  -2.910 -26.815   9.417
  798    H    TYR 105           H        TYR 105  -4.779 -30.442  15.623
  799    HA   TYR 105           HA       TYR 105  -3.601 -33.153  15.301
  800    HB2  TYR 105           HB2      TYR 105  -2.328 -30.902  16.873
  801    HB3  TYR 105           HB3      TYR 105  -1.658 -32.504  16.564
  802    HD1  TYR 105           HD1      TYR 105  -0.870 -33.104  14.261
  803    HD2  TYR 105           HD2      TYR 105  -2.153 -29.139  15.294
  804    HE1  TYR 105           HE1      TYR 105   0.237 -32.222  12.219
  805    HE2  TYR 105           HE2      TYR 105  -1.044 -28.235  13.257
  806    HH   TYR 105           HH       TYR 105   0.706 -30.366  10.963
  807    H    GLY 106           H        GLY 106  -5.984 -31.472  16.727
  808    HA2  GLY 106           HA2      GLY 106  -5.743 -32.108  19.511
  809    HA3  GLY 106           HA3      GLY 106  -7.228 -31.686  18.650
  810    H5'    U   1           H5'        U   1   3.778  -6.521  11.354
  811   H5''    U   1          H5''        U   1   2.472  -7.557  10.752
  812    H4'    U   1           H4'        U   1   3.368  -4.918   9.493
  813    H3'    U   1           H3'        U   1   2.031  -5.106  11.834
  814    H2'    U   1           H2'        U   1   0.539  -6.789  11.065
  815   HO2'    U   1          HO2'        U   1  -0.557  -4.608  11.738
  816    H1'    U   1           H1'        U   1  -0.035  -5.116   8.619
  817    H3     U   1           H3         U   1  -2.804  -8.182   6.812
  818    H5     U   1           H5         U   1  -0.261 -10.520   9.195
  819    H6     U   1           H6         U   1   0.952  -8.507   9.776
  820    H5'    U   2           H5'        U   2   1.470  -0.833   9.315
  821   H5''    U   2          H5''        U   2   1.923  -0.112  10.871
  822    H4'    U   2           H4'        U   2   0.958   1.645   9.650
  823    H3'    U   2           H3'        U   2  -0.378   0.696  12.029
  824    H2'    U   2           H2'        U   2  -2.298   0.084  10.822
  825   HO2'    U   2          HO2'        U   2  -3.786   1.837  10.905
  826    H1'    U   2           H1'        U   2  -1.641   2.429   9.017
  827    H3     U   2           H3         U   2  -5.029   2.143   6.126
  828    H5     U   2           H5         U   2  -4.994  -1.695   7.840
  829    H6     U   2           H6         U   2  -3.100  -1.029   9.175
  830    H5'    U   3           H5'        U   3   2.763   2.113  10.430
  831   H5''    U   3          H5''        U   3   3.658   2.726  11.829
  832    H4'    U   3           H4'        U   3   4.951   3.327   9.945
  833    H3'    U   3           H3'        U   3   4.045   5.286  11.634
  834    H2'    U   3           H2'        U   3   2.209   5.999  10.316
  835   HO2'    U   3          HO2'        U   3   4.071   7.676  10.340
  836    H1'    U   3           H1'        U   3   3.789   5.712   7.768
  837    H3     U   3           H3         U   3   0.163   6.496   5.253
  838    H5     U   3           H5         U   3  -1.449   4.541   8.615
  839    H6     U   3           H6         U   3   0.789   4.406   9.529
  840    H5'    U   4           H5'        U   4   8.059   4.915   9.879
  841   H5''    U   4          H5''        U   4   9.079   5.580  11.158
  842    H4'    U   4           H4'        U   4  10.299   5.239   9.021
  843    H3'    U   4           H3'        U   4  10.544   7.415  10.700
  844    H2'    U   4           H2'        U   4   9.063   8.829   9.532
  845   HO2'    U   4          HO2'        U   4  10.367  10.215   8.181
  846    H1'    U   4           H1'        U   4  10.106   7.902   6.861
  847    H3     U   4           H3         U   4   7.281  11.269   5.591
  848    H5     U   4           H5         U   4   4.795   8.425   7.436
  849    H6     U   4           H6         U   4   6.772   7.222   8.121
  850    H5'    C   5           H5'        C   5  13.538   8.853  10.639
  851   H5''    C   5          H5''        C   5  14.990   7.889  10.988
  852    H4'    C   5           H4'        C   5  13.001   8.828  13.103
  853    H3'    C   5           H3'        C   5  15.661   9.971  12.188
  854    H2'    C   5           H2'        C   5  15.972  10.703  14.429
  855   HO2'    C   5          HO2'        C   5  14.225  10.815  15.888
  856    H1'    C   5           H1'        C   5  14.590   8.490  15.551
  857    H41    C   5           H41        C   5  21.125   7.348  15.196
  858    H42    C   5           H42        C   5  20.764   7.467  16.909
  859    H5     C   5           H5         C   5  18.527   7.985  17.751
  860    H6     C   5           H6         C   5  16.248   8.487  17.106
  Start of MODEL   15
    1    H1   ALA   2           H1       ALA   2  11.525   8.487  -4.245
    2    H2   ALA   2           H2       ALA   2  10.496   7.817  -3.137
    3    H3   ALA   2           H3       ALA   2  10.605   7.177  -4.661
    4    HA   ALA   2           HA       ALA   2   9.714   9.146  -5.626
    5    HB1  ALA   2           HB1      ALA   2   7.409   8.913  -4.846
    6    HB2  ALA   2           HB2      ALA   2   8.180   7.328  -5.061
    7    HB3  ALA   2           HB3      ALA   2   7.971   7.990  -3.427
    8    H    SER   3           H        SER   3   8.928   9.370  -2.088
    9    HA   SER   3           HA       SER   3   9.988  12.134  -2.090
   10    HB2  SER   3           HB2      SER   3   7.928  13.088  -1.272
   11    HB3  SER   3           HB3      SER   3   7.550  12.223  -2.778
   12    HG   SER   3           HG       SER   3   6.075  11.717  -1.106
   13    H    ASN   4           H        ASN   4   9.611   9.150  -0.583
   14    HA   ASN   4           HA       ASN   4   9.891   8.324   1.470
   15    HB2  ASN   4           HB2      ASN   4  12.046   9.608   1.163
   16    HB3  ASN   4           HB3      ASN   4  11.341  10.899   2.150
   17   HD21  ASN   4          HD21      ASN   4  12.935  10.651   3.781
   18   HD22  ASN   4          HD22      ASN   4  12.926   9.281   4.870
   19    H    VAL   5           H        VAL   5   7.535  10.256   0.907
   20    HA   VAL   5           HA       VAL   5   6.708  10.480   3.759
   21    HB   VAL   5           HB       VAL   5   6.299  12.540   1.557
   22   HG11  VAL   5          HG11      VAL   5   5.324  12.536   4.450
   23   HG12  VAL   5          HG12      VAL   5   5.160  13.873   3.296
   24   HG13  VAL   5          HG13      VAL   5   4.294  12.356   3.010
   25   HG21  VAL   5          HG21      VAL   5   8.547  12.584   2.595
   26   HG22  VAL   5          HG22      VAL   5   7.594  14.003   3.075
   27   HG23  VAL   5          HG23      VAL   5   7.803  12.644   4.211
   28    H    THR   6           H        THR   6   4.698   9.743   4.208
   29    HA   THR   6           HA       THR   6   2.835   9.154   2.001
   30    HB   THR   6           HB       THR   6   2.608   6.787   2.691
   31    HG1  THR   6           HG1      THR   6   3.400   6.910   4.788
   32   HG21  THR   6          HG21      THR   6   5.508   7.442   2.039
   33   HG22  THR   6          HG22      THR   6   4.648   5.926   1.708
   34   HG23  THR   6          HG23      THR   6   4.175   7.403   0.842
   35    H    ASN   7           H        ASN   7   3.274  10.434   5.059
   36    HA   ASN   7           HA       ASN   7   0.748   9.296   6.108
   37    HB2  ASN   7           HB2      ASN   7   2.790   9.200   7.497
   38    HB3  ASN   7           HB3      ASN   7   2.870  10.966   7.492
   39   HD21  ASN   7          HD21      ASN   7   2.833   9.928   9.895
   40   HD22  ASN   7          HD22      ASN   7   1.267  10.046  10.662
   41    H    LYS   8           H        LYS   8  -0.876  10.343   5.113
   42    HA   LYS   8           HA       LYS   8  -1.289  13.179   5.834
   43    HB2  LYS   8           HB2      LYS   8  -1.430  12.063   3.002
   44    HB3  LYS   8           HB3      LYS   8  -2.201  13.575   3.513
   45    HG2  LYS   8           HG2      LYS   8   0.037  14.395   4.300
   46    HG3  LYS   8           HG3      LYS   8   0.783  12.956   3.574
   47    HD2  LYS   8           HD2      LYS   8  -0.953  14.951   2.068
   48    HD3  LYS   8           HD3      LYS   8   0.822  15.018   2.119
   49    HE2  LYS   8           HE2      LYS   8   1.010  12.862   1.034
   50    HE3  LYS   8           HE3      LYS   8  -0.734  12.594   1.137
   51    HZ1  LYS   8           HZ1      LYS   8  -1.076  14.421  -0.341
   52    HZ2  LYS   8           HZ2      LYS   8   0.534  14.751  -0.415
   53    HZ3  LYS   8           HZ3      LYS   8  -0.051  13.352  -1.048
   54    H    THR   9           H        THR   9  -3.538  13.745   5.903
   55    HA   THR   9           HA       THR   9  -5.364  11.385   5.895
   56    HB   THR   9           HB       THR   9  -6.459  12.350   7.892
   57    HG1  THR   9           HG1      THR   9  -5.750  14.490   7.712
   58   HG21  THR   9          HG21      THR   9  -4.744  11.657   9.489
   59   HG22  THR   9          HG22      THR   9  -4.748  10.573   8.086
   60   HG23  THR   9          HG23      THR   9  -3.481  11.812   8.247
   61    H    ASP  10           H        ASP  10  -4.771  13.816   4.031
   62    HA   ASP  10           HA       ASP  10  -7.215  15.342   4.006
   63    HB2  ASP  10           HB2      ASP  10  -5.140  14.834   1.835
   64    HB3  ASP  10           HB3      ASP  10  -6.391  16.084   1.784
   65    HA   PRO  11           HA       PRO  11 -10.347  13.036   2.354
   66    HB2  PRO  11           HB2      PRO  11 -10.333  14.888  -0.030
   67    HB3  PRO  11           HB3      PRO  11 -11.741  14.333   0.957
   68    HG2  PRO  11           HG2      PRO  11 -10.736  16.788   1.400
   69    HG3  PRO  11           HG3      PRO  11 -11.090  15.713   2.799
   70    HD2  PRO  11           HD2      PRO  11  -8.437  16.265   1.471
   71    HD3  PRO  11           HD3      PRO  11  -8.831  16.162   3.218
   72    H    ARG  12           H        ARG  12  -7.871  13.891  -0.051
   73    HA   ARG  12           HA       ARG  12  -8.588  11.489  -1.687
   74    HB2  ARG  12           HB2      ARG  12  -8.896  13.425  -2.942
   75    HB3  ARG  12           HB3      ARG  12  -7.411  14.184  -2.323
   76    HG2  ARG  12           HG2      ARG  12  -6.011  12.714  -3.518
   77    HG3  ARG  12           HG3      ARG  12  -7.366  11.634  -3.982
   78    HD2  ARG  12           HD2      ARG  12  -8.360  13.315  -5.329
   79    HD3  ARG  12           HD3      ARG  12  -7.250  14.565  -4.715
   80    HE   ARG  12           HE       ARG  12  -5.656  12.570  -5.925
   81   HH11  ARG  12          HH11      ARG  12  -8.149  14.874  -6.905
   82   HH12  ARG  12          HH12      ARG  12  -7.508  15.064  -8.523
   83   HH21  ARG  12          HH21      ARG  12  -4.827  12.856  -8.019
   84   HH22  ARG  12          HH22      ARG  12  -5.648  13.896  -9.166
   85    H    SER  13           H        SER  13  -5.924  13.194  -0.007
   86    HA   SER  13           HA       SER  13  -3.848  11.529  -1.055
   87    HB2  SER  13           HB2      SER  13  -4.024  13.096   1.547
   88    HB3  SER  13           HB3      SER  13  -2.560  12.310   0.930
   89    HG   SER  13           HG       SER  13  -4.055  14.339  -0.383
   90    H    MET  14           H        MET  14  -6.194  10.987   1.571
   91    HA   MET  14           HA       MET  14  -4.660   8.696   2.580
   92    HB2  MET  14           HB2      MET  14  -5.770   9.857   4.271
   93    HB3  MET  14           HB3      MET  14  -7.227  10.117   3.299
   94    HG2  MET  14           HG2      MET  14  -7.902   7.863   3.494
   95    HG3  MET  14           HG3      MET  14  -6.345   7.367   4.187
   96    HE1  MET  14           HE1      MET  14  -5.449   8.544   6.492
   97    HE2  MET  14           HE2      MET  14  -6.489   7.967   7.819
   98    HE3  MET  14           HE3      MET  14  -6.031   6.864   6.492
   99    H    ASN  15           H        ASN  15  -7.125   9.259   0.135
  100    HA   ASN  15           HA       ASN  15  -7.731   6.355   0.102
  101    HB2  ASN  15           HB2      ASN  15  -9.025   8.744  -1.248
  102    HB3  ASN  15           HB3      ASN  15  -9.469   7.059  -1.580
  103   HD21  ASN  15          HD21      ASN  15  -9.685   9.693   0.746
  104   HD22  ASN  15          HD22      ASN  15 -10.697   8.847   1.892
  105    H    SER  16           H        SER  16  -5.712   8.684  -1.452
  106    HA   SER  16           HA       SER  16  -5.246   6.935  -3.773
  107    HB2  SER  16           HB2      SER  16  -3.823   9.491  -2.966
  108    HB3  SER  16           HB3      SER  16  -3.780   8.674  -4.549
  109    HG   SER  16           HG       SER  16  -6.002   9.884  -3.272
  110    H    ARG  17           H        ARG  17  -4.462   6.649  -0.627
  111    HA   ARG  17           HA       ARG  17  -1.629   5.854  -1.061
  112    HB2  ARG  17           HB2      ARG  17  -2.203   7.405   0.810
  113    HB3  ARG  17           HB3      ARG  17  -3.186   6.109   1.533
  114    HG2  ARG  17           HG2      ARG  17  -1.275   4.702   1.852
  115    HG3  ARG  17           HG3      ARG  17  -0.272   5.706   0.783
  116    HD2  ARG  17           HD2      ARG  17   0.293   6.064   3.137
  117    HD3  ARG  17           HD3      ARG  17  -0.275   7.528   2.325
  118    HE   ARG  17           HE       ARG  17  -1.818   5.904   4.313
  119   HH11  ARG  17          HH11      ARG  17  -1.393   8.894   2.464
  120   HH12  ARG  17          HH12      ARG  17  -2.540   9.788   3.445
  121   HH21  ARG  17          HH21      ARG  17  -3.261   7.118   5.580
  122   HH22  ARG  17          HH22      ARG  17  -3.586   8.797   5.184
  123    H    VAL  18           H        VAL  18  -0.918   3.770  -0.423
  124    HA   VAL  18           HA       VAL  18  -3.058   1.747   0.030
  125    HB   VAL  18           HB       VAL  18  -0.672   1.479  -1.837
  126   HG11  VAL  18          HG11      VAL  18  -1.694  -0.743  -2.333
  127   HG12  VAL  18          HG12      VAL  18  -1.098  -0.622  -0.666
  128   HG13  VAL  18          HG13      VAL  18  -2.842  -0.483  -0.996
  129   HG21  VAL  18          HG21      VAL  18  -2.474   2.786  -2.836
  130   HG22  VAL  18          HG22      VAL  18  -2.522   1.137  -3.513
  131   HG23  VAL  18          HG23      VAL  18  -3.686   1.617  -2.267
  132    H    PHE  19           H        PHE  19  -2.728   0.450   1.670
  133    HA   PHE  19           HA       PHE  19  -0.177   0.556   3.167
  134    HB2  PHE  19           HB2      PHE  19  -2.081   0.944   4.514
  135    HB3  PHE  19           HB3      PHE  19  -3.006  -0.317   3.713
  136    HD1  PHE  19           HD1      PHE  19   0.014   0.108   5.920
  137    HD2  PHE  19           HD2      PHE  19  -3.206  -2.414   4.605
  138    HE1  PHE  19           HE1      PHE  19   0.557  -1.533   7.710
  139    HE2  PHE  19           HE2      PHE  19  -2.679  -4.038   6.399
  140    HZ   PHE  19           HZ       PHE  19  -0.814  -3.591   7.965
  141    H    ILE  20           H        ILE  20   1.183  -1.153   3.327
  142    HA   ILE  20           HA       ILE  20   0.424  -3.684   1.939
  143    HB   ILE  20           HB       ILE  20   3.090  -2.233   1.993
  144   HG12  ILE  20          HG12      ILE  20   1.409  -2.830  -0.469
  145   HG13  ILE  20          HG11      ILE  20   1.220  -1.334   0.460
  146   HG21  ILE  20          HG21      ILE  20   3.889  -4.017   0.457
  147   HG22  ILE  20          HG22      ILE  20   3.376  -4.709   2.000
  148   HG23  ILE  20          HG23      ILE  20   2.323  -4.837   0.580
  149   HD11  ILE  20          HD11      ILE  20   3.809  -2.301  -0.824
  150   HD12  ILE  20          HD12      ILE  20   2.757  -0.991  -1.406
  151   HD13  ILE  20          HD13      ILE  20   3.618  -0.821   0.142
  152    H    GLY  21           H        GLY  21  -0.268  -4.517   3.942
  153    HA2  GLY  21           HA2      GLY  21   1.619  -4.722   6.177
  154    HA3  GLY  21           HA3      GLY  21  -0.013  -5.393   6.083
  155    H    ASN  22           H        ASN  22   1.819  -6.993   7.176
  156    HA   ASN  22           HA       ASN  22   2.899  -8.964   7.062
  157    HB2  ASN  22           HB2      ASN  22   0.462  -9.431   6.387
  158    HB3  ASN  22           HB3      ASN  22   1.065  -9.628   4.744
  159   HD21  ASN  22          HD21      ASN  22   2.059 -11.573   4.182
  160   HD22  ASN  22          HD22      ASN  22   2.279 -12.901   5.290
  161    H    LEU  23           H        LEU  23   4.339  -6.979   5.784
  162    HA   LEU  23           HA       LEU  23   5.366  -8.154   3.276
  163    HB2  LEU  23           HB2      LEU  23   4.799  -5.754   3.393
  164    HB3  LEU  23           HB3      LEU  23   5.939  -5.545   4.727
  165    HG   LEU  23           HG       LEU  23   7.816  -6.127   3.231
  166   HD11  LEU  23          HD11      LEU  23   5.676  -6.288   1.075
  167   HD12  LEU  23          HD12      LEU  23   7.428  -6.260   0.782
  168   HD13  LEU  23          HD13      LEU  23   6.695  -7.632   1.644
  169   HD21  LEU  23          HD21      LEU  23   7.015  -3.782   3.467
  170   HD22  LEU  23          HD22      LEU  23   7.740  -4.094   1.869
  171   HD23  LEU  23          HD23      LEU  23   5.974  -4.011   2.047
  172    H    ASN  24           H        ASN  24   7.542  -8.893   3.058
  173    HA   ASN  24           HA       ASN  24   8.595 -10.083   5.444
  174    HB2  ASN  24           HB2      ASN  24   8.829 -10.954   3.055
  175    HB3  ASN  24           HB3      ASN  24   9.998  -9.668   2.776
  176   HD21  ASN  24          HD21      ASN  24  11.900 -10.822   2.571
  177   HD22  ASN  24          HD22      ASN  24  12.535 -11.863   3.830
  178    H    THR  25           H        THR  25   9.404  -7.208   3.593
  179    HA   THR  25           HA       THR  25  10.832  -5.512   3.825
  180    HB   THR  25           HB       THR  25  10.847  -4.359   5.930
  181    HG1  THR  25           HG1      THR  25  11.106  -6.178   7.311
  182   HG21  THR  25          HG21      THR  25   8.398  -4.207   6.242
  183   HG22  THR  25          HG22      THR  25   8.831  -4.330   4.520
  184   HG23  THR  25          HG23      THR  25   8.193  -5.751   5.400
  185    H    LEU  26           H        LEU  26  12.014  -8.393   4.460
  186    HA   LEU  26           HA       LEU  26  14.642  -7.415   5.464
  187    HB2  LEU  26           HB2      LEU  26  13.147  -9.990   5.509
  188    HB3  LEU  26           HB3      LEU  26  14.893 -10.109   5.230
  189    HG   LEU  26           HG       LEU  26  15.357  -8.805   7.263
  190   HD11  LEU  26          HD11      LEU  26  12.353  -8.967   7.751
  191   HD12  LEU  26          HD12      LEU  26  13.568  -8.372   8.901
  192   HD13  LEU  26          HD13      LEU  26  13.274  -7.481   7.399
  193   HD21  LEU  26          HD21      LEU  26  15.244 -11.267   7.342
  194   HD22  LEU  26          HD22      LEU  26  14.690 -10.550   8.873
  195   HD23  LEU  26          HD23      LEU  26  13.505 -11.180   7.702
  196    H    VAL  27           H        VAL  27  12.974  -8.257   2.578
  197    HA   VAL  27           HA       VAL  27  15.580  -8.317   1.117
  198    HB   VAL  27           HB       VAL  27  13.079  -9.942   0.518
  199   HG11  VAL  27          HG11      VAL  27  15.769  -9.793  -0.913
  200   HG12  VAL  27          HG12      VAL  27  14.517 -11.014  -1.227
  201   HG13  VAL  27          HG13      VAL  27  14.186  -9.304  -1.573
  202   HG21  VAL  27          HG21      VAL  27  14.376 -10.849   2.409
  203   HG22  VAL  27          HG22      VAL  27  14.553 -11.881   0.979
  204   HG23  VAL  27          HG23      VAL  27  15.863 -10.770   1.442
  205    H    VAL  28           H        VAL  28  12.402  -6.972   1.505
  206    HA   VAL  28           HA       VAL  28  12.720  -5.443  -1.040
  207    HB   VAL  28           HB       VAL  28  10.235  -5.949   0.638
  208   HG11  VAL  28          HG11      VAL  28   9.038  -4.888  -1.241
  209   HG12  VAL  28          HG12      VAL  28  10.145  -3.746  -0.459
  210   HG13  VAL  28          HG13      VAL  28  10.595  -4.495  -2.010
  211   HG21  VAL  28          HG21      VAL  28  10.948  -7.942  -0.606
  212   HG22  VAL  28          HG22      VAL  28   9.528  -7.216  -1.395
  213   HG23  VAL  28          HG23      VAL  28  11.142  -6.971  -2.087
  214    H    LYS  29           H        LYS  29  12.688  -3.226  -1.026
  215    HA   LYS  29           HA       LYS  29  12.667  -1.850   1.614
  216    HB2  LYS  29           HB2      LYS  29  14.807  -1.524  -0.536
  217    HB3  LYS  29           HB3      LYS  29  14.638  -0.561   0.932
  218    HG2  LYS  29           HG2      LYS  29  16.238  -2.018   1.629
  219    HG3  LYS  29           HG3      LYS  29  14.799  -2.896   2.165
  220    HD2  LYS  29           HD2      LYS  29  14.916  -4.258   0.033
  221    HD3  LYS  29           HD3      LYS  29  16.388  -3.378  -0.408
  222    HE2  LYS  29           HE2      LYS  29  16.015  -5.056   2.108
  223    HE3  LYS  29           HE3      LYS  29  16.843  -5.591   0.639
  224    HZ1  LYS  29           HZ1      LYS  29  18.429  -3.825   0.951
  225    HZ2  LYS  29           HZ2      LYS  29  17.663  -3.323   2.322
  226    HZ3  LYS  29           HZ3      LYS  29  18.392  -4.796   2.274
  227    H    LYS  30           H        LYS  30  12.797   0.593   1.198
  228    HA   LYS  30           HA       LYS  30  10.488   1.357  -0.292
  229    HB2  LYS  30           HB2      LYS  30  11.149   3.640   0.414
  230    HB3  LYS  30           HB3      LYS  30  11.152   2.457   1.737
  231    HG2  LYS  30           HG2      LYS  30  13.745   2.229   0.963
  232    HG3  LYS  30           HG3      LYS  30  13.456   3.904   0.476
  233    HD2  LYS  30           HD2      LYS  30  12.898   2.669   3.207
  234    HD3  LYS  30           HD3      LYS  30  14.288   3.697   2.826
  235    HE2  LYS  30           HE2      LYS  30  11.360   4.548   2.681
  236    HE3  LYS  30           HE3      LYS  30  12.469   4.933   3.996
  237    HZ1  LYS  30           HZ1      LYS  30  13.846   6.113   2.414
  238    HZ2  LYS  30           HZ2      LYS  30  12.789   5.787   1.199
  239    HZ3  LYS  30           HZ3      LYS  30  12.327   6.732   2.469
  240    H    SER  31           H        SER  31  13.567   0.657  -1.425
  241    HA   SER  31           HA       SER  31  13.396   2.514  -3.736
  242    HB2  SER  31           HB2      SER  31  15.627   1.536  -4.271
  243    HB3  SER  31           HB3      SER  31  15.563   2.312  -2.663
  244    HG   SER  31           HG       SER  31  16.567   0.245  -2.623
  245    H    ASP  32           H        ASP  32  12.484  -0.632  -2.768
  246    HA   ASP  32           HA       ASP  32  12.411  -1.706  -5.535
  247    HB2  ASP  32           HB2      ASP  32  12.016  -2.904  -2.771
  248    HB3  ASP  32           HB3      ASP  32  11.763  -3.801  -4.266
  249    H    VAL  33           H        VAL  33  10.329  -0.737  -2.784
  250    HA   VAL  33           HA       VAL  33   7.877  -1.749  -3.853
  251    HB   VAL  33           HB       VAL  33   8.507   0.565  -1.979
  252   HG11  VAL  33          HG11      VAL  33   5.842  -0.794  -2.540
  253   HG12  VAL  33          HG12      VAL  33   6.156   0.416  -1.276
  254   HG13  VAL  33          HG13      VAL  33   6.270   0.874  -2.988
  255   HG21  VAL  33          HG21      VAL  33   9.164  -1.680  -1.148
  256   HG22  VAL  33          HG22      VAL  33   7.759  -1.064  -0.251
  257   HG23  VAL  33          HG23      VAL  33   7.535  -2.292  -1.515
  258    H    GLU  34           H        GLU  34   9.748   1.221  -4.464
  259    HA   GLU  34           HA       GLU  34   7.608   2.396  -6.042
  260    HB2  GLU  34           HB2      GLU  34   9.178   4.182  -6.494
  261    HB3  GLU  34           HB3      GLU  34   9.121   3.811  -4.761
  262    HG2  GLU  34           HG2      GLU  34  11.201   2.502  -4.953
  263    HG3  GLU  34           HG3      GLU  34  11.251   2.799  -6.698
  264    H    ALA  35           H        ALA  35   9.291  -0.264  -6.700
  265    HA   ALA  35           HA       ALA  35   9.335   0.332  -9.621
  266    HB1  ALA  35           HB1      ALA  35  11.244  -1.214  -9.820
  267    HB2  ALA  35           HB2      ALA  35  11.626   0.146  -8.736
  268    HB3  ALA  35           HB3      ALA  35  11.239  -1.454  -8.055
  269    H    ILE  36           H        ILE  36   7.954  -1.449  -7.097
  270    HA   ILE  36           HA       ILE  36   7.117  -3.641  -8.944
  271    HB   ILE  36           HB       ILE  36   7.132  -3.432  -5.906
  272   HG12  ILE  36          HG12      ILE  36   8.711  -5.327  -7.690
  273   HG13  ILE  36          HG11      ILE  36   9.349  -3.758  -7.195
  274   HG21  ILE  36          HG21      ILE  36   5.217  -4.781  -6.649
  275   HG22  ILE  36          HG22      ILE  36   6.268  -5.726  -7.722
  276   HG23  ILE  36          HG23      ILE  36   6.448  -5.827  -5.951
  277   HD11  ILE  36          HD11      ILE  36  10.160  -5.468  -5.670
  278   HD12  ILE  36          HD12      ILE  36   9.051  -4.383  -4.807
  279   HD13  ILE  36          HD13      ILE  36   8.504  -6.001  -5.313
  280    H    PHE  37           H        PHE  37   6.026  -0.920  -6.978
  281    HA   PHE  37           HA       PHE  37   3.198  -1.616  -7.574
  282    HB2  PHE  37           HB2      PHE  37   4.525   0.229  -5.564
  283    HB3  PHE  37           HB3      PHE  37   2.793   0.243  -5.883
  284    HD1  PHE  37           HD1      PHE  37   5.583  -1.895  -4.671
  285    HD2  PHE  37           HD2      PHE  37   1.334  -1.354  -4.934
  286    HE1  PHE  37           HE1      PHE  37   5.245  -3.785  -3.088
  287    HE2  PHE  37           HE2      PHE  37   0.991  -3.231  -3.338
  288    HZ   PHE  37           HZ       PHE  37   2.954  -4.439  -2.415
  289    H    SER  38           H        SER  38   5.755   0.235  -8.798
  290    HA   SER  38           HA       SER  38   4.259   2.599  -9.543
  291    HB2  SER  38           HB2      SER  38   6.719   2.531  -9.209
  292    HB3  SER  38           HB3      SER  38   6.870   1.500 -10.650
  293    HG   SER  38           HG       SER  38   7.192   3.720 -11.111
  294    H    LYS  39           H        LYS  39   4.280  -0.619 -10.701
  295    HA   LYS  39           HA       LYS  39   3.721   0.034 -13.491
  296    HB2  LYS  39           HB2      LYS  39   3.556  -2.375 -13.752
  297    HB3  LYS  39           HB3      LYS  39   4.985  -1.967 -12.785
  298    HG2  LYS  39           HG2      LYS  39   3.446  -2.310 -10.716
  299    HG3  LYS  39           HG3      LYS  39   2.335  -3.117 -11.839
  300    HD2  LYS  39           HD2      LYS  39   5.254  -3.836 -11.375
  301    HD3  LYS  39           HD3      LYS  39   3.860  -4.718 -10.715
  302    HE2  LYS  39           HE2      LYS  39   3.071  -5.186 -13.021
  303    HE3  LYS  39           HE3      LYS  39   4.484  -4.344 -13.673
  304    HZ1  LYS  39           HZ1      LYS  39   4.832  -6.710 -13.594
  305    HZ2  LYS  39           HZ2      LYS  39   5.874  -5.971 -12.562
  306    HZ3  LYS  39           HZ3      LYS  39   4.551  -6.752 -11.974
  307    H    TYR  40           H        TYR  40   1.881  -0.009 -10.597
  308    HA   TYR  40           HA       TYR  40  -0.639  -0.484 -12.112
  309    HB2  TYR  40           HB2      TYR  40  -0.137  -0.367  -9.124
  310    HB3  TYR  40           HB3      TYR  40  -1.669  -0.762  -9.917
  311    HD1  TYR  40           HD1      TYR  40  -1.685  -2.806 -11.522
  312    HD2  TYR  40           HD2      TYR  40   1.405  -2.048  -8.626
  313    HE1  TYR  40           HE1      TYR  40  -0.964  -5.185 -11.673
  314    HE2  TYR  40           HE2      TYR  40   2.142  -4.414  -8.787
  315    HH   TYR  40           HH       TYR  40   1.735  -6.468  -9.708
  316    H    GLY  41           H        GLY  41   1.321   1.997 -10.664
  317    HA2  GLY  41           HA2      GLY  41  -0.295   4.020 -11.850
  318    HA3  GLY  41           HA3      GLY  41  -0.604   3.980 -10.105
  319    H    LYS  42           H        LYS  42   0.539   6.208 -11.437
  320    HA   LYS  42           HA       LYS  42   3.404   6.244 -11.126
  321    HB2  LYS  42           HB2      LYS  42   2.328   7.765 -12.649
  322    HB3  LYS  42           HB3      LYS  42   1.240   8.365 -11.385
  323    HG2  LYS  42           HG2      LYS  42   3.115   9.357 -10.175
  324    HG3  LYS  42           HG3      LYS  42   4.264   8.731 -11.390
  325    HD2  LYS  42           HD2      LYS  42   3.281  10.114 -13.123
  326    HD3  LYS  42           HD3      LYS  42   1.915  10.545 -12.078
  327    HE2  LYS  42           HE2      LYS  42   3.449  12.400 -12.093
  328    HE3  LYS  42           HE3      LYS  42   3.487  11.629 -10.495
  329    HZ1  LYS  42           HZ1      LYS  42   5.465  11.211 -12.639
  330    HZ2  LYS  42           HZ2      LYS  42   5.694  12.128 -11.297
  331    HZ3  LYS  42           HZ3      LYS  42   5.504  10.503 -11.154
  332    H    ILE  43           H        ILE  43   4.445   6.131  -9.255
  333    HA   ILE  43           HA       ILE  43   3.034   6.667  -6.746
  334    HB   ILE  43           HB       ILE  43   5.829   5.657  -7.375
  335   HG12  ILE  43          HG12      ILE  43   3.299   4.329  -6.316
  336   HG13  ILE  43          HG11      ILE  43   3.922   4.178  -7.970
  337   HG21  ILE  43          HG21      ILE  43   4.394   5.820  -4.688
  338   HG22  ILE  43          HG22      ILE  43   6.004   5.130  -4.981
  339   HG23  ILE  43          HG23      ILE  43   5.744   6.869  -5.183
  340   HD11  ILE  43          HD11      ILE  43   5.326   3.208  -5.444
  341   HD12  ILE  43          HD12      ILE  43   4.508   2.211  -6.655
  342   HD13  ILE  43          HD13      ILE  43   5.972   3.110  -7.108
  343    H    VAL  44           H        VAL  44   3.158   8.442  -5.546
  344    HA   VAL  44           HA       VAL  44   5.089  10.570  -6.339
  345    HB   VAL  44           HB       VAL  44   3.433  12.182  -5.533
  346   HG11  VAL  44          HG11      VAL  44   2.219  10.196  -7.489
  347   HG12  VAL  44          HG12      VAL  44   1.785  11.914  -7.313
  348   HG13  VAL  44          HG13      VAL  44   3.400  11.462  -7.908
  349   HG21  VAL  44          HG21      VAL  44   1.149  11.463  -4.957
  350   HG22  VAL  44          HG22      VAL  44   1.626   9.760  -5.103
  351   HG23  VAL  44          HG23      VAL  44   2.329  10.779  -3.822
  352    H    GLY  45           H        GLY  45   4.512   8.257  -4.033
  353    HA2  GLY  45           HA2      GLY  45   6.485   9.339  -2.271
  354    HA3  GLY  45           HA3      GLY  45   4.871   9.472  -1.544
  355    H    CYS  46           H        CYS  46   7.201   7.772  -0.768
  356    HA   CYS  46           HA       CYS  46   5.748   5.250  -0.520
  357    HB2  CYS  46           HB2      CYS  46   7.575   3.897  -1.486
  358    HB3  CYS  46           HB3      CYS  46   6.875   4.986  -2.707
  359    HG   CYS  46           HG       CYS  46   9.547   5.489  -0.824
  360    H    SER  47           H        SER  47   6.511   3.995   1.205
  361    HA   SER  47           HA       SER  47   9.019   4.669   2.539
  362    HB2  SER  47           HB2      SER  47   7.467   6.406   3.420
  363    HB3  SER  47           HB3      SER  47   6.366   5.124   3.971
  364    HG   SER  47           HG       SER  47   7.849   5.872   5.588
  365    H    VAL  48           H        VAL  48   9.772   2.895   3.654
  366    HA   VAL  48           HA       VAL  48   7.869   0.623   4.020
  367    HB   VAL  48           HB       VAL  48  10.835   0.580   3.377
  368   HG11  VAL  48          HG11      VAL  48  10.337  -1.248   4.912
  369   HG12  VAL  48          HG12      VAL  48   8.903  -1.709   3.958
  370   HG13  VAL  48          HG13      VAL  48  10.536  -1.898   3.277
  371   HG21  VAL  48          HG21      VAL  48   9.358   1.045   1.448
  372   HG22  VAL  48          HG22      VAL  48  10.040  -0.596   1.338
  373   HG23  VAL  48          HG23      VAL  48   8.359  -0.366   1.863
  374    H    HIS  49           H        HIS  49   8.088  -0.613   5.891
  375    HA   HIS  49           HA       HIS  49   9.673   0.552   8.121
  376    HB2  HIS  49           HB2      HIS  49   6.734  -0.217   8.195
  377    HB3  HIS  49           HB3      HIS  49   7.686   0.423   9.544
  378    HD2  HIS  49           HD2      HIS  49   6.146   1.520   6.149
  379    HE1  HIS  49           HE1      HIS  49   7.050   5.065   8.307
  380    HE2  HIS  49           HE2      HIS  49   5.945   4.127   6.217
  381    H    LYS  50           H        LYS  50   8.804  -1.260  10.095
  382    HA   LYS  50           HA       LYS  50   9.843  -3.787   8.972
  383    HB2  LYS  50           HB2      LYS  50   9.161  -2.990  11.835
  384    HB3  LYS  50           HB3      LYS  50   9.921  -4.510  11.339
  385    HG2  LYS  50           HG2      LYS  50  11.102  -1.729  10.959
  386    HG3  LYS  50           HG3      LYS  50  11.586  -2.906  12.184
  387    HD2  LYS  50           HD2      LYS  50  12.254  -4.496  10.390
  388    HD3  LYS  50           HD3      LYS  50  11.839  -3.269   9.167
  389    HE2  LYS  50           HE2      LYS  50  13.474  -1.714  10.157
  390    HE3  LYS  50           HE3      LYS  50  13.889  -2.921  11.392
  391    HZ1  LYS  50           HZ1      LYS  50  15.444  -2.941   9.574
  392    HZ2  LYS  50           HZ2      LYS  50  14.626  -4.369   9.627
  393    HZ3  LYS  50           HZ3      LYS  50  14.250  -3.243   8.489
  394    H    GLY  51           H        GLY  51   8.552  -5.269   8.192
  395    HA2  GLY  51           HA2      GLY  51   6.834  -6.813   8.157
  396    HA3  GLY  51           HA3      GLY  51   6.126  -6.054   9.587
  397    H    PHE  52           H        PHE  52   6.438  -3.405   7.705
  398    HA   PHE  52           HA       PHE  52   4.257  -3.961   5.827
  399    HB2  PHE  52           HB2      PHE  52   2.778  -2.250   6.691
  400    HB3  PHE  52           HB3      PHE  52   3.049  -3.472   7.919
  401    HD1  PHE  52           HD1      PHE  52   4.507  -2.973   9.896
  402    HD2  PHE  52           HD2      PHE  52   3.458   0.025   6.999
  403    HE1  PHE  52           HE1      PHE  52   5.193  -1.194  11.485
  404    HE2  PHE  52           HE2      PHE  52   4.143   1.796   8.588
  405    HZ   PHE  52           HZ       PHE  52   5.016   1.189  10.830
  406    H    ALA  53           H        ALA  53   3.692  -1.969   4.558
  407    HA   ALA  53           HA       ALA  53   5.724   0.158   4.481
  408    HB1  ALA  53           HB1      ALA  53   5.172  -1.702   2.134
  409    HB2  ALA  53           HB2      ALA  53   6.128  -0.204   2.060
  410    HB3  ALA  53           HB3      ALA  53   6.696  -1.564   3.048
  411    H    PHE  54           H        PHE  54   5.095   1.762   2.685
  412    HA   PHE  54           HA       PHE  54   2.171   1.888   2.212
  413    HB2  PHE  54           HB2      PHE  54   3.887   3.844   3.748
  414    HB3  PHE  54           HB3      PHE  54   2.534   4.433   2.793
  415    HD1  PHE  54           HD1      PHE  54   0.225   3.507   3.187
  416    HD2  PHE  54           HD2      PHE  54   3.476   2.912   5.941
  417    HE1  PHE  54           HE1      PHE  54  -1.398   3.025   5.000
  418    HE2  PHE  54           HE2      PHE  54   1.853   2.371   7.728
  419    HZ   PHE  54           HZ       PHE  54  -0.579   2.434   7.265
  420    H    VAL  55           H        VAL  55   1.577   2.978   0.382
  421    HA   VAL  55           HA       VAL  55   3.689   4.224  -1.298
  422    HB   VAL  55           HB       VAL  55   1.685   2.100  -2.186
  423   HG11  VAL  55          HG11      VAL  55   3.654   3.762  -3.812
  424   HG12  VAL  55          HG12      VAL  55   2.719   2.384  -4.428
  425   HG13  VAL  55          HG13      VAL  55   1.876   3.847  -3.908
  426   HG21  VAL  55          HG21      VAL  55   3.693   1.168  -1.113
  427   HG22  VAL  55          HG22      VAL  55   3.729   0.877  -2.861
  428   HG23  VAL  55          HG23      VAL  55   4.725   2.178  -2.157
  429    H    GLN  56           H        GLN  56   2.988   5.967  -2.478
  430    HA   GLN  56           HA       GLN  56   0.139   6.757  -2.068
  431    HB2  GLN  56           HB2      GLN  56   1.856   8.011  -0.691
  432    HB3  GLN  56           HB3      GLN  56   2.633   8.505  -2.194
  433    HG2  GLN  56           HG2      GLN  56   1.262  10.336  -1.542
  434    HG3  GLN  56           HG3      GLN  56   0.399   9.556  -2.875
  435   HE21  GLN  56          HE21      GLN  56  -1.756   9.691  -2.461
  436   HE22  GLN  56          HE22      GLN  56  -2.498   9.343  -0.904
  437    H    TYR  57           H        TYR  57  -0.978   7.353  -3.864
  438    HA   TYR  57           HA       TYR  57   0.519   7.446  -6.444
  439    HB2  TYR  57           HB2      TYR  57  -2.307   6.520  -5.815
  440    HB3  TYR  57           HB3      TYR  57  -1.643   6.720  -7.436
  441    HD1  TYR  57           HD1      TYR  57   0.801   5.551  -7.690
  442    HD2  TYR  57           HD2      TYR  57  -2.378   4.294  -5.067
  443    HE1  TYR  57           HE1      TYR  57   1.754   3.254  -7.628
  444    HE2  TYR  57           HE2      TYR  57  -1.410   2.020  -4.991
  445    HH   TYR  57           HH       TYR  57   0.274   0.666  -5.654
  446    H    VAL  58           H        VAL  58  -0.857   8.609  -8.172
  447    HA   VAL  58           HA       VAL  58  -1.198  11.343  -7.365
  448    HB   VAL  58           HB       VAL  58  -1.880   9.835  -9.926
  449   HG11  VAL  58          HG11      VAL  58  -1.811  12.833  -9.370
  450   HG12  VAL  58          HG12      VAL  58  -1.925  12.089 -10.983
  451   HG13  VAL  58          HG13      VAL  58  -3.242  11.873  -9.817
  452   HG21  VAL  58          HG21      VAL  58   0.156  10.921 -10.773
  453   HG22  VAL  58          HG22      VAL  58   0.432  11.676  -9.183
  454   HG23  VAL  58          HG23      VAL  58   0.534   9.909  -9.366
  455    H    ASN  59           H        ASN  59  -3.427   8.581  -7.818
  456    HA   ASN  59           HA       ASN  59  -5.411  10.085  -6.323
  457    HB2  ASN  59           HB2      ASN  59  -7.069  10.327  -7.865
  458    HB3  ASN  59           HB3      ASN  59  -5.640  10.699  -8.854
  459   HD21  ASN  59          HD21      ASN  59  -4.659   8.428  -9.809
  460   HD22  ASN  59          HD22      ASN  59  -5.874   7.474 -10.620
  461    H    GLU  60           H        GLU  60  -7.459   8.767  -6.001
  462    HA   GLU  60           HA       GLU  60  -6.852   6.299  -4.821
  463    HB2  GLU  60           HB2      GLU  60  -8.739   7.685  -4.189
  464    HB3  GLU  60           HB3      GLU  60  -9.459   7.511  -5.798
  465    HG2  GLU  60           HG2      GLU  60  -9.761   5.093  -5.422
  466    HG3  GLU  60           HG3      GLU  60  -8.996   5.233  -3.827
  467    H    ARG  61           H        ARG  61  -7.894   6.930  -8.202
  468    HA   ARG  61           HA       ARG  61  -8.734   4.282  -8.794
  469    HB2  ARG  61           HB2      ARG  61  -9.161   6.057 -10.354
  470    HB3  ARG  61           HB3      ARG  61  -7.445   6.475 -10.457
  471    HG2  ARG  61           HG2      ARG  61  -8.265   5.288 -12.463
  472    HG3  ARG  61           HG3      ARG  61  -6.921   4.465 -11.656
  473    HD2  ARG  61           HD2      ARG  61  -8.448   2.884 -10.613
  474    HD3  ARG  61           HD3      ARG  61  -9.855   3.750 -11.273
  475    HE   ARG  61           HE       ARG  61  -8.463   3.144 -13.533
  476   HH11  ARG  61          HH11      ARG  61  -9.452   1.166 -10.770
  477   HH12  ARG  61          HH12      ARG  61  -9.542  -0.303 -11.713
  478   HH21  ARG  61          HH21      ARG  61  -8.574   1.217 -14.725
  479   HH22  ARG  61          HH22      ARG  61  -9.050  -0.275 -13.947
  480    H    ASN  62           H        ASN  62  -5.472   5.759  -8.725
  481    HA   ASN  62           HA       ASN  62  -4.182   3.392  -9.779
  482    HB2  ASN  62           HB2      ASN  62  -3.289   5.911  -8.356
  483    HB3  ASN  62           HB3      ASN  62  -2.142   4.621  -8.809
  484   HD21  ASN  62          HD21      ASN  62  -2.785   3.787 -11.223
  485   HD22  ASN  62          HD22      ASN  62  -2.836   5.086 -12.401
  486    H    ALA  63           H        ALA  63  -5.277   4.387  -6.602
  487    HA   ALA  63           HA       ALA  63  -3.604   2.488  -5.165
  488    HB1  ALA  63           HB1      ALA  63  -4.997   3.120  -3.242
  489    HB2  ALA  63           HB2      ALA  63  -4.466   4.569  -4.129
  490    HB3  ALA  63           HB3      ALA  63  -6.134   3.961  -4.313
  491    H    ARG  64           H        ARG  64  -6.930   2.536  -6.473
  492    HA   ARG  64           HA       ARG  64  -7.698  -0.007  -5.353
  493    HB2  ARG  64           HB2      ARG  64  -8.672   1.455  -7.849
  494    HB3  ARG  64           HB3      ARG  64  -9.491   0.082  -7.098
  495    HG2  ARG  64           HG2      ARG  64  -9.017   2.780  -5.757
  496    HG3  ARG  64           HG3      ARG  64 -10.524   2.263  -6.523
  497    HD2  ARG  64           HD2      ARG  64 -10.679   0.377  -4.907
  498    HD3  ARG  64           HD3      ARG  64  -9.196   0.953  -4.116
  499    HE   ARG  64           HE       ARG  64 -10.989   3.135  -4.267
  500   HH11  ARG  64          HH11      ARG  64 -10.790   0.001  -2.609
  501   HH12  ARG  64          HH12      ARG  64 -11.753   0.570  -1.256
  502   HH21  ARG  64          HH21      ARG  64 -12.216   3.785  -2.515
  503   HH22  ARG  64          HH22      ARG  64 -12.565   2.664  -1.203
  504    H    ALA  65           H        ALA  65  -5.766   0.940  -8.140
  505    HA   ALA  65           HA       ALA  65  -6.050  -1.647  -9.471
  506    HB1  ALA  65           HB1      ALA  65  -4.401  -0.705 -11.026
  507    HB2  ALA  65           HB2      ALA  65  -5.693   0.472 -10.712
  508    HB3  ALA  65           HB3      ALA  65  -4.110   0.658  -9.924
  509    H    ALA  66           H        ALA  66  -3.735  -0.105  -7.219
  510    HA   ALA  66           HA       ALA  66  -1.833  -2.293  -7.507
  511    HB1  ALA  66           HB1      ALA  66  -0.639  -1.100  -5.731
  512    HB2  ALA  66           HB2      ALA  66  -1.161   0.016  -7.024
  513    HB3  ALA  66           HB3      ALA  66  -2.049  -0.036  -5.486
  514    H    VAL  67           H        VAL  67  -4.424  -1.376  -5.205
  515    HA   VAL  67           HA       VAL  67  -3.905  -3.436  -3.284
  516    HB   VAL  67           HB       VAL  67  -6.387  -1.900  -4.108
  517   HG11  VAL  67          HG11      VAL  67  -7.187  -4.000  -3.166
  518   HG12  VAL  67          HG12      VAL  67  -6.037  -3.876  -1.817
  519   HG13  VAL  67          HG13      VAL  67  -7.387  -2.719  -1.960
  520   HG21  VAL  67          HG21      VAL  67  -4.495  -0.677  -2.962
  521   HG22  VAL  67          HG22      VAL  67  -6.000  -0.700  -2.015
  522   HG23  VAL  67          HG23      VAL  67  -4.662  -1.796  -1.593
  523    H    ALA  68           H        ALA  68  -5.691  -3.398  -6.391
  524    HA   ALA  68           HA       ALA  68  -6.538  -6.183  -5.934
  525    HB1  ALA  68           HB1      ALA  68  -6.999  -4.299  -8.281
  526    HB2  ALA  68           HB2      ALA  68  -7.769  -5.885  -8.037
  527    HB3  ALA  68           HB3      ALA  68  -8.110  -4.553  -6.913
  528    H    GLY  69           H        GLY  69  -3.763  -4.632  -7.163
  529    HA2  GLY  69           HA2      GLY  69  -3.232  -6.792  -9.132
  530    HA3  GLY  69           HA3      GLY  69  -2.398  -5.239  -9.012
  531    H    GLU  70           H        GLU  70  -2.420  -5.993  -5.851
  532    HA   GLU  70           HA       GLU  70   0.051  -7.687  -6.024
  533    HB2  GLU  70           HB2      GLU  70  -0.314  -4.983  -4.708
  534    HB3  GLU  70           HB3      GLU  70   1.018  -6.083  -4.319
  535    HG2  GLU  70           HG2      GLU  70   0.444  -5.138  -7.147
  536    HG3  GLU  70           HG3      GLU  70   1.527  -4.288  -6.039
  537    H    ASP  71           H        ASP  71  -2.881  -6.808  -4.251
  538    HA   ASP  71           HA       ASP  71  -2.110  -7.899  -1.737
  539    HB2  ASP  71           HB2      ASP  71  -4.120  -6.522  -2.066
  540    HB3  ASP  71           HB3      ASP  71  -4.840  -7.788  -3.068
  541    H    GLY  72           H        GLY  72  -1.400  -9.923  -1.329
  542    HA2  GLY  72           HA2      GLY  72  -1.654 -12.255  -1.162
  543    HA3  GLY  72           HA3      GLY  72  -2.902 -12.214  -2.423
  544    H    ARG  73           H        ARG  73  -0.212 -10.331  -3.335
  545    HA   ARG  73           HA       ARG  73   0.798 -12.342  -5.187
  546    HB2  ARG  73           HB2      ARG  73   2.183 -10.646  -6.023
  547    HB3  ARG  73           HB3      ARG  73   0.677  -9.834  -5.583
  548    HG2  ARG  73           HG2      ARG  73   1.994  -8.375  -4.444
  549    HG3  ARG  73           HG3      ARG  73   2.124  -9.656  -3.227
  550    HD2  ARG  73           HD2      ARG  73   4.348  -8.904  -3.799
  551    HD3  ARG  73           HD3      ARG  73   4.150 -10.511  -4.525
  552    HE   ARG  73           HE       ARG  73   3.592  -8.060  -6.112
  553   HH11  ARG  73          HH11      ARG  73   5.584 -10.979  -5.702
  554   HH12  ARG  73          HH12      ARG  73   6.286 -10.821  -7.295
  555   HH21  ARG  73          HH21      ARG  73   4.531  -7.908  -8.127
  556   HH22  ARG  73          HH22      ARG  73   5.705  -9.089  -8.663
  557    H    MET  74           H        MET  74   3.340 -12.706  -5.091
  558    HA   MET  74           HA       MET  74   3.958 -13.322  -2.232
  559    HB2  MET  74           HB2      MET  74   3.417 -15.266  -3.648
  560    HB3  MET  74           HB3      MET  74   4.802 -14.883  -4.693
  561    HG2  MET  74           HG2      MET  74   6.365 -15.313  -2.979
  562    HG3  MET  74           HG3      MET  74   5.154 -15.145  -1.700
  563    HE1  MET  74           HE1      MET  74   3.128 -18.364  -1.717
  564    HE2  MET  74           HE2      MET  74   3.540 -16.846  -0.882
  565    HE3  MET  74           HE3      MET  74   2.729 -16.805  -2.461
  566    H    ILE  75           H        ILE  75   5.580 -12.222  -1.422
  567    HA   ILE  75           HA       ILE  75   7.781 -11.411  -3.248
  568    HB   ILE  75           HB       ILE  75   5.904  -9.726  -1.809
  569   HG12  ILE  75          HG12      ILE  75   8.244  -9.203  -3.691
  570   HG13  ILE  75          HG11      ILE  75   6.587  -9.595  -4.170
  571   HG21  ILE  75          HG21      ILE  75   8.844  -9.261  -1.177
  572   HG22  ILE  75          HG22      ILE  75   7.497  -8.144  -0.818
  573   HG23  ILE  75          HG23      ILE  75   7.573  -9.710  -0.012
  574   HD11  ILE  75          HD11      ILE  75   7.467  -7.092  -2.662
  575   HD12  ILE  75          HD12      ILE  75   7.000  -7.196  -4.367
  576   HD13  ILE  75          HD13      ILE  75   5.786  -7.488  -3.110
  577    H    ALA  76           H        ALA  76   9.823 -11.625  -2.483
  578    HA   ALA  76           HA       ALA  76  11.439 -12.707  -1.346
  579    HB1  ALA  76           HB1      ALA  76   9.969 -11.727   1.118
  580    HB2  ALA  76           HB2      ALA  76  11.680 -12.189   0.995
  581    HB3  ALA  76           HB3      ALA  76  11.085 -10.746   0.130
  582    H    GLY  77           H        GLY  77   8.756 -14.130  -1.867
  583    HA2  GLY  77           HA2      GLY  77   8.299 -16.406  -1.744
  584    HA3  GLY  77           HA3      GLY  77   9.462 -16.574  -0.406
  585    H    GLN  78           H        GLN  78   7.465 -13.908   0.256
  586    HA   GLN  78           HA       GLN  78   5.524 -15.607   1.733
  587    HB2  GLN  78           HB2      GLN  78   7.187 -14.872   3.267
  588    HB3  GLN  78           HB3      GLN  78   7.158 -13.226   2.635
  589    HG2  GLN  78           HG2      GLN  78   4.486 -13.956   3.515
  590    HG3  GLN  78           HG3      GLN  78   5.659 -14.286   4.803
  591   HE21  GLN  78          HE21      GLN  78   5.354 -11.747   2.238
  592   HE22  GLN  78          HE22      GLN  78   5.487 -10.397   3.348
  593    H    VAL  79           H        VAL  79   3.445 -15.051   1.597
  594    HA   VAL  79           HA       VAL  79   2.461 -13.349  -0.457
  595    HB   VAL  79           HB       VAL  79   1.108 -14.492   2.025
  596   HG11  VAL  79          HG11      VAL  79  -0.034 -13.498  -0.615
  597   HG12  VAL  79          HG12      VAL  79  -0.957 -14.369   0.638
  598   HG13  VAL  79          HG13      VAL  79  -0.281 -12.771   0.996
  599   HG21  VAL  79          HG21      VAL  79   2.162 -16.252   0.670
  600   HG22  VAL  79          HG22      VAL  79   0.400 -16.312   0.504
  601   HG23  VAL  79          HG23      VAL  79   1.385 -15.601  -0.799
  602    H    LEU  80           H        LEU  80   1.662 -11.293  -0.482
  603    HA   LEU  80           HA       LEU  80   2.077  -9.685   1.981
  604    HB2  LEU  80           HB2      LEU  80   1.379  -8.718  -0.813
  605    HB3  LEU  80           HB3      LEU  80   1.858  -7.742   0.574
  606    HG   LEU  80           HG       LEU  80   3.583  -9.729  -0.953
  607   HD11  LEU  80          HD11      LEU  80   3.668  -6.720  -0.481
  608   HD12  LEU  80          HD12      LEU  80   4.954  -7.659  -1.274
  609   HD13  LEU  80          HD13      LEU  80   3.332  -7.557  -2.018
  610   HD21  LEU  80          HD21      LEU  80   4.111  -9.919   1.444
  611   HD22  LEU  80          HD22      LEU  80   5.396  -9.043   0.595
  612   HD23  LEU  80          HD23      LEU  80   4.200  -8.142   1.573
  613    H    ASP  81           H        ASP  81   0.481  -8.176   2.701
  614    HA   ASP  81           HA       ASP  81  -2.314  -8.864   1.925
  615    HB2  ASP  81           HB2      ASP  81  -1.711  -9.771   4.160
  616    HB3  ASP  81           HB3      ASP  81  -1.262  -8.145   4.692
  617    H    ILE  82           H        ILE  82  -2.858  -7.175   0.639
  618    HA   ILE  82           HA       ILE  82  -1.925  -4.451   1.433
  619    HB   ILE  82           HB       ILE  82  -2.210  -5.735  -1.281
  620   HG12  ILE  82          HG12      ILE  82   0.211  -4.461   0.037
  621   HG13  ILE  82          HG11      ILE  82  -0.188  -6.161   0.327
  622   HG21  ILE  82          HG21      ILE  82  -1.458  -2.864  -0.555
  623   HG22  ILE  82          HG22      ILE  82  -1.396  -3.567  -2.185
  624   HG23  ILE  82          HG23      ILE  82  -2.954  -3.359  -1.377
  625   HD11  ILE  82          HD11      ILE  82   0.239  -4.985  -2.428
  626   HD12  ILE  82          HD12      ILE  82   1.436  -5.924  -1.496
  627   HD13  ILE  82          HD13      ILE  82  -0.086  -6.692  -2.001
  628    H    ASN  83           H        ASN  83  -3.388  -2.801   1.427
  629    HA   ASN  83           HA       ASN  83  -5.979  -2.998   0.114
  630    HB2  ASN  83           HB2      ASN  83  -7.260  -2.666   2.226
  631    HB3  ASN  83           HB3      ASN  83  -6.542  -4.274   2.069
  632   HD21  ASN  83          HD21      ASN  83  -6.012  -1.035   3.580
  633   HD22  ASN  83          HD22      ASN  83  -5.158  -1.656   4.968
  634    H    LEU  84           H        LEU  84  -7.254  -0.920   0.482
  635    HA   LEU  84           HA       LEU  84  -5.634   1.356   0.156
  636    HB2  LEU  84           HB2      LEU  84  -8.252   0.779  -0.231
  637    HB3  LEU  84           HB3      LEU  84  -8.382   1.586   1.342
  638    HG   LEU  84           HG       LEU  84  -6.973   3.476   0.285
  639   HD11  LEU  84          HD11      LEU  84  -7.145   3.599  -2.195
  640   HD12  LEU  84          HD12      LEU  84  -6.220   2.164  -1.687
  641   HD13  LEU  84          HD13      LEU  84  -7.905   1.994  -2.221
  642   HD21  LEU  84          HD21      LEU  84  -9.768   2.864  -0.776
  643   HD22  LEU  84          HD22      LEU  84  -9.382   3.695   0.749
  644   HD23  LEU  84          HD23      LEU  84  -8.984   4.462  -0.805
  645    H    ALA  85           H        ALA  85  -5.080   3.074   1.607
  646    HA   ALA  85           HA       ALA  85  -4.414   2.159   4.227
  647    HB1  ALA  85           HB1      ALA  85  -4.345   4.965   3.061
  648    HB2  ALA  85           HB2      ALA  85  -3.488   4.405   4.517
  649    HB3  ALA  85           HB3      ALA  85  -3.049   3.748   2.926
  650    H    ALA  86           H        ALA  86  -7.437   3.052   3.188
  651    HA   ALA  86           HA       ALA  86  -8.188   3.846   5.947
  652    HB1  ALA  86           HB1      ALA  86  -8.034   5.890   4.607
  653    HB2  ALA  86           HB2      ALA  86  -9.128   5.197   3.384
  654    HB3  ALA  86           HB3      ALA  86  -9.727   5.545   5.021
  655    H    GLU  87           H        GLU  87  -8.462   1.541   3.660
  656    HA   GLU  87           HA       GLU  87 -11.129   0.728   4.652
  657    HB2  GLU  87           HB2      GLU  87 -10.355   0.794   1.708
  658    HB3  GLU  87           HB3      GLU  87 -11.788   0.001   2.388
  659    HG2  GLU  87           HG2      GLU  87 -12.560   2.189   3.273
  660    HG3  GLU  87           HG3      GLU  87 -11.167   2.974   2.511
  661    HA   PRO  88           HA       PRO  88  -7.835  -2.579   4.691
  662    HB2  PRO  88           HB2      PRO  88  -8.197  -3.353   7.314
  663    HB3  PRO  88           HB3      PRO  88  -7.097  -2.052   6.805
  664    HG2  PRO  88           HG2      PRO  88  -9.930  -1.764   7.836
  665    HG3  PRO  88           HG3      PRO  88  -8.468  -0.840   8.322
  666    HD2  PRO  88           HD2      PRO  88 -10.252   0.142   6.522
  667    HD3  PRO  88           HD3      PRO  88  -8.498   0.428   6.333
  668    H    LYS  89           H        LYS  89  -8.326  -4.789   4.442
  669    HA   LYS  89           HA       LYS  89 -10.746  -5.219   3.171
  670    HB2  LYS  89           HB2      LYS  89 -10.164  -7.728   3.563
  671    HB3  LYS  89           HB3      LYS  89  -9.137  -6.712   2.548
  672    HG2  LYS  89           HG2      LYS  89  -7.463  -6.513   4.208
  673    HG3  LYS  89           HG3      LYS  89  -8.526  -7.131   5.495
  674    HD2  LYS  89           HD2      LYS  89  -6.877  -8.827   4.740
  675    HD3  LYS  89           HD3      LYS  89  -8.557  -9.332   4.530
  676    HE2  LYS  89           HE2      LYS  89  -7.307  -9.980   2.565
  677    HE3  LYS  89           HE3      LYS  89  -8.431  -8.695   2.113
  678    HZ1  LYS  89           HZ1      LYS  89  -5.565  -8.362   2.683
  679    HZ2  LYS  89           HZ2      LYS  89  -6.252  -8.342   1.193
  680    HZ3  LYS  89           HZ3      LYS  89  -6.590  -7.142   2.264
  681    H    VAL  90           H        VAL  90  -9.984  -6.731   6.377
  682    HA   VAL  90           HA       VAL  90 -12.845  -6.399   7.089
  683    HB   VAL  90           HB       VAL  90 -11.405  -9.077   6.987
  684   HG11  VAL  90          HG11      VAL  90 -14.132  -8.349   8.129
  685   HG12  VAL  90          HG12      VAL  90 -13.499 -10.000   7.936
  686   HG13  VAL  90          HG13      VAL  90 -12.711  -8.880   9.061
  687   HG21  VAL  90          HG21      VAL  90 -12.374  -8.441   4.813
  688   HG22  VAL  90          HG22      VAL  90 -13.323  -9.737   5.547
  689   HG23  VAL  90          HG23      VAL  90 -13.929  -8.064   5.607
  690    H    ASN  91           H        ASN  91  -9.554  -7.540   8.042
  691    HA   ASN  91           HA       ASN  91 -10.127  -6.551  10.768
  692    HB2  ASN  91           HB2      ASN  91  -9.472  -8.659  11.779
  693    HB3  ASN  91           HB3      ASN  91 -10.819  -8.934  10.661
  694   HD21  ASN  91          HD21      ASN  91 -10.444 -10.017   8.656
  695   HD22  ASN  91          HD22      ASN  91  -8.994 -10.972   8.408
  696    H    ARG  92           H        ARG  92  -8.093  -6.362   8.257
  697    HA   ARG  92           HA       ARG  92  -5.912  -6.042   7.846
  698    HB2  ARG  92           HB2      ARG  92  -6.231  -4.220   9.487
  699    HB3  ARG  92           HB3      ARG  92  -5.666  -5.306  10.778
  700    HG2  ARG  92           HG2      ARG  92  -3.518  -5.622   9.530
  701    HG3  ARG  92           HG3      ARG  92  -4.108  -4.501   8.284
  702    HD2  ARG  92           HD2      ARG  92  -2.658  -3.296   9.780
  703    HD3  ARG  92           HD3      ARG  92  -4.320  -2.735  10.060
  704    HE   ARG  92           HE       ARG  92  -2.720  -4.565  11.804
  705   HH11  ARG  92          HH11      ARG  92  -5.480  -2.388  11.394
  706   HH12  ARG  92          HH12      ARG  92  -5.858  -2.356  13.104
  707   HH21  ARG  92          HH21      ARG  92  -3.237  -4.505  14.012
  708   HH22  ARG  92          HH22      ARG  92  -4.596  -3.563  14.583
  709    H    GLY  93           H        GLY  93  -5.755  -7.490  11.142
  710    HA2  GLY  93           HA2      GLY  93  -5.055  -9.642  11.701
  711    HA3  GLY  93           HA3      GLY  93  -4.556  -9.930  10.021
  712    H    LYS  94           H        LYS  94  -2.909 -10.788  11.961
  713    HA   LYS  94           HA       LYS  94  -0.618  -8.873  11.878
  714    HB2  LYS  94           HB2      LYS  94  -1.592 -10.518  14.225
  715    HB3  LYS  94           HB3      LYS  94  -0.034  -9.662  14.162
  716    HG2  LYS  94           HG2      LYS  94  -1.304  -7.531  13.672
  717    HG3  LYS  94           HG3      LYS  94  -2.810  -8.409  14.011
  718    HD2  LYS  94           HD2      LYS  94  -0.467  -8.067  15.923
  719    HD3  LYS  94           HD3      LYS  94  -1.987  -7.144  15.974
  720    HE2  LYS  94           HE2      LYS  94  -3.244  -9.249  16.327
  721    HE3  LYS  94           HE3      LYS  94  -1.725 -10.161  16.299
  722    HZ1  LYS  94           HZ1      LYS  94  -1.023  -8.922  18.234
  723    HZ2  LYS  94           HZ2      LYS  94  -2.427  -8.067  18.255
  724    HZ3  LYS  94           HZ3      LYS  94  -2.444  -9.685  18.542
  725    H    ALA  95           H        ALA  95  -1.807 -11.868  10.958
  726    HA   ALA  95           HA       ALA  95   0.905 -12.889  10.472
  727    HB1  ALA  95           HB1      ALA  95  -1.166 -14.407  12.111
  728    HB2  ALA  95           HB2      ALA  95   0.393 -15.060  11.548
  729    HB3  ALA  95           HB3      ALA  95   0.353 -13.720  12.723
  730    H    GLY  96           H        GLY  96   0.514 -12.718   8.259
  731    HA2  GLY  96           HA2      GLY  96  -1.932 -13.787   7.076
  732    HA3  GLY  96           HA3      GLY  96  -0.560 -13.043   6.237
  733    H    VAL  97           H        VAL  97   0.970 -15.188   8.154
  734    HA   VAL  97           HA       VAL  97   0.638 -17.455   6.242
  735    HB   VAL  97           HB       VAL  97   3.200 -16.497   7.567
  736   HG11  VAL  97          HG11      VAL  97   2.637 -18.719   5.555
  737   HG12  VAL  97          HG12      VAL  97   4.252 -18.182   6.074
  738   HG13  VAL  97          HG13      VAL  97   3.160 -18.933   7.245
  739   HG21  VAL  97          HG21      VAL  97   2.487 -14.979   5.760
  740   HG22  VAL  97          HG22      VAL  97   3.889 -15.940   5.247
  741   HG23  VAL  97          HG23      VAL  97   2.265 -16.368   4.667
  742    H    LYS  98           H        LYS  98   0.296 -19.399   7.089
  743    HA   LYS  98           HA       LYS  98   0.839 -19.881   9.939
  744    HB2  LYS  98           HB2      LYS  98  -1.362 -20.690  10.406
  745    HB3  LYS  98           HB3      LYS  98  -1.467 -19.040   9.798
  746    HG2  LYS  98           HG2      LYS  98  -2.027 -21.559   8.161
  747    HG3  LYS  98           HG3      LYS  98  -3.249 -20.567   8.944
  748    HD2  LYS  98           HD2      LYS  98  -1.433 -19.723   6.655
  749    HD3  LYS  98           HD3      LYS  98  -3.167 -20.025   6.584
  750    HE2  LYS  98           HE2      LYS  98  -1.838 -17.818   8.215
  751    HE3  LYS  98           HE3      LYS  98  -2.630 -17.600   6.652
  752    HZ1  LYS  98           HZ1      LYS  98  -3.941 -18.540   9.115
  753    HZ2  LYS  98           HZ2      LYS  98  -4.092 -17.046   8.442
  754    HZ3  LYS  98           HZ3      LYS  98  -4.680 -18.362   7.654
  755    H    ARG  99           H        ARG  99   1.844 -20.756   7.206
  756    HA   ARG  99           HA       ARG  99   1.486 -23.705   7.530
  757    HB2  ARG  99           HB2      ARG  99   1.854 -21.900   5.156
  758    HB3  ARG  99           HB3      ARG  99   2.609 -23.492   5.105
  759    HG2  ARG  99           HG2      ARG  99   0.435 -23.676   4.110
  760    HG3  ARG  99           HG3      ARG  99   0.451 -24.561   5.649
  761    HD2  ARG  99           HD2      ARG  99  -0.672 -22.648   6.757
  762    HD3  ARG  99           HD3      ARG  99  -0.675 -21.763   5.222
  763    HE   ARG  99           HE       ARG  99  -2.366 -23.171   4.393
  764   HH11  ARG  99          HH11      ARG  99  -1.334 -24.222   7.618
  765   HH12  ARG  99          HH12      ARG  99  -2.721 -25.261   7.842
  766   HH21  ARG  99          HH21      ARG  99  -4.148 -24.543   4.719
  767   HH22  ARG  99          HH22      ARG  99  -4.308 -25.439   6.207
  768    H    SER 100           H        SER 100   3.469 -24.923   6.676
  769    HA   SER 100           HA       SER 100   5.663 -24.334   8.401
  770    HB2  SER 100           HB2      SER 100   5.200 -26.264   6.105
  771    HB3  SER 100           HB3      SER 100   6.699 -26.256   7.047
  772    HG   SER 100           HG       SER 100   5.139 -27.728   7.885
  773    H    ALA 101           H        ALA 101   4.834 -23.020   5.367
  774    HA   ALA 101           HA       ALA 101   5.914 -21.987   3.690
  775    HB1  ALA 101           HB1      ALA 101   7.897 -21.258   5.870
  776    HB2  ALA 101           HB2      ALA 101   7.650 -20.401   4.334
  777    HB3  ALA 101           HB3      ALA 101   6.351 -20.433   5.547
  778    H    ALA 102           H        ALA 102   6.869 -24.834   4.532
  779    HA   ALA 102           HA       ALA 102   8.968 -24.989   2.476
  780    HB1  ALA 102           HB1      ALA 102   9.347 -26.021   5.317
  781    HB2  ALA 102           HB2      ALA 102  10.459 -26.275   3.949
  782    HB3  ALA 102           HB3      ALA 102  10.197 -24.638   4.584
  783    H    GLU 103           H        GLU 103   6.051 -25.979   3.448
  784    HA   GLU 103           HA       GLU 103   6.443 -28.880   3.240
  785    HB2  GLU 103           HB2      GLU 103   4.041 -28.976   3.770
  786    HB3  GLU 103           HB3      GLU 103   4.947 -28.005   4.947
  787    HG2  GLU 103           HG2      GLU 103   4.212 -25.931   3.790
  788    HG3  GLU 103           HG3      GLU 103   3.305 -26.905   2.621
  789    H    MET 104           H        MET 104   6.258 -26.437   1.039
  790    HA   MET 104           HA       MET 104   4.773 -28.093  -0.942
  791    HB2  MET 104           HB2      MET 104   3.828 -26.034  -1.875
  792    HB3  MET 104           HB3      MET 104   3.382 -26.248  -0.169
  793    HG2  MET 104           HG2      MET 104   5.189 -24.686   0.496
  794    HG3  MET 104           HG3      MET 104   5.628 -24.477  -1.203
  795    HE1  MET 104           HE1      MET 104   3.056 -23.783   1.630
  796    HE2  MET 104           HE2      MET 104   1.736 -22.938   0.792
  797    HE3  MET 104           HE3      MET 104   2.014 -24.666   0.491
  798    H    TYR 105           H        TYR 105   7.772 -27.256  -0.210
  799    HA   TYR 105           HA       TYR 105   8.528 -26.794  -3.065
  800    HB2  TYR 105           HB2      TYR 105  10.021 -25.875  -0.594
  801    HB3  TYR 105           HB3      TYR 105  10.460 -25.553  -2.274
  802    HD1  TYR 105           HD1      TYR 105   8.484 -24.395  -3.699
  803    HD2  TYR 105           HD2      TYR 105   8.945 -24.204   0.566
  804    HE1  TYR 105           HE1      TYR 105   7.135 -22.304  -3.652
  805    HE2  TYR 105           HE2      TYR 105   7.595 -22.116   0.632
  806    HH   TYR 105           HH       TYR 105   6.432 -20.565  -0.598
  807    H    GLY 106           H        GLY 106   8.547 -28.990  -0.525
  808    HA2  GLY 106           HA2      GLY 106   9.529 -31.054  -0.297
  809    HA3  GLY 106           HA3      GLY 106  10.202 -30.861  -1.924
  810    H5'    U   1           H5'        U   1   4.000  -6.960   9.769
  811   H5''    U   1          H5''        U   1   4.179  -5.992  11.248
  812    H4'    U   1           H4'        U   1   3.120  -4.585   9.668
  813    H3'    U   1           H3'        U   1   1.899  -5.080  12.066
  814    H2'    U   1           H2'        U   1   0.435  -6.788  11.245
  815   HO2'    U   1          HO2'        U   1  -0.724  -4.607  11.858
  816    H1'    U   1           H1'        U   1  -0.039  -5.105   8.788
  817    H3     U   1           H3         U   1  -2.769  -8.228   7.013
  818    H5     U   1           H5         U   1   0.011 -10.534   9.159
  819    H6     U   1           H6         U   1   1.096  -8.484   9.841
  820    H5'    U   2           H5'        U   2   1.509  -0.796   9.767
  821   H5''    U   2          H5''        U   2   1.844  -0.110  11.369
  822    H4'    U   2           H4'        U   2   1.051   1.685  10.016
  823    H3'    U   2           H3'        U   2  -0.415   0.859  12.354
  824    H2'    U   2           H2'        U   2  -2.321   0.288  11.088
  825   HO2'    U   2          HO2'        U   2  -2.405   3.103  11.478
  826    H1'    U   2           H1'        U   2  -1.495   2.560   9.251
  827    H3     U   2           H3         U   2  -4.950   2.335   6.424
  828    H5     U   2           H5         U   2  -4.787  -1.579   7.930
  829    H6     U   2           H6         U   2  -2.906  -0.911   9.313
  830    H5'    U   3           H5'        U   3   2.799   2.276  10.629
  831   H5''    U   3          H5''        U   3   3.720   2.895  12.009
  832    H4'    U   3           H4'        U   3   4.957   3.507  10.090
  833    H3'    U   3           H3'        U   3   4.051   5.442  11.832
  834    H2'    U   3           H2'        U   3   2.238   6.204  10.549
  835   HO2'    U   3          HO2'        U   3   4.080   7.865  10.562
  836    H1'    U   3           H1'        U   3   3.755   5.902   7.967
  837    H3     U   3           H3         U   3   0.047   6.816   5.596
  838    H5     U   3           H5         U   3  -1.475   4.762   8.934
  839    H6     U   3           H6         U   3   0.789   4.563   9.773
  840    H5'    U   4           H5'        U   4   8.156   5.142  10.109
  841   H5''    U   4          H5''        U   4   9.107   5.823  11.433
  842    H4'    U   4           H4'        U   4  10.439   5.599   9.369
  843    H3'    U   4           H3'        U   4  10.403   7.797  11.043
  844    H2'    U   4           H2'        U   4   8.927   9.108   9.800
  845   HO2'    U   4          HO2'        U   4  10.931  10.253   9.861
  846    H1'    U   4           H1'        U   4  10.124   8.223   7.162
  847    H3     U   4           H3         U   4   7.227  11.411   5.718
  848    H5     U   4           H5         U   4   4.793   8.496   7.508
  849    H6     U   4           H6         U   4   6.792   7.400   8.321
  850    H5'    C   5           H5'        C   5  14.738   5.793   8.388
  851   H5''    C   5          H5''        C   5  13.247   6.153   7.495
  852    H4'    C   5           H4'        C   5  14.334   4.207   6.513
  853    H3'    C   5           H3'        C   5  11.724   3.846   7.923
  854    H2'    C   5           H2'        C   5  11.816   1.442   7.750
  855   HO2'    C   5          HO2'        C   5  12.743   1.457   5.598
  856    H1'    C   5           H1'        C   5  14.317   1.146   8.638
  857    H41    C   5           H41        C   5  12.394   3.080  14.442
  858    H42    C   5           H42        C   5  10.747   3.069  13.849
  859    H5     C   5           H5         C   5  10.192   2.705  11.498
  860    H6     C   5           H6         C   5  11.093   2.306   9.306
  Start of MODEL   16
    1    H1   ALA   2           H1       ALA   2  10.421  10.331  -6.157
    2    H2   ALA   2           H2       ALA   2  10.911   8.804  -5.748
    3    H3   ALA   2           H3       ALA   2   9.722   9.018  -6.881
    4    HA   ALA   2           HA       ALA   2   8.252   9.946  -5.254
    5    HB1  ALA   2           HB1      ALA   2   7.820   7.883  -3.981
    6    HB2  ALA   2           HB2      ALA   2   8.128   7.549  -5.699
    7    HB3  ALA   2           HB3      ALA   2   9.394   7.238  -4.490
    8    H    SER   3           H        SER   3   7.857  10.723  -3.181
    9    HA   SER   3           HA       SER   3  10.202  11.520  -1.646
   10    HB2  SER   3           HB2      SER   3   8.578  12.733  -0.287
   11    HB3  SER   3           HB3      SER   3   8.269  13.019  -2.019
   12    HG   SER   3           HG       SER   3   6.356  12.539  -0.895
   13    H    ASN   4           H        ASN   4  10.175  11.253   0.786
   14    HA   ASN   4           HA       ASN   4   9.740   8.431   1.456
   15    HB2  ASN   4           HB2      ASN   4  10.906  10.787   2.996
   16    HB3  ASN   4           HB3      ASN   4  10.822   9.141   3.627
   17   HD21  ASN   4          HD21      ASN   4  13.266  10.429   3.438
   18   HD22  ASN   4          HD22      ASN   4  14.220   9.676   2.176
   19    H    VAL   5           H        VAL   5   7.689  11.024   1.321
   20    HA   VAL   5           HA       VAL   5   6.430  10.570   3.952
   21    HB   VAL   5           HB       VAL   5   6.023  12.690   1.828
   22   HG11  VAL   5          HG11      VAL   5   4.748  12.398   4.588
   23   HG12  VAL   5          HG12      VAL   5   4.590  13.802   3.516
   24   HG13  VAL   5          HG13      VAL   5   3.899  12.242   3.029
   25   HG21  VAL   5          HG21      VAL   5   8.135  12.856   3.112
   26   HG22  VAL   5          HG22      VAL   5   7.007  14.151   3.569
   27   HG23  VAL   5          HG23      VAL   5   7.223  12.740   4.634
   28    H    THR   6           H        THR   6   4.573   9.574   4.269
   29    HA   THR   6           HA       THR   6   2.765   8.968   2.020
   30    HB   THR   6           HB       THR   6   2.725   6.559   2.596
   31    HG1  THR   6           HG1      THR   6   3.548   6.677   4.699
   32   HG21  THR   6          HG21      THR   6   5.548   7.465   1.915
   33   HG22  THR   6          HG22      THR   6   4.817   5.888   1.580
   34   HG23  THR   6          HG23      THR   6   4.193   7.338   0.756
   35    H    ASN   7           H        ASN   7   2.949  10.386   4.894
   36    HA   ASN   7           HA       ASN   7   0.649   8.915   6.053
   37    HB2  ASN   7           HB2      ASN   7   2.790   8.978   7.337
   38    HB3  ASN   7           HB3      ASN   7   2.579  10.723   7.531
   39   HD21  ASN   7          HD21      ASN   7   2.635  10.065   9.863
   40   HD22  ASN   7          HD22      ASN   7   1.135   9.558  10.619
   41    H    LYS   8           H        LYS   8   0.332  10.899   3.914
   42    HA   LYS   8           HA       LYS   8  -0.762  13.289   5.147
   43    HB2  LYS   8           HB2      LYS   8  -1.093  12.097   2.368
   44    HB3  LYS   8           HB3      LYS   8  -1.700  13.687   2.885
   45    HG2  LYS   8           HG2      LYS   8   0.635  14.321   3.541
   46    HG3  LYS   8           HG3      LYS   8   1.219  12.794   2.852
   47    HD2  LYS   8           HD2      LYS   8  -0.297  14.962   1.341
   48    HD3  LYS   8           HD3      LYS   8   1.459  14.712   1.286
   49    HE2  LYS   8           HE2      LYS   8   1.119  12.445   0.361
   50    HE3  LYS   8           HE3      LYS   8  -0.636  12.669   0.437
   51    HZ1  LYS   8           HZ1      LYS   8  -0.397  14.500  -1.105
   52    HZ2  LYS   8           HZ2      LYS   8   1.225  14.280  -1.185
   53    HZ3  LYS   8           HZ3      LYS   8   0.210  13.118  -1.757
   54    H    THR   9           H        THR   9  -2.889  13.763   5.608
   55    HA   THR   9           HA       THR   9  -4.668  11.378   5.831
   56    HB   THR   9           HB       THR   9  -5.524  12.415   7.917
   57    HG1  THR   9           HG1      THR   9  -4.281  14.128   8.774
   58   HG21  THR   9          HG21      THR   9  -3.714  10.719   7.980
   59   HG22  THR   9          HG22      THR   9  -2.501  12.017   7.889
   60   HG23  THR   9          HG23      THR   9  -3.577  11.894   9.303
   61    H    ASP  10           H        ASP  10  -4.465  13.824   3.819
   62    HA   ASP  10           HA       ASP  10  -6.921  15.242   4.219
   63    HB2  ASP  10           HB2      ASP  10  -5.312  14.788   1.674
   64    HB3  ASP  10           HB3      ASP  10  -6.575  16.009   1.892
   65    HA   PRO  11           HA       PRO  11 -10.097  12.686   3.078
   66    HB2  PRO  11           HB2      PRO  11 -11.116  14.752   1.160
   67    HB3  PRO  11           HB3      PRO  11 -11.949  13.983   2.562
   68    HG2  PRO  11           HG2      PRO  11 -11.022  16.516   2.751
   69    HG3  PRO  11           HG3      PRO  11 -10.780  15.358   4.110
   70    HD2  PRO  11           HD2      PRO  11  -8.827  16.109   1.924
   71    HD3  PRO  11           HD3      PRO  11  -8.567  16.044   3.693
   72    H    ARG  12           H        ARG  12  -7.894  13.496   0.628
   73    HA   ARG  12           HA       ARG  12  -9.002  11.342  -1.120
   74    HB2  ARG  12           HB2      ARG  12  -9.146  13.984  -1.774
   75    HB3  ARG  12           HB3      ARG  12  -7.567  13.589  -2.455
   76    HG2  ARG  12           HG2      ARG  12 -10.172  12.097  -2.971
   77    HG3  ARG  12           HG3      ARG  12  -9.477  13.320  -4.045
   78    HD2  ARG  12           HD2      ARG  12  -7.479  11.876  -4.380
   79    HD3  ARG  12           HD3      ARG  12  -8.202  10.646  -3.326
   80    HE   ARG  12           HE       ARG  12  -9.719  10.059  -4.978
   81   HH11  ARG  12          HH11      ARG  12  -7.908  12.924  -5.983
   82   HH12  ARG  12          HH12      ARG  12  -8.461  12.830  -7.641
   83   HH21  ARG  12          HH21      ARG  12 -10.416   9.962  -7.135
   84   HH22  ARG  12          HH22      ARG  12  -9.885  11.156  -8.290
   85    H    SER  13           H        SER  13  -6.237  13.060   0.271
   86    HA   SER  13           HA       SER  13  -4.258  11.618  -1.265
   87    HB2  SER  13           HB2      SER  13  -3.978  13.150   1.347
   88    HB3  SER  13           HB3      SER  13  -2.660  12.658   0.266
   89    HG   SER  13           HG       SER  13  -3.592  13.954  -1.354
   90    H    MET  14           H        MET  14  -6.128  10.854   1.628
   91    HA   MET  14           HA       MET  14  -4.221   8.687   2.213
   92    HB2  MET  14           HB2      MET  14  -5.281   8.338   4.213
   93    HB3  MET  14           HB3      MET  14  -5.317  10.104   4.019
   94    HG2  MET  14           HG2      MET  14  -7.660  10.017   3.364
   95    HG3  MET  14           HG3      MET  14  -7.631   8.253   3.321
   96    HE1  MET  14           HE1      MET  14  -7.235   7.275   7.102
   97    HE2  MET  14           HE2      MET  14  -7.192   6.712   5.416
   98    HE3  MET  14           HE3      MET  14  -5.841   7.659   6.080
   99    H    ASN  15           H        ASN  15  -6.700   9.139   0.042
  100    HA   ASN  15           HA       ASN  15  -7.485   6.271   0.117
  101    HB2  ASN  15           HB2      ASN  15  -8.664   8.679  -1.315
  102    HB3  ASN  15           HB3      ASN  15  -9.188   7.009  -1.581
  103   HD21  ASN  15          HD21      ASN  15  -9.098   9.676   0.778
  104   HD22  ASN  15          HD22      ASN  15 -10.281   8.977   1.862
  105    H    SER  16           H        SER  16  -5.591   8.654  -1.644
  106    HA   SER  16           HA       SER  16  -5.117   6.847  -3.891
  107    HB2  SER  16           HB2      SER  16  -3.546   8.618  -4.610
  108    HB3  SER  16           HB3      SER  16  -5.169   9.252  -4.257
  109    HG   SER  16           HG       SER  16  -3.532  10.529  -3.324
  110    H    ARG  17           H        ARG  17  -4.290   6.574  -0.774
  111    HA   ARG  17           HA       ARG  17  -1.484   5.717  -1.254
  112    HB2  ARG  17           HB2      ARG  17  -1.889   7.235   0.612
  113    HB3  ARG  17           HB3      ARG  17  -3.044   6.075   1.319
  114    HG2  ARG  17           HG2      ARG  17  -1.351   4.476   1.765
  115    HG3  ARG  17           HG3      ARG  17  -0.200   5.262   0.658
  116    HD2  ARG  17           HD2      ARG  17   0.398   5.677   2.994
  117    HD3  ARG  17           HD3      ARG  17   0.031   7.158   2.112
  118    HE   ARG  17           HE       ARG  17  -1.727   5.853   4.151
  119   HH11  ARG  17          HH11      ARG  17  -0.948   8.668   2.131
  120   HH12  ARG  17          HH12      ARG  17  -1.967   9.735   3.072
  121   HH21  ARG  17          HH21      ARG  17  -2.974   7.303   5.360
  122   HH22  ARG  17          HH22      ARG  17  -3.109   8.978   4.858
  123    H    VAL  18           H        VAL  18  -0.809   3.615  -0.613
  124    HA   VAL  18           HA       VAL  18  -2.988   1.618  -0.241
  125    HB   VAL  18           HB       VAL  18  -0.511   1.340  -1.993
  126   HG11  VAL  18          HG11      VAL  18  -1.550  -0.845  -2.584
  127   HG12  VAL  18          HG12      VAL  18  -1.057  -0.773  -0.882
  128   HG13  VAL  18          HG13      VAL  18  -2.772  -0.590  -1.315
  129   HG21  VAL  18          HG21      VAL  18  -2.243   2.708  -3.053
  130   HG22  VAL  18          HG22      VAL  18  -2.262   1.075  -3.774
  131   HG23  VAL  18          HG23      VAL  18  -3.492   1.527  -2.583
  132    H    PHE  19           H        PHE  19  -2.756   0.375   1.430
  133    HA   PHE  19           HA       PHE  19  -0.296   0.400   3.040
  134    HB2  PHE  19           HB2      PHE  19  -2.460   0.725   4.135
  135    HB3  PHE  19           HB3      PHE  19  -3.097  -0.726   3.379
  136    HD1  PHE  19           HD1      PHE  19   0.140  -0.138   5.232
  137    HD2  PHE  19           HD2      PHE  19  -3.621  -2.214   5.032
  138    HE1  PHE  19           HE1      PHE  19   0.781  -1.494   7.207
  139    HE2  PHE  19           HE2      PHE  19  -2.977  -3.567   7.012
  140    HZ   PHE  19           HZ       PHE  19  -0.779  -3.225   8.084
  141    H    ILE  20           H        ILE  20   1.148  -1.262   3.078
  142    HA   ILE  20           HA       ILE  20   0.415  -3.800   1.686
  143    HB   ILE  20           HB       ILE  20   3.080  -2.337   1.743
  144   HG12  ILE  20          HG12      ILE  20   1.416  -2.967  -0.722
  145   HG13  ILE  20          HG11      ILE  20   1.188  -1.473   0.192
  146   HG21  ILE  20          HG21      ILE  20   3.385  -4.804   1.766
  147   HG22  ILE  20          HG22      ILE  20   2.297  -4.962   0.379
  148   HG23  ILE  20          HG23      ILE  20   3.864  -4.140   0.206
  149   HD11  ILE  20          HD11      ILE  20   3.808  -2.403  -1.058
  150   HD12  ILE  20          HD12      ILE  20   2.754  -1.110  -1.657
  151   HD13  ILE  20          HD13      ILE  20   3.593  -0.925  -0.095
  152    H    GLY  21           H        GLY  21  -0.280  -4.622   3.702
  153    HA2  GLY  21           HA2      GLY  21   1.655  -4.838   5.907
  154    HA3  GLY  21           HA3      GLY  21  -0.000  -5.442   5.871
  155    H    ASN  22           H        ASN  22   1.731  -7.121   6.944
  156    HA   ASN  22           HA       ASN  22   2.724  -9.141   6.844
  157    HB2  ASN  22           HB2      ASN  22   0.285  -9.524   6.158
  158    HB3  ASN  22           HB3      ASN  22   0.877  -9.729   4.516
  159   HD21  ASN  22          HD21      ASN  22   2.010 -11.656   3.968
  160   HD22  ASN  22          HD22      ASN  22   2.077 -13.021   5.055
  161    H    LEU  23           H        LEU  23   4.251  -7.219   5.614
  162    HA   LEU  23           HA       LEU  23   5.270  -8.400   3.094
  163    HB2  LEU  23           HB2      LEU  23   4.713  -6.010   3.150
  164    HB3  LEU  23           HB3      LEU  23   5.805  -5.769   4.518
  165    HG   LEU  23           HG       LEU  23   7.736  -6.370   3.099
  166   HD11  LEU  23          HD11      LEU  23   7.429  -6.525   0.637
  167   HD12  LEU  23          HD12      LEU  23   6.661  -7.882   1.479
  168   HD13  LEU  23          HD13      LEU  23   5.668  -6.534   0.866
  169   HD21  LEU  23          HD21      LEU  23   7.701  -4.351   1.723
  170   HD22  LEU  23          HD22      LEU  23   5.928  -4.264   1.863
  171   HD23  LEU  23          HD23      LEU  23   6.943  -4.036   3.304
  172    H    ASN  24           H        ASN  24   7.474  -9.070   2.888
  173    HA   ASN  24           HA       ASN  24   8.512 -10.298   5.264
  174    HB2  ASN  24           HB2      ASN  24   8.779 -11.134   2.874
  175    HB3  ASN  24           HB3      ASN  24   9.913  -9.818   2.604
  176   HD21  ASN  24          HD21      ASN  24  11.841 -10.934   2.386
  177   HD22  ASN  24          HD22      ASN  24  12.506 -11.968   3.636
  178    H    THR  25           H        THR  25   9.314  -7.381   3.464
  179    HA   THR  25           HA       THR  25  10.721  -5.669   3.747
  180    HB   THR  25           HB       THR  25  10.710  -4.573   5.893
  181    HG1  THR  25           HG1      THR  25  10.919  -6.453   7.212
  182   HG21  THR  25          HG21      THR  25   8.058  -5.927   5.255
  183   HG22  THR  25          HG22      THR  25   8.259  -4.407   6.144
  184   HG23  THR  25          HG23      THR  25   8.722  -4.488   4.432
  185    H    LEU  26           H        LEU  26  11.926  -8.549   4.335
  186    HA   LEU  26           HA       LEU  26  14.535  -7.578   5.392
  187    HB2  LEU  26           HB2      LEU  26  13.079 -10.168   5.313
  188    HB3  LEU  26           HB3      LEU  26  14.825 -10.264   5.045
  189    HG   LEU  26           HG       LEU  26  15.269  -9.058   7.134
  190   HD11  LEU  26          HD11      LEU  26  12.260  -9.244   7.589
  191   HD12  LEU  26          HD12      LEU  26  13.462  -8.706   8.783
  192   HD13  LEU  26          HD13      LEU  26  13.171  -7.736   7.329
  193   HD21  LEU  26          HD21      LEU  26  14.596 -10.872   8.657
  194   HD22  LEU  26          HD22      LEU  26  13.420 -11.456   7.456
  195   HD23  LEU  26          HD23      LEU  26  15.158 -11.522   7.100
  196    H    VAL  27           H        VAL  27  12.914  -8.319   2.454
  197    HA   VAL  27           HA       VAL  27  15.537  -8.258   1.021
  198    HB   VAL  27           HB       VAL  27  13.091  -9.937   0.322
  199   HG11  VAL  27          HG11      VAL  27  15.816  -9.693  -1.034
  200   HG12  VAL  27          HG12      VAL  27  14.576 -10.900  -1.434
  201   HG13  VAL  27          HG13      VAL  27  14.248  -9.183  -1.713
  202   HG21  VAL  27          HG21      VAL  27  14.353 -10.884   2.210
  203   HG22  VAL  27          HG22      VAL  27  14.598 -11.857   0.750
  204   HG23  VAL  27          HG23      VAL  27  15.868 -10.732   1.291
  205    H    VAL  28           H        VAL  28  12.246  -7.102   1.345
  206    HA   VAL  28           HA       VAL  28  12.567  -5.531  -1.163
  207    HB   VAL  28           HB       VAL  28  10.124  -6.009   0.573
  208   HG11  VAL  28          HG11      VAL  28  10.438  -4.528  -2.074
  209   HG12  VAL  28          HG12      VAL  28   8.899  -4.895  -1.272
  210   HG13  VAL  28          HG13      VAL  28  10.046  -3.790  -0.498
  211   HG21  VAL  28          HG21      VAL  28  10.785  -7.993  -0.719
  212   HG22  VAL  28          HG22      VAL  28   9.356  -7.242  -1.463
  213   HG23  VAL  28          HG23      VAL  28  10.956  -7.003  -2.192
  214    H    LYS  29           H        LYS  29  12.770  -3.380  -1.176
  215    HA   LYS  29           HA       LYS  29  12.694  -1.876   1.401
  216    HB2  LYS  29           HB2      LYS  29  14.864  -1.808  -0.745
  217    HB3  LYS  29           HB3      LYS  29  14.672  -0.614   0.533
  218    HG2  LYS  29           HG2      LYS  29  16.306  -1.957   1.403
  219    HG3  LYS  29           HG3      LYS  29  14.853  -2.546   2.212
  220    HD2  LYS  29           HD2      LYS  29  16.318  -4.388   1.532
  221    HD3  LYS  29           HD3      LYS  29  14.789  -4.489   0.648
  222    HE2  LYS  29           HE2      LYS  29  15.857  -3.378  -1.301
  223    HE3  LYS  29           HE3      LYS  29  17.390  -3.315  -0.404
  224    HZ1  LYS  29           HZ1      LYS  29  17.279  -5.194  -1.891
  225    HZ2  LYS  29           HZ2      LYS  29  17.364  -5.711  -0.332
  226    HZ3  LYS  29           HZ3      LYS  29  15.931  -5.765  -1.145
  227    H    LYS  30           H        LYS  30  12.787   0.535   0.878
  228    HA   LYS  30           HA       LYS  30  10.494   1.202  -0.684
  229    HB2  LYS  30           HB2      LYS  30  11.156   3.525  -0.124
  230    HB3  LYS  30           HB3      LYS  30  11.135   2.425   1.270
  231    HG2  LYS  30           HG2      LYS  30  13.728   2.129   0.624
  232    HG3  LYS  30           HG3      LYS  30  13.486   3.731  -0.091
  233    HD2  LYS  30           HD2      LYS  30  12.774   2.877   2.741
  234    HD3  LYS  30           HD3      LYS  30  14.231   3.784   2.308
  235    HE2  LYS  30           HE2      LYS  30  11.362   4.736   1.887
  236    HE3  LYS  30           HE3      LYS  30  12.440   5.282   3.183
  237    HZ1  LYS  30           HZ1      LYS  30  13.925   6.135   1.507
  238    HZ2  LYS  30           HZ2      LYS  30  12.925   5.637   0.302
  239    HZ3  LYS  30           HZ3      LYS  30  12.437   6.812   1.343
  240    H    SER  31           H        SER  31  13.658   0.508  -1.698
  241    HA   SER  31           HA       SER  31  13.458   2.201  -4.124
  242    HB2  SER  31           HB2      SER  31  15.667   0.333  -3.183
  243    HB3  SER  31           HB3      SER  31  15.742   1.462  -4.557
  244    HG   SER  31           HG       SER  31  16.668   2.338  -2.649
  245    H    ASP  32           H        ASP  32  12.302  -0.745  -3.072
  246    HA   ASP  32           HA       ASP  32  12.425  -1.999  -5.775
  247    HB2  ASP  32           HB2      ASP  32  11.983  -3.080  -2.962
  248    HB3  ASP  32           HB3      ASP  32  11.739  -4.045  -4.406
  249    H    VAL  33           H        VAL  33  10.340  -0.959  -3.064
  250    HA   VAL  33           HA       VAL  33   7.862  -1.890  -4.121
  251    HB   VAL  33           HB       VAL  33   8.561   0.453  -2.313
  252   HG11  VAL  33          HG11      VAL  33   5.874  -0.904  -2.811
  253   HG12  VAL  33          HG12      VAL  33   6.212   0.337  -1.584
  254   HG13  VAL  33          HG13      VAL  33   6.313   0.749  -3.312
  255   HG21  VAL  33          HG21      VAL  33   9.206  -1.776  -1.434
  256   HG22  VAL  33          HG22      VAL  33   7.821  -1.119  -0.533
  257   HG23  VAL  33          HG23      VAL  33   7.569  -2.383  -1.758
  258    H    GLU  34           H        GLU  34   9.856   0.968  -4.800
  259    HA   GLU  34           HA       GLU  34   7.783   2.262  -6.373
  260    HB2  GLU  34           HB2      GLU  34   9.477   3.916  -6.884
  261    HB3  GLU  34           HB3      GLU  34   9.431   3.578  -5.143
  262    HG2  GLU  34           HG2      GLU  34  11.405   2.126  -5.338
  263    HG3  GLU  34           HG3      GLU  34  11.410   2.331  -7.094
  264    H    ALA  35           H        ALA  35   9.399  -0.503  -7.002
  265    HA   ALA  35           HA       ALA  35   9.405   0.034  -9.936
  266    HB1  ALA  35           HB1      ALA  35  11.698  -0.246  -9.073
  267    HB2  ALA  35           HB2      ALA  35  11.235  -1.813  -8.361
  268    HB3  ALA  35           HB3      ALA  35  11.229  -1.598 -10.126
  269    H    ILE  36           H        ILE  36   7.960  -1.609  -7.359
  270    HA   ILE  36           HA       ILE  36   7.004  -3.804  -9.146
  271    HB   ILE  36           HB       ILE  36   7.129  -3.554  -6.119
  272   HG12  ILE  36          HG12      ILE  36   8.589  -5.508  -7.938
  273   HG13  ILE  36          HG11      ILE  36   9.289  -3.957  -7.451
  274   HG21  ILE  36          HG21      ILE  36   5.145  -4.845  -6.789
  275   HG22  ILE  36          HG22      ILE  36   6.133  -5.843  -7.874
  276   HG23  ILE  36          HG23      ILE  36   6.363  -5.927  -6.112
  277   HD11  ILE  36          HD11      ILE  36   9.011  -4.589  -5.057
  278   HD12  ILE  36          HD12      ILE  36   8.453  -6.201  -5.577
  279   HD13  ILE  36          HD13      ILE  36  10.102  -5.665  -5.956
  280    H    PHE  37           H        PHE  37   6.039  -1.025  -7.172
  281    HA   PHE  37           HA       PHE  37   3.192  -1.637  -7.757
  282    HB2  PHE  37           HB2      PHE  37   4.548   0.137  -5.706
  283    HB3  PHE  37           HB3      PHE  37   2.819   0.173  -6.021
  284    HD1  PHE  37           HD1      PHE  37   5.594  -2.022  -4.865
  285    HD2  PHE  37           HD2      PHE  37   1.345  -1.443  -5.114
  286    HE1  PHE  37           HE1      PHE  37   5.246  -3.931  -3.318
  287    HE2  PHE  37           HE2      PHE  37   0.990  -3.360  -3.576
  288    HZ   PHE  37           HZ       PHE  37   2.937  -4.590  -2.664
  289    H    SER  38           H        SER  38   5.774   0.120  -9.011
  290    HA   SER  38           HA       SER  38   4.320   2.541  -9.714
  291    HB2  SER  38           HB2      SER  38   6.774   2.444  -9.366
  292    HB3  SER  38           HB3      SER  38   6.924   1.412 -10.808
  293    HG   SER  38           HG       SER  38   7.268   3.631 -11.264
  294    H    LYS  39           H        LYS  39   4.270  -0.671 -10.873
  295    HA   LYS  39           HA       LYS  39   3.710   0.001 -13.662
  296    HB2  LYS  39           HB2      LYS  39   3.495  -2.403 -13.926
  297    HB3  LYS  39           HB3      LYS  39   4.946  -2.014 -12.977
  298    HG2  LYS  39           HG2      LYS  39   3.456  -2.339 -10.887
  299    HG3  LYS  39           HG3      LYS  39   2.283  -3.095 -11.979
  300    HD2  LYS  39           HD2      LYS  39   5.185  -3.913 -11.597
  301    HD3  LYS  39           HD3      LYS  39   3.798  -4.754 -10.888
  302    HE2  LYS  39           HE2      LYS  39   4.327  -4.431 -13.876
  303    HE3  LYS  39           HE3      LYS  39   4.646  -5.894 -12.933
  304    HZ1  LYS  39           HZ1      LYS  39   1.998  -4.670 -13.330
  305    HZ2  LYS  39           HZ2      LYS  39   2.547  -6.038 -14.057
  306    HZ3  LYS  39           HZ3      LYS  39   2.296  -6.011 -12.432
  307    H    TYR  40           H        TYR  40   1.883  -0.021 -10.757
  308    HA   TYR  40           HA       TYR  40  -0.650  -0.418 -12.281
  309    HB2  TYR  40           HB2      TYR  40  -0.172  -0.408  -9.291
  310    HB3  TYR  40           HB3      TYR  40  -1.685  -0.801 -10.118
  311    HD1  TYR  40           HD1      TYR  40  -1.616  -2.789 -11.821
  312    HD2  TYR  40           HD2      TYR  40   1.340  -2.106  -8.770
  313    HE1  TYR  40           HE1      TYR  40  -0.887  -5.152 -12.007
  314    HE2  TYR  40           HE2      TYR  40   2.098  -4.453  -8.968
  315    HH   TYR  40           HH       TYR  40   1.720  -6.497  -9.951
  316    H    GLY  41           H        GLY  41   1.355   1.970 -10.788
  317    HA2  GLY  41           HA2      GLY  41  -0.302   4.062 -11.821
  318    HA3  GLY  41           HA3      GLY  41  -0.501   3.947 -10.064
  319    H    LYS  42           H        LYS  42   0.516   6.236 -11.276
  320    HA   LYS  42           HA       LYS  42   3.415   6.282 -11.169
  321    HB2  LYS  42           HB2      LYS  42   2.246   7.807 -12.628
  322    HB3  LYS  42           HB3      LYS  42   1.219   8.381 -11.306
  323    HG2  LYS  42           HG2      LYS  42   3.138   9.404 -10.184
  324    HG3  LYS  42           HG3      LYS  42   4.233   8.789 -11.446
  325    HD2  LYS  42           HD2      LYS  42   3.187  10.159 -13.127
  326    HD3  LYS  42           HD3      LYS  42   1.851  10.595 -12.033
  327    HE2  LYS  42           HE2      LYS  42   3.407  11.751 -10.542
  328    HE3  LYS  42           HE3      LYS  42   4.775  11.285 -11.574
  329    HZ1  LYS  42           HZ1      LYS  42   3.794  12.572 -13.346
  330    HZ2  LYS  42           HZ2      LYS  42   2.528  13.006 -12.394
  331    HZ3  LYS  42           HZ3      LYS  42   4.047  13.517 -12.025
  332    H    ILE  43           H        ILE  43   4.495   6.061  -9.317
  333    HA   ILE  43           HA       ILE  43   3.194   6.632  -6.765
  334    HB   ILE  43           HB       ILE  43   5.940   5.544  -7.484
  335   HG12  ILE  43          HG12      ILE  43   3.391   4.258  -6.419
  336   HG13  ILE  43          HG11      ILE  43   4.001   4.114  -8.075
  337   HG21  ILE  43          HG21      ILE  43   4.569   5.673  -4.760
  338   HG22  ILE  43          HG22      ILE  43   6.158   4.955  -5.119
  339   HG23  ILE  43          HG23      ILE  43   5.932   6.704  -5.255
  340   HD11  ILE  43          HD11      ILE  43   5.399   3.065  -5.579
  341   HD12  ILE  43          HD12      ILE  43   4.557   2.117  -6.810
  342   HD13  ILE  43          HD13      ILE  43   6.039   3.002  -7.246
  343    H    VAL  44           H        VAL  44   3.345   8.437  -5.634
  344    HA   VAL  44           HA       VAL  44   5.324  10.492  -6.494
  345    HB   VAL  44           HB       VAL  44   3.792  12.116  -5.468
  346   HG11  VAL  44          HG11      VAL  44   2.413  10.255  -7.460
  347   HG12  VAL  44          HG12      VAL  44   2.019  11.964  -7.162
  348   HG13  VAL  44          HG13      VAL  44   3.587  11.531  -7.871
  349   HG21  VAL  44          HG21      VAL  44   2.742  10.649  -3.772
  350   HG22  VAL  44          HG22      VAL  44   1.519  11.433  -4.788
  351   HG23  VAL  44          HG23      VAL  44   1.925   9.731  -5.065
  352    H    GLY  45           H        GLY  45   4.591   8.249  -4.036
  353    HA2  GLY  45           HA2      GLY  45   6.779   9.186  -2.390
  354    HA3  GLY  45           HA3      GLY  45   5.195   9.400  -1.619
  355    H    CYS  46           H        CYS  46   7.479   7.548  -0.957
  356    HA   CYS  46           HA       CYS  46   5.840   5.146  -0.627
  357    HB2  CYS  46           HB2      CYS  46   7.480   3.644  -1.650
  358    HB3  CYS  46           HB3      CYS  46   6.914   4.827  -2.846
  359    HG   CYS  46           HG       CYS  46   9.481   4.354  -3.159
  360    H    SER  47           H        SER  47   6.549   3.832   1.088
  361    HA   SER  47           HA       SER  47   9.109   4.393   2.380
  362    HB2  SER  47           HB2      SER  47   7.628   6.186   3.281
  363    HB3  SER  47           HB3      SER  47   6.494   4.937   3.850
  364    HG   SER  47           HG       SER  47   8.031   5.647   5.445
  365    H    VAL  48           H        VAL  48   9.863   2.590   3.355
  366    HA   VAL  48           HA       VAL  48   7.927   0.360   3.789
  367    HB   VAL  48           HB       VAL  48  10.904   0.269   3.221
  368   HG11  VAL  48          HG11      VAL  48   8.883  -1.973   3.683
  369   HG12  VAL  48          HG12      VAL  48  10.537  -2.198   3.074
  370   HG13  VAL  48          HG13      VAL  48  10.284  -1.582   4.713
  371   HG21  VAL  48          HG21      VAL  48  10.129  -0.868   1.144
  372   HG22  VAL  48          HG22      VAL  48   8.445  -0.548   1.613
  373   HG23  VAL  48          HG23      VAL  48   9.540   0.809   1.253
  374    H    HIS  49           H        HIS  49   8.044  -0.830   5.684
  375    HA   HIS  49           HA       HIS  49   9.597   0.332   7.943
  376    HB2  HIS  49           HB2      HIS  49   6.666  -0.475   7.957
  377    HB3  HIS  49           HB3      HIS  49   7.583   0.184   9.318
  378    HD2  HIS  49           HD2      HIS  49   6.158   1.268   5.866
  379    HE1  HIS  49           HE1      HIS  49   6.852   4.808   8.112
  380    HE2  HIS  49           HE2      HIS  49   5.878   3.871   5.958
  381    H    LYS  50           H        LYS  50   8.663  -1.494   9.893
  382    HA   LYS  50           HA       LYS  50   9.751  -4.028   8.801
  383    HB2  LYS  50           HB2      LYS  50   9.102  -3.164  11.649
  384    HB3  LYS  50           HB3      LYS  50   9.843  -4.706  11.187
  385    HG2  LYS  50           HG2      LYS  50  11.048  -1.946  10.714
  386    HG3  LYS  50           HG3      LYS  50  11.535  -3.102  11.966
  387    HD2  LYS  50           HD2      LYS  50  12.157  -4.743  10.195
  388    HD3  LYS  50           HD3      LYS  50  11.754  -3.528   8.956
  389    HE2  LYS  50           HE2      LYS  50  13.429  -1.990   9.912
  390    HE3  LYS  50           HE3      LYS  50  13.825  -3.184  11.159
  391    HZ1  LYS  50           HZ1      LYS  50  15.363  -3.263   9.329
  392    HZ2  LYS  50           HZ2      LYS  50  14.523  -4.675   9.406
  393    HZ3  LYS  50           HZ3      LYS  50  14.159  -3.559   8.254
  394    H    GLY  51           H        GLY  51   8.464  -5.513   8.048
  395    HA2  GLY  51           HA2      GLY  51   6.753  -7.057   8.023
  396    HA3  GLY  51           HA3      GLY  51   6.026  -6.276   9.434
  397    H    PHE  52           H        PHE  52   6.393  -3.661   7.508
  398    HA   PHE  52           HA       PHE  52   4.227  -4.209   5.610
  399    HB2  PHE  52           HB2      PHE  52   2.752  -2.505   6.430
  400    HB3  PHE  52           HB3      PHE  52   3.006  -3.728   7.665
  401    HD1  PHE  52           HD1      PHE  52   4.471  -3.209   9.655
  402    HD2  PHE  52           HD2      PHE  52   3.357  -0.215   6.773
  403    HE1  PHE  52           HE1      PHE  52   5.110  -1.431  11.257
  404    HE2  PHE  52           HE2      PHE  52   4.002   1.561   8.374
  405    HZ   PHE  52           HZ       PHE  52   4.885   0.954  10.615
  406    H    ALA  53           H        ALA  53   3.715  -2.223   4.307
  407    HA   ALA  53           HA       ALA  53   5.765  -0.106   4.286
  408    HB1  ALA  53           HB1      ALA  53   5.205  -1.938   1.921
  409    HB2  ALA  53           HB2      ALA  53   6.156  -0.437   1.854
  410    HB3  ALA  53           HB3      ALA  53   6.728  -1.808   2.830
  411    H    PHE  54           H        PHE  54   5.151   1.531   2.505
  412    HA   PHE  54           HA       PHE  54   2.231   1.690   2.021
  413    HB2  PHE  54           HB2      PHE  54   3.927   3.539   3.678
  414    HB3  PHE  54           HB3      PHE  54   2.686   4.243   2.648
  415    HD1  PHE  54           HD1      PHE  54   0.304   3.250   2.779
  416    HD2  PHE  54           HD2      PHE  54   3.287   2.759   5.843
  417    HE1  PHE  54           HE1      PHE  54  -1.477   2.795   4.441
  418    HE2  PHE  54           HE2      PHE  54   1.503   2.266   7.491
  419    HZ   PHE  54           HZ       PHE  54  -0.880   2.304   6.790
  420    H    VAL  55           H        VAL  55   1.657   2.797   0.202
  421    HA   VAL  55           HA       VAL  55   3.800   4.038  -1.451
  422    HB   VAL  55           HB       VAL  55   1.767   1.950  -2.356
  423   HG11  VAL  55          HG11      VAL  55   3.734   3.636  -3.967
  424   HG12  VAL  55          HG12      VAL  55   2.807   2.261  -4.599
  425   HG13  VAL  55          HG13      VAL  55   1.952   3.715  -4.057
  426   HG21  VAL  55          HG21      VAL  55   3.791   1.020  -1.303
  427   HG22  VAL  55          HG22      VAL  55   3.816   0.737  -3.061
  428   HG23  VAL  55          HG23      VAL  55   4.803   2.044  -2.351
  429    H    GLN  56           H        GLN  56   3.159   5.849  -2.515
  430    HA   GLN  56           HA       GLN  56   0.332   6.689  -2.095
  431    HB2  GLN  56           HB2      GLN  56   2.116   7.846  -0.716
  432    HB3  GLN  56           HB3      GLN  56   2.868   8.383  -2.218
  433    HG2  GLN  56           HG2      GLN  56   1.575  10.213  -1.478
  434    HG3  GLN  56           HG3      GLN  56   0.644   9.500  -2.800
  435   HE21  GLN  56          HE21      GLN  56  -1.516   9.400  -2.349
  436   HE22  GLN  56          HE22      GLN  56  -2.198   9.175  -0.757
  437    H    TYR  57           H        TYR  57  -0.803   7.166  -3.881
  438    HA   TYR  57           HA       TYR  57   0.654   7.398  -6.474
  439    HB2  TYR  57           HB2      TYR  57  -2.146   6.434  -5.812
  440    HB3  TYR  57           HB3      TYR  57  -1.544   6.720  -7.443
  441    HD1  TYR  57           HD1      TYR  57   0.937   5.605  -7.804
  442    HD2  TYR  57           HD2      TYR  57  -2.207   4.159  -5.247
  443    HE1  TYR  57           HE1      TYR  57   1.868   3.312  -7.961
  444    HE2  TYR  57           HE2      TYR  57  -1.270   1.863  -5.401
  445    HH   TYR  57           HH       TYR  57   1.611   1.128  -7.381
  446    H    VAL  58           H        VAL  58  -0.849   8.597  -8.136
  447    HA   VAL  58           HA       VAL  58  -1.163  11.307  -7.174
  448    HB   VAL  58           HB       VAL  58  -1.756   9.905  -9.805
  449   HG11  VAL  58          HG11      VAL  58  -1.955  12.868  -9.118
  450   HG12  VAL  58          HG12      VAL  58  -2.001  12.182 -10.765
  451   HG13  VAL  58          HG13      VAL  58  -3.292  11.804  -9.614
  452   HG21  VAL  58          HG21      VAL  58   0.197  11.209 -10.563
  453   HG22  VAL  58          HG22      VAL  58   0.384  11.893  -8.934
  454   HG23  VAL  58          HG23      VAL  58   0.625  10.147  -9.203
  455    H    ASN  59           H        ASN  59  -3.378   8.554  -7.760
  456    HA   ASN  59           HA       ASN  59  -5.410  10.054  -6.312
  457    HB2  ASN  59           HB2      ASN  59  -7.002  10.297  -7.925
  458    HB3  ASN  59           HB3      ASN  59  -5.535  10.612  -8.874
  459   HD21  ASN  59          HD21      ASN  59  -4.593   8.306  -9.768
  460   HD22  ASN  59          HD22      ASN  59  -5.815   7.367 -10.582
  461    H    GLU  60           H        GLU  60  -7.469   8.766  -6.076
  462    HA   GLU  60           HA       GLU  60  -6.893   6.351  -4.741
  463    HB2  GLU  60           HB2      GLU  60  -8.730   7.877  -4.245
  464    HB3  GLU  60           HB3      GLU  60  -9.500   7.501  -5.799
  465    HG2  GLU  60           HG2      GLU  60  -9.758   5.140  -5.098
  466    HG3  GLU  60           HG3      GLU  60  -8.988   5.511  -3.544
  467    H    ARG  61           H        ARG  61  -7.828   6.895  -8.157
  468    HA   ARG  61           HA       ARG  61  -8.722   4.232  -8.655
  469    HB2  ARG  61           HB2      ARG  61  -9.204   5.972 -10.244
  470    HB3  ARG  61           HB3      ARG  61  -7.491   6.396 -10.401
  471    HG2  ARG  61           HG2      ARG  61  -8.355   5.156 -12.359
  472    HG3  ARG  61           HG3      ARG  61  -6.980   4.364 -11.567
  473    HD2  ARG  61           HD2      ARG  61  -8.484   2.811 -10.436
  474    HD3  ARG  61           HD3      ARG  61  -9.901   3.645 -11.114
  475    HE   ARG  61           HE       ARG  61  -8.498   2.960 -13.353
  476   HH11  ARG  61          HH11      ARG  61  -9.520   1.094 -10.531
  477   HH12  ARG  61          HH12      ARG  61  -9.645  -0.407 -11.428
  478   HH21  ARG  61          HH21      ARG  61  -8.657   0.998 -14.489
  479   HH22  ARG  61          HH22      ARG  61  -9.158  -0.457 -13.660
  480    H    ASN  62           H        ASN  62  -5.465   5.736  -8.689
  481    HA   ASN  62           HA       ASN  62  -4.198   3.388  -9.778
  482    HB2  ASN  62           HB2      ASN  62  -3.245   5.857  -8.303
  483    HB3  ASN  62           HB3      ASN  62  -2.129   4.559  -8.808
  484   HD21  ASN  62          HD21      ASN  62  -2.823   3.788 -11.225
  485   HD22  ASN  62          HD22      ASN  62  -2.843   5.113 -12.372
  486    H    ALA  63           H        ALA  63  -5.188   4.369  -6.539
  487    HA   ALA  63           HA       ALA  63  -3.506   2.472  -5.148
  488    HB1  ALA  63           HB1      ALA  63  -6.102   3.832  -4.317
  489    HB2  ALA  63           HB2      ALA  63  -5.007   2.952  -3.234
  490    HB3  ALA  63           HB3      ALA  63  -4.449   4.440  -4.028
  491    H    ARG  64           H        ARG  64  -6.843   2.418  -6.452
  492    HA   ARG  64           HA       ARG  64  -7.440  -0.160  -5.293
  493    HB2  ARG  64           HB2      ARG  64  -8.808   1.414  -7.496
  494    HB3  ARG  64           HB3      ARG  64  -9.420  -0.093  -6.770
  495    HG2  ARG  64           HG2      ARG  64  -9.179   0.995  -4.500
  496    HG3  ARG  64           HG3      ARG  64  -8.815   2.523  -5.332
  497    HD2  ARG  64           HD2      ARG  64 -10.992   2.385  -6.495
  498    HD3  ARG  64           HD3      ARG  64 -11.370   0.897  -5.607
  499    HE   ARG  64           HE       ARG  64 -11.246   3.648  -4.552
  500   HH11  ARG  64          HH11      ARG  64 -11.536   0.205  -3.773
  501   HH12  ARG  64          HH12      ARG  64 -12.210   0.519  -2.186
  502   HH21  ARG  64          HH21      ARG  64 -12.154   3.999  -2.531
  503   HH22  ARG  64          HH22      ARG  64 -12.527   2.648  -1.473
  504    H    ALA  65           H        ALA  65  -5.738   0.869  -8.175
  505    HA   ALA  65           HA       ALA  65  -6.072  -1.663  -9.576
  506    HB1  ALA  65           HB1      ALA  65  -4.127   0.640  -9.988
  507    HB2  ALA  65           HB2      ALA  65  -4.432  -0.691 -11.132
  508    HB3  ALA  65           HB3      ALA  65  -5.720   0.479 -10.763
  509    H    ALA  66           H        ALA  66  -3.723  -0.209  -7.304
  510    HA   ALA  66           HA       ALA  66  -1.848  -2.423  -7.662
  511    HB1  ALA  66           HB1      ALA  66  -1.981  -0.181  -5.619
  512    HB2  ALA  66           HB2      ALA  66  -0.586  -1.246  -5.929
  513    HB3  ALA  66           HB3      ALA  66  -1.139  -0.113  -7.188
  514    H    VAL  67           H        VAL  67  -4.403  -1.460  -5.348
  515    HA   VAL  67           HA       VAL  67  -3.902  -3.527  -3.423
  516    HB   VAL  67           HB       VAL  67  -6.359  -1.933  -4.224
  517   HG11  VAL  67          HG11      VAL  67  -6.042  -3.876  -1.895
  518   HG12  VAL  67          HG12      VAL  67  -7.371  -2.708  -2.077
  519   HG13  VAL  67          HG13      VAL  67  -7.186  -4.023  -3.251
  520   HG21  VAL  67          HG21      VAL  67  -4.636  -1.877  -1.704
  521   HG22  VAL  67          HG22      VAL  67  -4.410  -0.773  -3.074
  522   HG23  VAL  67          HG23      VAL  67  -5.932  -0.737  -2.145
  523    H    ALA  68           H        ALA  68  -5.607  -3.474  -6.551
  524    HA   ALA  68           HA       ALA  68  -6.508  -6.254  -6.093
  525    HB1  ALA  68           HB1      ALA  68  -8.093  -4.617  -7.031
  526    HB2  ALA  68           HB2      ALA  68  -6.995  -4.332  -8.402
  527    HB3  ALA  68           HB3      ALA  68  -7.756  -5.926  -8.189
  528    H    GLY  69           H        GLY  69  -3.760  -4.668  -7.352
  529    HA2  GLY  69           HA2      GLY  69  -3.249  -6.771  -9.381
  530    HA3  GLY  69           HA3      GLY  69  -2.414  -5.226  -9.216
  531    H    GLU  70           H        GLU  70  -2.402  -6.068  -6.096
  532    HA   GLU  70           HA       GLU  70   0.037  -7.804  -6.312
  533    HB2  GLU  70           HB2      GLU  70  -0.276  -5.121  -4.936
  534    HB3  GLU  70           HB3      GLU  70   1.045  -6.245  -4.584
  535    HG2  GLU  70           HG2      GLU  70   0.459  -5.211  -7.381
  536    HG3  GLU  70           HG3      GLU  70   1.566  -4.414  -6.260
  537    H    ASP  71           H        ASP  71  -2.882  -6.923  -4.519
  538    HA   ASP  71           HA       ASP  71  -2.125  -8.043  -2.016
  539    HB2  ASP  71           HB2      ASP  71  -4.135  -6.696  -2.302
  540    HB3  ASP  71           HB3      ASP  71  -4.825  -7.908  -3.396
  541    H    GLY  72           H        GLY  72  -1.432 -10.071  -1.598
  542    HA2  GLY  72           HA2      GLY  72  -1.701 -12.399  -1.443
  543    HA3  GLY  72           HA3      GLY  72  -2.930 -12.346  -2.726
  544    H    ARG  73           H        ARG  73  -0.232 -10.478  -3.622
  545    HA   ARG  73           HA       ARG  73   0.783 -12.495  -5.459
  546    HB2  ARG  73           HB2      ARG  73   2.170 -10.800  -6.291
  547    HB3  ARG  73           HB3      ARG  73   0.664  -9.986  -5.862
  548    HG2  ARG  73           HG2      ARG  73   1.990  -8.531  -4.720
  549    HG3  ARG  73           HG3      ARG  73   2.107  -9.811  -3.496
  550    HD2  ARG  73           HD2      ARG  73   4.333  -9.070  -4.061
  551    HD3  ARG  73           HD3      ARG  73   4.133 -10.683  -4.782
  552    HE   ARG  73           HE       ARG  73   3.593  -8.230  -6.375
  553   HH11  ARG  73          HH11      ARG  73   5.583 -11.147  -5.940
  554   HH12  ARG  73          HH12      ARG  73   6.297 -11.002  -7.525
  555   HH21  ARG  73          HH21      ARG  73   4.528  -8.106  -8.396
  556   HH22  ARG  73          HH22      ARG  73   5.720  -9.280  -8.908
  557    H    MET  74           H        MET  74   3.316 -12.878  -5.334
  558    HA   MET  74           HA       MET  74   3.916 -13.460  -2.462
  559    HB2  MET  74           HB2      MET  74   3.386 -15.423  -3.869
  560    HB3  MET  74           HB3      MET  74   4.785 -15.043  -4.901
  561    HG2  MET  74           HG2      MET  74   6.320 -15.455  -3.167
  562    HG3  MET  74           HG3      MET  74   5.090 -15.285  -1.902
  563    HE1  MET  74           HE1      MET  74   3.092 -18.522  -1.908
  564    HE2  MET  74           HE2      MET  74   3.486 -16.990  -1.088
  565    HE3  MET  74           HE3      MET  74   2.678 -16.967  -2.666
  566    H    ILE  75           H        ILE  75   5.536 -12.369  -1.650
  567    HA   ILE  75           HA       ILE  75   7.749 -11.562  -3.463
  568    HB   ILE  75           HB       ILE  75   5.856  -9.880  -2.062
  569   HG12  ILE  75          HG12      ILE  75   8.213  -9.349  -3.911
  570   HG13  ILE  75          HG11      ILE  75   6.561  -9.746  -4.410
  571   HG21  ILE  75          HG21      ILE  75   8.785  -9.392  -1.388
  572   HG22  ILE  75          HG22      ILE  75   7.431  -8.283  -1.056
  573   HG23  ILE  75          HG23      ILE  75   7.504  -9.844  -0.233
  574   HD11  ILE  75          HD11      ILE  75   5.748  -7.643  -3.341
  575   HD12  ILE  75          HD12      ILE  75   7.426  -7.234  -2.899
  576   HD13  ILE  75          HD13      ILE  75   6.952  -7.345  -4.604
  577    H    ALA  76           H        ALA  76   9.783 -11.769  -2.685
  578    HA   ALA  76           HA       ALA  76  11.389 -12.848  -1.533
  579    HB1  ALA  76           HB1      ALA  76  11.054 -10.886  -0.062
  580    HB2  ALA  76           HB2      ALA  76   9.916 -11.854   0.922
  581    HB3  ALA  76           HB3      ALA  76  11.626 -12.326   0.813
  582    H    GLY  77           H        GLY  77   8.721 -14.276  -2.064
  583    HA2  GLY  77           HA2      GLY  77   8.275 -16.551  -1.936
  584    HA3  GLY  77           HA3      GLY  77   9.420 -16.708  -0.578
  585    H    GLN  78           H        GLN  78   7.406 -14.048   0.040
  586    HA   GLN  78           HA       GLN  78   5.460 -15.742   1.515
  587    HB2  GLN  78           HB2      GLN  78   7.116 -14.977   3.057
  588    HB3  GLN  78           HB3      GLN  78   7.079 -13.339   2.404
  589    HG2  GLN  78           HG2      GLN  78   4.409 -14.087   3.289
  590    HG3  GLN  78           HG3      GLN  78   5.580 -14.397   4.577
  591   HE21  GLN  78          HE21      GLN  78   5.256 -11.880   1.994
  592   HE22  GLN  78          HE22      GLN  78   5.390 -10.522   3.095
  593    H    VAL  79           H        VAL  79   3.373 -15.181   1.374
  594    HA   VAL  79           HA       VAL  79   2.414 -13.495  -0.708
  595    HB   VAL  79           HB       VAL  79   1.031 -14.659   1.746
  596   HG11  VAL  79          HG11      VAL  79  -0.088 -13.629  -0.890
  597   HG12  VAL  79          HG12      VAL  79  -1.021 -14.510   0.341
  598   HG13  VAL  79          HG13      VAL  79  -0.339 -12.921   0.732
  599   HG21  VAL  79          HG21      VAL  79   1.344 -15.732  -1.082
  600   HG22  VAL  79          HG22      VAL  79   2.093 -16.407   0.391
  601   HG23  VAL  79          HG23      VAL  79   0.334 -16.460   0.187
  602    H    LEU  80           H        LEU  80   1.605 -11.435  -0.739
  603    HA   LEU  80           HA       LEU  80   1.984  -9.831   1.729
  604    HB2  LEU  80           HB2      LEU  80   1.311  -8.877  -1.073
  605    HB3  LEU  80           HB3      LEU  80   1.778  -7.886   0.316
  606    HG   LEU  80           HG       LEU  80   3.515  -9.877  -1.189
  607   HD11  LEU  80          HD11      LEU  80   3.261  -7.693  -2.250
  608   HD12  LEU  80          HD12      LEU  80   3.610  -6.867  -0.710
  609   HD13  LEU  80          HD13      LEU  80   4.886  -7.804  -1.513
  610   HD21  LEU  80          HD21      LEU  80   4.011 -10.067   1.213
  611   HD22  LEU  80          HD22      LEU  80   5.311  -9.207   0.379
  612   HD23  LEU  80          HD23      LEU  80   4.110  -8.293   1.344
  613    H    ASP  81           H        ASP  81   0.380  -8.346   2.449
  614    HA   ASP  81           HA       ASP  81  -2.409  -8.986   1.616
  615    HB2  ASP  81           HB2      ASP  81  -1.866  -9.990   3.832
  616    HB3  ASP  81           HB3      ASP  81  -1.424  -8.384   4.433
  617    H    ILE  82           H        ILE  82  -2.887  -7.260   0.393
  618    HA   ILE  82           HA       ILE  82  -1.863  -4.588   1.232
  619    HB   ILE  82           HB       ILE  82  -2.269  -5.826  -1.491
  620   HG12  ILE  82          HG12      ILE  82   0.206  -4.598  -0.230
  621   HG13  ILE  82          HG11      ILE  82  -0.213  -6.293   0.066
  622   HG21  ILE  82          HG21      ILE  82  -1.415  -2.982  -0.790
  623   HG22  ILE  82          HG22      ILE  82  -1.463  -3.688  -2.419
  624   HG23  ILE  82          HG23      ILE  82  -2.969  -3.428  -1.526
  625   HD11  ILE  82          HD11      ILE  82  -0.153  -6.817  -2.264
  626   HD12  ILE  82          HD12      ILE  82   0.177  -5.112  -2.693
  627   HD13  ILE  82          HD13      ILE  82   1.382  -6.062  -1.784
  628    H    ASN  83           H        ASN  83  -3.277  -2.833   1.214
  629    HA   ASN  83           HA       ASN  83  -6.094  -3.289   0.472
  630    HB2  ASN  83           HB2      ASN  83  -5.632  -4.257   2.788
  631    HB3  ASN  83           HB3      ASN  83  -5.357  -2.593   3.331
  632   HD21  ASN  83          HD21      ASN  83  -7.197  -1.052   3.108
  633   HD22  ASN  83          HD22      ASN  83  -8.825  -1.687   3.120
  634    H    LEU  84           H        LEU  84  -7.315  -1.303   0.358
  635    HA   LEU  84           HA       LEU  84  -5.960   1.110  -0.175
  636    HB2  LEU  84           HB2      LEU  84  -8.319   0.194  -0.761
  637    HB3  LEU  84           HB3      LEU  84  -8.822   0.772   0.816
  638    HG   LEU  84           HG       LEU  84  -9.412   2.265  -1.023
  639   HD11  LEU  84          HD11      LEU  84  -7.305   3.611   0.708
  640   HD12  LEU  84          HD12      LEU  84  -8.694   4.363  -0.096
  641   HD13  LEU  84          HD13      LEU  84  -8.972   3.230   1.232
  642   HD21  LEU  84          HD21      LEU  84  -7.459   1.750  -2.482
  643   HD22  LEU  84          HD22      LEU  84  -7.749   3.492  -2.296
  644   HD23  LEU  84          HD23      LEU  84  -6.427   2.724  -1.400
  645    H    ALA  85           H        ALA  85  -5.240   2.752   1.197
  646    HA   ALA  85           HA       ALA  85  -4.809   2.040   3.916
  647    HB1  ALA  85           HB1      ALA  85  -4.421   4.706   2.522
  648    HB2  ALA  85           HB2      ALA  85  -3.686   4.214   4.057
  649    HB3  ALA  85           HB3      ALA  85  -3.242   3.367   2.552
  650    H    ALA  86           H        ALA  86  -7.729   3.121   2.727
  651    HA   ALA  86           HA       ALA  86  -8.345   4.457   5.317
  652    HB1  ALA  86           HB1      ALA  86  -9.339   5.310   2.571
  653    HB2  ALA  86           HB2      ALA  86  -9.731   6.083   4.126
  654    HB3  ALA  86           HB3      ALA  86  -8.064   6.130   3.499
  655    H    GLU  87           H        GLU  87  -8.907   1.756   3.555
  656    HA   GLU  87           HA       GLU  87 -11.590   1.445   4.761
  657    HB2  GLU  87           HB2      GLU  87 -10.933   0.813   1.853
  658    HB3  GLU  87           HB3      GLU  87 -12.409   0.327   2.708
  659    HG2  GLU  87           HG2      GLU  87 -12.873   2.749   3.177
  660    HG3  GLU  87           HG3      GLU  87 -11.500   3.172   2.137
  661    HA   PRO  88           HA       PRO  88  -8.417  -1.982   5.414
  662    HB2  PRO  88           HB2      PRO  88  -8.894  -2.246   8.134
  663    HB3  PRO  88           HB3      PRO  88  -7.663  -1.173   7.414
  664    HG2  PRO  88           HG2      PRO  88 -10.470  -0.458   8.295
  665    HG3  PRO  88           HG3      PRO  88  -8.938   0.418   8.634
  666    HD2  PRO  88           HD2      PRO  88 -10.576   1.229   6.653
  667    HD3  PRO  88           HD3      PRO  88  -8.801   1.212   6.398
  668    H    LYS  89           H        LYS  89  -8.902  -4.172   5.657
  669    HA   LYS  89           HA       LYS  89 -11.472  -4.827   4.675
  670    HB2  LYS  89           HB2      LYS  89 -10.615  -7.239   5.181
  671    HB3  LYS  89           HB3      LYS  89  -9.896  -6.245   3.905
  672    HG2  LYS  89           HG2      LYS  89  -8.002  -5.666   5.294
  673    HG3  LYS  89           HG3      LYS  89  -8.724  -6.476   6.709
  674    HD2  LYS  89           HD2      LYS  89  -7.003  -7.890   5.681
  675    HD3  LYS  89           HD3      LYS  89  -8.599  -8.644   5.518
  676    HE2  LYS  89           HE2      LYS  89  -8.767  -7.805   3.198
  677    HE3  LYS  89           HE3      LYS  89  -7.205  -6.987   3.365
  678    HZ1  LYS  89           HZ1      LYS  89  -6.169  -9.115   3.639
  679    HZ2  LYS  89           HZ2      LYS  89  -7.613  -9.899   3.570
  680    HZ3  LYS  89           HZ3      LYS  89  -7.034  -9.112   2.250
  681    H    VAL  90           H        VAL  90 -10.196  -6.398   7.667
  682    HA   VAL  90           HA       VAL  90 -12.765  -5.701   8.974
  683    HB   VAL  90           HB       VAL  90 -11.830  -8.578   8.669
  684   HG11  VAL  90          HG11      VAL  90 -13.957  -9.092   9.816
  685   HG12  VAL  90          HG12      VAL  90 -12.934  -8.071  10.843
  686   HG13  VAL  90          HG13      VAL  90 -14.304  -7.352   9.967
  687   HG21  VAL  90          HG21      VAL  90 -14.235  -7.146   7.473
  688   HG22  VAL  90          HG22      VAL  90 -12.839  -7.800   6.574
  689   HG23  VAL  90          HG23      VAL  90 -13.948  -8.897   7.414
  690    H    ASN  91           H        ASN  91  -9.571  -7.367   9.295
  691    HA   ASN  91           HA       ASN  91  -9.639  -6.550  12.161
  692    HB2  ASN  91           HB2      ASN  91  -8.643  -9.210  11.078
  693    HB3  ASN  91           HB3      ASN  91  -8.630  -8.705  12.773
  694   HD21  ASN  91          HD21      ASN  91 -10.489 -10.049  10.179
  695   HD22  ASN  91          HD22      ASN  91 -11.977 -10.294  11.075
  696    H    ARG  92           H        ARG  92  -8.088  -5.985   9.370
  697    HA   ARG  92           HA       ARG  92  -6.042  -5.385   8.658
  698    HB2  ARG  92           HB2      ARG  92  -6.230  -3.897  10.683
  699    HB3  ARG  92           HB3      ARG  92  -5.246  -5.088  11.564
  700    HG2  ARG  92           HG2      ARG  92  -3.507  -4.874   9.721
  701    HG3  ARG  92           HG3      ARG  92  -4.449  -3.513   9.086
  702    HD2  ARG  92           HD2      ARG  92  -3.206  -3.753  11.854
  703    HD3  ARG  92           HD3      ARG  92  -2.606  -2.743  10.529
  704    HE   ARG  92           HE       ARG  92  -5.259  -1.942  10.981
  705   HH11  ARG  92          HH11      ARG  92  -2.193  -2.031  12.738
  706   HH12  ARG  92          HH12      ARG  92  -2.607  -0.685  13.772
  707   HH21  ARG  92          HH21      ARG  92  -5.774  -0.176  12.335
  708   HH22  ARG  92          HH22      ARG  92  -4.613   0.386  13.518
  709    H    GLY  93           H        GLY  93  -6.022  -7.908  11.165
  710    HA2  GLY  93           HA2      GLY  93  -4.925  -9.936  11.163
  711    HA3  GLY  93           HA3      GLY  93  -4.195  -9.535   9.596
  712    H    LYS  94           H        LYS  94  -2.567 -10.806  11.232
  713    HA   LYS  94           HA       LYS  94  -0.611  -8.720  12.015
  714    HB2  LYS  94           HB2      LYS  94  -1.962  -9.373  14.026
  715    HB3  LYS  94           HB3      LYS  94  -1.360 -11.039  13.828
  716    HG2  LYS  94           HG2      LYS  94   0.932 -10.304  14.098
  717    HG3  LYS  94           HG3      LYS  94   0.444  -8.598  14.017
  718    HD2  LYS  94           HD2      LYS  94   0.880  -9.239  16.349
  719    HD3  LYS  94           HD3      LYS  94  -0.832  -8.843  16.106
  720    HE2  LYS  94           HE2      LYS  94  -0.653 -10.828  17.496
  721    HE3  LYS  94           HE3      LYS  94  -1.355 -11.268  15.933
  722    HZ1  LYS  94           HZ1      LYS  94   0.342 -12.817  16.627
  723    HZ2  LYS  94           HZ2      LYS  94   0.833 -12.043  15.262
  724    HZ3  LYS  94           HZ3      LYS  94   1.463 -11.624  16.722
  725    H    ALA  95           H        ALA  95  -1.383 -12.107  11.190
  726    HA   ALA  95           HA       ALA  95   1.236 -12.406   9.936
  727    HB1  ALA  95           HB1      ALA  95   0.392 -14.142  12.296
  728    HB2  ALA  95           HB2      ALA  95   1.813 -14.420  11.261
  729    HB3  ALA  95           HB3      ALA  95   1.724 -12.972  12.296
  730    H    GLY  96           H        GLY  96   1.343 -14.379   8.648
  731    HA2  GLY  96           HA2      GLY  96  -1.240 -15.213   7.576
  732    HA3  GLY  96           HA3      GLY  96   0.373 -15.747   7.057
  733    H    VAL  97           H        VAL  97   0.616 -16.172  10.255
  734    HA   VAL  97           HA       VAL  97  -0.056 -19.026  10.088
  735    HB   VAL  97           HB       VAL  97   1.310 -17.385  12.257
  736   HG11  VAL  97          HG11      VAL  97   2.098 -19.601  13.065
  737   HG12  VAL  97          HG12      VAL  97   0.333 -19.440  13.178
  738   HG13  VAL  97          HG13      VAL  97   1.062 -20.397  11.860
  739   HG21  VAL  97          HG21      VAL  97   3.375 -18.459  11.387
  740   HG22  VAL  97          HG22      VAL  97   2.417 -19.217  10.092
  741   HG23  VAL  97          HG23      VAL  97   2.599 -17.448  10.148
  742    H    LYS  98           H        LYS  98  -1.607 -20.061  11.306
  743    HA   LYS  98           HA       LYS  98  -3.504 -18.309  12.802
  744    HB2  LYS  98           HB2      LYS  98  -4.177 -20.644  10.982
  745    HB3  LYS  98           HB3      LYS  98  -5.334 -19.636  11.866
  746    HG2  LYS  98           HG2      LYS  98  -3.445 -18.650   9.681
  747    HG3  LYS  98           HG3      LYS  98  -5.163 -19.020   9.470
  748    HD2  LYS  98           HD2      LYS  98  -5.785 -17.246  11.048
  749    HD3  LYS  98           HD3      LYS  98  -4.078 -16.897  11.370
  750    HE2  LYS  98           HE2      LYS  98  -4.916 -15.278   9.771
  751    HE3  LYS  98           HE3      LYS  98  -3.751 -16.337   8.965
  752    HZ1  LYS  98           HZ1      LYS  98  -5.603 -17.581   8.061
  753    HZ2  LYS  98           HZ2      LYS  98  -6.680 -16.602   8.823
  754    HZ3  LYS  98           HZ3      LYS  98  -5.717 -15.993   7.640
  755    H    ARG  99           H        ARG  99  -1.227 -20.123  13.666
  756    HA   ARG  99           HA       ARG  99  -2.799 -21.774  15.598
  757    HB2  ARG  99           HB2      ARG  99  -1.019 -23.443  15.494
  758    HB3  ARG  99           HB3      ARG  99  -1.950 -23.273  13.985
  759    HG2  ARG  99           HG2      ARG  99  -0.165 -22.041  12.941
  760    HG3  ARG  99           HG3      ARG  99   0.746 -21.951  14.474
  761    HD2  ARG  99           HD2      ARG  99   0.816 -24.403  14.582
  762    HD3  ARG  99           HD3      ARG  99  -0.093 -24.518  13.066
  763    HE   ARG  99           HE       ARG  99   2.153 -22.970  12.455
  764   HH11  ARG  99          HH11      ARG  99   1.576 -26.215  13.743
  765   HH12  ARG  99          HH12      ARG  99   3.037 -26.876  13.050
  766   HH21  ARG  99          HH21      ARG  99   4.061 -23.858  11.576
  767   HH22  ARG  99          HH22      ARG  99   4.445 -25.545  11.829
  768    H    SER 100           H        SER 100  -1.328 -22.472  17.464
  769    HA   SER 100           HA       SER 100  -0.349 -20.227  18.889
  770    HB2  SER 100           HB2      SER 100   0.114 -23.219  19.174
  771    HB3  SER 100           HB3      SER 100   0.575 -22.032  20.400
  772    HG   SER 100           HG       SER 100  -1.635 -21.429  20.526
  773    H    ALA 101           H        ALA 101   1.107 -22.085  16.391
  774    HA   ALA 101           HA       ALA 101   3.160 -22.353  15.568
  775    HB1  ALA 101           HB1      ALA 101   3.652 -19.599  16.761
  776    HB2  ALA 101           HB2      ALA 101   4.584 -20.361  15.452
  777    HB3  ALA 101           HB3      ALA 101   2.877 -19.935  15.198
  778    H    ALA 102           H        ALA 102   2.648 -22.996  18.563
  779    HA   ALA 102           HA       ALA 102   5.437 -23.763  19.138
  780    HB1  ALA 102           HB1      ALA 102   3.603 -22.342  21.107
  781    HB2  ALA 102           HB2      ALA 102   5.209 -23.014  21.477
  782    HB3  ALA 102           HB3      ALA 102   5.060 -21.649  20.349
  783    H    GLU 103           H        GLU 103   2.568 -24.857  18.364
  784    HA   GLU 103           HA       GLU 103   1.716 -26.460  20.564
  785    HB2  GLU 103           HB2      GLU 103   0.264 -27.519  18.922
  786    HB3  GLU 103           HB3      GLU 103   0.270 -25.760  18.684
  787    HG2  GLU 103           HG2      GLU 103   1.954 -26.046  16.851
  788    HG3  GLU 103           HG3      GLU 103   1.872 -27.798  17.074
  789    H    MET 104           H        MET 104   4.468 -26.736  18.644
  790    HA   MET 104           HA       MET 104   4.573 -29.701  18.826
  791    HB2  MET 104           HB2      MET 104   6.266 -27.712  17.279
  792    HB3  MET 104           HB3      MET 104   6.439 -29.477  17.217
  793    HG2  MET 104           HG2      MET 104   4.154 -29.699  16.362
  794    HG3  MET 104           HG3      MET 104   3.924 -27.949  16.457
  795    HE1  MET 104           HE1      MET 104   6.183 -26.509  13.676
  796    HE2  MET 104           HE2      MET 104   4.944 -26.193  14.913
  797    HE3  MET 104           HE3      MET 104   6.582 -26.691  15.397
  798    H    TYR 105           H        TYR 105   5.366 -27.139  20.755
  799    HA   TYR 105           HA       TYR 105   7.759 -28.541  21.825
  800    HB2  TYR 105           HB2      TYR 105   7.489 -25.531  21.598
  801    HB3  TYR 105           HB3      TYR 105   8.904 -26.445  22.126
  802    HD1  TYR 105           HD1      TYR 105  10.091 -27.942  20.412
  803    HD2  TYR 105           HD2      TYR 105   7.130 -25.021  19.344
  804    HE1  TYR 105           HE1      TYR 105  10.889 -28.005  18.061
  805    HE2  TYR 105           HE2      TYR 105   7.921 -25.065  16.988
  806    HH   TYR 105           HH       TYR 105  10.631 -27.169  15.942
  807    H    GLY 106           H        GLY 106   4.649 -27.636  22.430
  808    HA2  GLY 106           HA2      GLY 106   4.811 -26.422  25.029
  809    HA3  GLY 106           HA3      GLY 106   3.406 -27.226  24.311
  810    H5'    U   1           H5'        U   1   3.676  -7.142   9.543
  811   H5''    U   1          H5''        U   1   3.883  -6.236  11.060
  812    H4'    U   1           H4'        U   1   2.974  -4.706   9.491
  813    H3'    U   1           H3'        U   1   1.646  -5.211  11.840
  814    H2'    U   1           H2'        U   1   0.076  -6.741  10.930
  815   HO2'    U   1          HO2'        U   1  -0.947  -4.477  11.523
  816    H1'    U   1           H1'        U   1  -0.193  -4.996   8.485
  817    H3     U   1           H3         U   1  -2.910  -7.902   6.369
  818    H5     U   1           H5         U   1  -0.639 -10.408   8.859
  819    H6     U   1           H6         U   1   0.565  -8.452   9.631
  820    H5'    U   2           H5'        U   2  -1.163  -1.111  10.520
  821   H5''    U   2          H5''        U   2   0.153  -1.294   9.341
  822    H4'    U   2           H4'        U   2   0.898   1.067  10.002
  823    H3'    U   2           H3'        U   2  -0.847   0.866  12.110
  824    H2'    U   2           H2'        U   2  -2.731   0.393  10.722
  825   HO2'    U   2          HO2'        U   2  -4.036   2.281  10.829
  826    H1'    U   2           H1'        U   2  -1.876   2.750   9.026
  827    H3     U   2           H3         U   2  -5.206   2.492   6.055
  828    H5     U   2           H5         U   2  -4.985  -1.447   7.512
  829    H6     U   2           H6         U   2  -3.145  -0.769   8.924
  830    H5'    U   3           H5'        U   3   2.482   2.115  10.368
  831   H5''    U   3          H5''        U   3   3.451   2.521  11.798
  832    H4'    U   3           H4'        U   3   4.801   3.174  10.005
  833    H3'    U   3           H3'        U   3   3.971   5.127  11.740
  834    H2'    U   3           H2'        U   3   2.183   5.968  10.433
  835   HO2'    U   3          HO2'        U   3   4.068   7.582  10.533
  836    H1'    U   3           H1'        U   3   3.757   5.703   7.889
  837    H3     U   3           H3         U   3   0.204   6.618   5.336
  838    H5     U   3           H5         U   3  -1.537   4.764   8.688
  839    H6     U   3           H6         U   3   0.687   4.489   9.613
  840    H5'    U   4           H5'        U   4   8.045   4.778   9.922
  841   H5''    U   4          H5''        U   4   9.058   5.379  11.240
  842    H4'    U   4           H4'        U   4  10.304   5.188   9.119
  843    H3'    U   4           H3'        U   4  10.448   7.327  10.867
  844    H2'    U   4           H2'        U   4   8.912   8.713   9.715
  845   HO2'    U   4          HO2'        U   4  11.455   9.171   8.534
  846    H1'    U   4           H1'        U   4  10.037   7.888   7.039
  847    H3     U   4           H3         U   4   7.119  11.171   5.755
  848    H5     U   4           H5         U   4   4.708   8.243   7.560
  849    H6     U   4           H6         U   4   6.716   7.102   8.264
  850    H5'    C   5           H5'        C   5  13.510   8.919  10.723
  851   H5''    C   5          H5''        C   5  14.945   7.971  11.164
  852    H4'    C   5           H4'        C   5  12.861   8.985  13.151
  853    H3'    C   5           H3'        C   5  14.623  10.633  11.813
  854    H2'    C   5           H2'        C   5  16.575   9.391  12.486
  855   HO2'    C   5          HO2'        C   5  16.896  11.562  13.152
  856    H1'    C   5           H1'        C   5  15.267   9.285  15.224
  857    H41    C   5           H41        C   5  20.332   4.965  14.973
  858    H42    C   5           H42        C   5  20.485   5.768  16.524
  859    H5     C   5           H5         C   5  18.996   7.583  17.221
  860    H6     C   5           H6         C   5  17.075   8.910  16.573
  Start of MODEL   17
    1    H1   ALA   2           H1       ALA   2  11.770   8.256  -4.599
    2    H2   ALA   2           H2       ALA   2  10.704   7.631  -3.501
    3    H3   ALA   2           H3       ALA   2  10.750   7.033  -5.044
    4    HA   ALA   2           HA       ALA   2   9.994   9.105  -5.936
    5    HB1  ALA   2           HB1      ALA   2   8.209   7.955  -3.764
    6    HB2  ALA   2           HB2      ALA   2   7.680   9.013  -5.094
    7    HB3  ALA   2           HB3      ALA   2   8.326   7.405  -5.451
    8    H    SER   3           H        SER   3   9.063   9.325  -2.461
    9    HA   SER   3           HA       SER   3  10.379  11.977  -2.307
   10    HB2  SER   3           HB2      SER   3   7.408  11.529  -1.817
   11    HB3  SER   3           HB3      SER   3   8.299  13.025  -1.475
   12    HG   SER   3           HG       SER   3   7.233  13.020  -3.525
   13    H    ASN   4           H        ASN   4   9.804   9.005  -0.897
   14    HA   ASN   4           HA       ASN   4   9.950   8.140   1.163
   15    HB2  ASN   4           HB2      ASN   4  12.187   9.234   0.873
   16    HB3  ASN   4           HB3      ASN   4  11.594  10.595   1.839
   17   HD21  ASN   4          HD21      ASN   4  13.446  10.013   3.245
   18   HD22  ASN   4          HD22      ASN   4  13.217   8.753   4.441
   19    H    VAL   5           H        VAL   5   7.622   9.905   0.656
   20    HA   VAL   5           HA       VAL   5   6.872  10.289   3.503
   21    HB   VAL   5           HB       VAL   5   6.457  12.291   1.251
   22   HG11  VAL   5          HG11      VAL   5   5.401  12.351   4.108
   23   HG12  VAL   5          HG12      VAL   5   5.261  13.659   2.910
   24   HG13  VAL   5          HG13      VAL   5   4.410  12.130   2.643
   25   HG21  VAL   5          HG21      VAL   5   7.700  13.800   2.764
   26   HG22  VAL   5          HG22      VAL   5   7.872  12.471   3.944
   27   HG23  VAL   5          HG23      VAL   5   8.672  12.374   2.361
   28    H    THR   6           H        THR   6   4.882   9.544   3.997
   29    HA   THR   6           HA       THR   6   2.962   8.926   1.845
   30    HB   THR   6           HB       THR   6   2.716   6.585   2.603
   31    HG1  THR   6           HG1      THR   6   3.562   6.751   4.677
   32   HG21  THR   6          HG21      THR   6   5.598   7.176   1.847
   33   HG22  THR   6          HG22      THR   6   4.708   5.651   1.620
   34   HG23  THR   6          HG23      THR   6   4.222   7.089   0.702
   35    H    ASN   7           H        ASN   7   3.416  10.375   4.768
   36    HA   ASN   7           HA       ASN   7   0.887   9.298   5.900
   37    HB2  ASN   7           HB2      ASN   7   2.919   9.091   7.275
   38    HB3  ASN   7           HB3      ASN   7   3.112  10.852   7.254
   39   HD21  ASN   7          HD21      ASN   7   3.054   9.968   9.671
   40   HD22  ASN   7          HD22      ASN   7   1.494  10.143  10.450
   41    H    LYS   8           H        LYS   8  -0.659  10.416   4.860
   42    HA   LYS   8           HA       LYS   8  -0.999  13.235   5.681
   43    HB2  LYS   8           HB2      LYS   8  -1.272  12.220   2.827
   44    HB3  LYS   8           HB3      LYS   8  -1.881  13.784   3.415
   45    HG2  LYS   8           HG2      LYS   8   0.442  14.367   4.148
   46    HG3  LYS   8           HG3      LYS   8   1.029  12.879   3.376
   47    HD2  LYS   8           HD2      LYS   8  -0.490  15.110   1.965
   48    HD3  LYS   8           HD3      LYS   8   1.276  14.922   1.953
   49    HE2  LYS   8           HE2      LYS   8   1.033  12.695   0.894
   50    HE3  LYS   8           HE3      LYS   8  -0.728  12.880   0.909
   51    HZ1  LYS   8           HZ1      LYS   8  -0.463  14.812  -0.508
   52    HZ2  LYS   8           HZ2      LYS   8   1.169  14.621  -0.529
   53    HZ3  LYS   8           HZ3      LYS   8   0.203  13.485  -1.214
   54    H    THR   9           H        THR   9  -3.248  13.804   5.898
   55    HA   THR   9           HA       THR   9  -5.003  11.395   6.000
   56    HB   THR   9           HB       THR   9  -6.007  12.374   8.029
   57    HG1  THR   9           HG1      THR   9  -4.889  14.094   9.007
   58   HG21  THR   9          HG21      THR   9  -4.165  11.850   9.544
   59   HG22  THR   9          HG22      THR   9  -4.171  10.712   8.183
   60   HG23  THR   9          HG23      THR   9  -2.986  12.040   8.224
   61    H    ASP  10           H        ASP  10  -4.654  13.825   4.017
   62    HA   ASP  10           HA       ASP  10  -7.120  15.254   4.155
   63    HB2  ASP  10           HB2      ASP  10  -5.318  14.614   1.794
   64    HB3  ASP  10           HB3      ASP  10  -6.621  15.804   1.769
   65    HA   PRO  11           HA       PRO  11 -10.087  12.343   2.955
   66    HB2  PRO  11           HB2      PRO  11 -11.939  13.810   1.563
   67    HB3  PRO  11           HB3      PRO  11 -11.629  14.034   3.311
   68    HG2  PRO  11           HG2      PRO  11 -10.428  15.601   1.008
   69    HG3  PRO  11           HG3      PRO  11 -11.263  16.248   2.464
   70    HD2  PRO  11           HD2      PRO  11  -8.564  16.080   2.377
   71    HD3  PRO  11           HD3      PRO  11  -9.437  15.625   3.869
   72    H    ARG  12           H        ARG  12  -7.945  13.472   0.658
   73    HA   ARG  12           HA       ARG  12  -8.992  11.503  -1.323
   74    HB2  ARG  12           HB2      ARG  12  -9.058  14.215  -1.725
   75    HB3  ARG  12           HB3      ARG  12  -7.471  13.827  -2.394
   76    HG2  ARG  12           HG2      ARG  12 -10.112  12.494  -3.131
   77    HG3  ARG  12           HG3      ARG  12  -9.300  13.747  -4.074
   78    HD2  ARG  12           HD2      ARG  12  -7.337  12.224  -4.368
   79    HD3  ARG  12           HD3      ARG  12  -8.227  10.956  -3.510
   80    HE   ARG  12           HE       ARG  12  -9.618  10.638  -5.340
   81   HH11  ARG  12          HH11      ARG  12  -7.541  13.449  -5.883
   82   HH12  ARG  12          HH12      ARG  12  -7.967  13.583  -7.574
   83   HH21  ARG  12          HH21      ARG  12 -10.154  10.841  -7.544
   84   HH22  ARG  12          HH22      ARG  12  -9.427  12.103  -8.508
   85    H    SER  13           H        SER  13  -6.254  13.074   0.301
   86    HA   SER  13           HA       SER  13  -4.278  11.650  -1.276
   87    HB2  SER  13           HB2      SER  13  -3.949  13.132   1.351
   88    HB3  SER  13           HB3      SER  13  -2.659  12.662   0.230
   89    HG   SER  13           HG       SER  13  -3.627  14.016  -1.335
   90    H    MET  14           H        MET  14  -6.142  10.893   1.644
   91    HA   MET  14           HA       MET  14  -4.249   8.703   2.200
   92    HB2  MET  14           HB2      MET  14  -5.238   8.384   4.221
   93    HB3  MET  14           HB3      MET  14  -5.321  10.142   4.022
   94    HG2  MET  14           HG2      MET  14  -7.682   9.990   3.424
   95    HG3  MET  14           HG3      MET  14  -7.599   8.221   3.405
   96    HE1  MET  14           HE1      MET  14  -7.024   7.324   7.196
   97    HE2  MET  14           HE2      MET  14  -7.004   6.731   5.528
   98    HE3  MET  14           HE3      MET  14  -5.683   7.750   6.124
   99    H    ASN  15           H        ASN  15  -6.802   9.202   0.095
  100    HA   ASN  15           HA       ASN  15  -7.578   6.337   0.129
  101    HB2  ASN  15           HB2      ASN  15  -8.749   8.771  -1.266
  102    HB3  ASN  15           HB3      ASN  15  -9.291   7.111  -1.554
  103   HD21  ASN  15          HD21      ASN  15  -9.639   9.876   0.479
  104   HD22  ASN  15          HD22      ASN  15 -10.609   9.119   1.719
  105    H    SER  16           H        SER  16  -5.649   8.711  -1.607
  106    HA   SER  16           HA       SER  16  -5.180   6.888  -3.852
  107    HB2  SER  16           HB2      SER  16  -3.626   8.656  -4.593
  108    HB3  SER  16           HB3      SER  16  -5.256   9.283  -4.244
  109    HG   SER  16           HG       SER  16  -3.625  10.588  -3.342
  110    H    ARG  17           H        ARG  17  -4.345   6.646  -0.719
  111    HA   ARG  17           HA       ARG  17  -1.544   5.785  -1.230
  112    HB2  ARG  17           HB2      ARG  17  -1.960   7.364   0.622
  113    HB3  ARG  17           HB3      ARG  17  -3.043   6.169   1.381
  114    HG2  ARG  17           HG2      ARG  17  -1.260   4.634   1.773
  115    HG3  ARG  17           HG3      ARG  17  -0.182   5.481   0.640
  116    HD2  ARG  17           HD2      ARG  17   0.459   5.907   2.949
  117    HD3  ARG  17           HD3      ARG  17  -0.005   7.382   2.101
  118    HE   ARG  17           HE       ARG  17  -1.637   5.970   4.175
  119   HH11  ARG  17          HH11      ARG  17  -1.050   8.846   2.181
  120   HH12  ARG  17          HH12      ARG  17  -2.109   9.848   3.145
  121   HH21  ARG  17          HH21      ARG  17  -2.940   7.319   5.417
  122   HH22  ARG  17          HH22      ARG  17  -3.163   9.000   4.968
  123    H    VAL  18           H        VAL  18  -0.870   3.688  -0.572
  124    HA   VAL  18           HA       VAL  18  -3.059   1.711  -0.126
  125    HB   VAL  18           HB       VAL  18  -0.608   1.398  -1.898
  126   HG11  VAL  18          HG11      VAL  18  -1.671  -0.794  -2.463
  127   HG12  VAL  18          HG12      VAL  18  -1.131  -0.695  -0.775
  128   HG13  VAL  18          HG13      VAL  18  -2.857  -0.520  -1.164
  129   HG21  VAL  18          HG21      VAL  18  -2.316   2.763  -2.967
  130   HG22  VAL  18          HG22      VAL  18  -2.375   1.126  -3.667
  131   HG23  VAL  18          HG23      VAL  18  -3.589   1.617  -2.470
  132    H    PHE  19           H        PHE  19  -2.805   0.469   1.568
  133    HA   PHE  19           HA       PHE  19  -0.289   0.512   3.106
  134    HB2  PHE  19           HB2      PHE  19  -2.382   0.849   4.297
  135    HB3  PHE  19           HB3      PHE  19  -3.075  -0.598   3.571
  136    HD1  PHE  19           HD1      PHE  19   0.145   0.146   5.384
  137    HD2  PHE  19           HD2      PHE  19  -3.371  -2.301   5.083
  138    HE1  PHE  19           HE1      PHE  19   0.912  -1.200   7.325
  139    HE2  PHE  19           HE2      PHE  19  -2.609  -3.642   7.027
  140    HZ   PHE  19           HZ       PHE  19  -0.470  -3.087   8.157
  141    H    ILE  20           H        ILE  20   1.120  -1.176   3.189
  142    HA   ILE  20           HA       ILE  20   0.357  -3.698   1.783
  143    HB   ILE  20           HB       ILE  20   3.027  -2.258   1.869
  144   HG12  ILE  20          HG12      ILE  20   1.352  -2.892  -0.590
  145   HG13  ILE  20          HG11      ILE  20   1.171  -1.379   0.311
  146   HG21  ILE  20          HG21      ILE  20   3.825  -4.065   0.342
  147   HG22  ILE  20          HG22      ILE  20   3.335  -4.732   1.903
  148   HG23  ILE  20          HG23      ILE  20   2.261  -4.888   0.505
  149   HD11  ILE  20          HD11      ILE  20   2.704  -1.070  -1.563
  150   HD12  ILE  20          HD12      ILE  20   3.573  -0.882  -0.022
  151   HD13  ILE  20          HD13      ILE  20   3.749  -2.379  -0.965
  152    H    GLY  21           H        GLY  21  -0.380  -4.550   3.752
  153    HA2  GLY  21           HA2      GLY  21   1.474  -4.771   6.006
  154    HA3  GLY  21           HA3      GLY  21  -0.174  -5.419   5.904
  155    H    ASN  22           H        ASN  22   1.582  -7.051   7.020
  156    HA   ASN  22           HA       ASN  22   2.730  -8.986   6.936
  157    HB2  ASN  22           HB2      ASN  22   0.371  -9.654   6.332
  158    HB3  ASN  22           HB3      ASN  22   0.861  -9.626   4.633
  159   HD21  ASN  22          HD21      ASN  22   0.210 -11.898   4.648
  160   HD22  ASN  22          HD22      ASN  22   1.378 -13.107   5.162
  161    H    LEU  23           H        LEU  23   4.243  -7.076   5.759
  162    HA   LEU  23           HA       LEU  23   5.242  -8.199   3.210
  163    HB2  LEU  23           HB2      LEU  23   4.720  -5.790   3.360
  164    HB3  LEU  23           HB3      LEU  23   5.867  -5.614   4.685
  165    HG   LEU  23           HG       LEU  23   7.720  -6.262   3.180
  166   HD11  LEU  23          HD11      LEU  23   5.553  -6.333   1.040
  167   HD12  LEU  23          HD12      LEU  23   7.305  -6.341   0.728
  168   HD13  LEU  23          HD13      LEU  23   6.556  -7.704   1.581
  169   HD21  LEU  23          HD21      LEU  23   6.996  -3.889   3.449
  170   HD22  LEU  23          HD22      LEU  23   7.712  -4.209   1.849
  171   HD23  LEU  23          HD23      LEU  23   5.945  -4.073   2.028
  172    H    ASN  24           H        ASN  24   7.401  -8.983   2.982
  173    HA   ASN  24           HA       ASN  24   8.444 -10.221   5.346
  174    HB2  ASN  24           HB2      ASN  24   8.667 -11.074   2.968
  175    HB3  ASN  24           HB3      ASN  24   9.830  -9.782   2.669
  176   HD21  ASN  24          HD21      ASN  24  11.742 -10.932   2.452
  177   HD22  ASN  24          HD22      ASN  24  12.387 -11.988   3.695
  178    H    THR  25           H        THR  25   9.344  -7.361   3.491
  179    HA   THR  25           HA       THR  25  10.742  -5.648   3.783
  180    HB   THR  25           HB       THR  25  10.777  -4.563   5.916
  181    HG1  THR  25           HG1      THR  25   9.909  -7.074   6.873
  182   HG21  THR  25          HG21      THR  25   8.336  -4.482   6.328
  183   HG22  THR  25          HG22      THR  25   8.715  -4.499   4.595
  184   HG23  THR  25          HG23      THR  25   8.130  -5.983   5.406
  185    H    LEU  26           H        LEU  26  11.886  -8.606   4.505
  186    HA   LEU  26           HA       LEU  26  14.537  -7.672   5.438
  187    HB2  LEU  26           HB2      LEU  26  13.072 -10.270   5.281
  188    HB3  LEU  26           HB3      LEU  26  14.826 -10.324   5.051
  189    HG   LEU  26           HG       LEU  26  15.180  -9.146   7.183
  190   HD11  LEU  26          HD11      LEU  26  13.346  -8.875   8.790
  191   HD12  LEU  26          HD12      LEU  26  13.038  -7.904   7.336
  192   HD13  LEU  26          HD13      LEU  26  12.179  -9.447   7.581
  193   HD21  LEU  26          HD21      LEU  26  15.150 -11.618   7.095
  194   HD22  LEU  26          HD22      LEU  26  14.517 -11.022   8.648
  195   HD23  LEU  26          HD23      LEU  26  13.398 -11.608   7.397
  196    H    VAL  27           H        VAL  27  12.867  -8.353   2.500
  197    HA   VAL  27           HA       VAL  27  15.470  -8.308   1.027
  198    HB   VAL  27           HB       VAL  27  12.984  -9.931   0.345
  199   HG11  VAL  27          HG11      VAL  27  15.683  -9.707  -1.049
  200   HG12  VAL  27          HG12      VAL  27  14.416 -10.892  -1.446
  201   HG13  VAL  27          HG13      VAL  27  14.111  -9.168  -1.694
  202   HG21  VAL  27          HG21      VAL  27  14.275 -10.927   2.201
  203   HG22  VAL  27          HG22      VAL  27  14.468 -11.883   0.715
  204   HG23  VAL  27          HG23      VAL  27  15.766 -10.797   1.245
  205    H    VAL  28           H        VAL  28  12.191  -7.121   1.395
  206    HA   VAL  28           HA       VAL  28  12.516  -5.512  -1.093
  207    HB   VAL  28           HB       VAL  28  10.053  -6.021   0.614
  208   HG11  VAL  28          HG11      VAL  28  10.400  -4.517  -2.017
  209   HG12  VAL  28          HG12      VAL  28   8.849  -4.908  -1.232
  210   HG13  VAL  28          HG13      VAL  28   9.981  -3.796  -0.442
  211   HG21  VAL  28          HG21      VAL  28   9.306  -7.248  -1.427
  212   HG22  VAL  28          HG22      VAL  28  10.902  -6.994  -2.150
  213   HG23  VAL  28          HG23      VAL  28  10.741  -7.994  -0.686
  214    H    LYS  29           H        LYS  29  12.732  -3.371  -1.067
  215    HA   LYS  29           HA       LYS  29  12.626  -1.918   1.540
  216    HB2  LYS  29           HB2      LYS  29  14.816  -1.791  -0.580
  217    HB3  LYS  29           HB3      LYS  29  14.606  -0.625   0.724
  218    HG2  LYS  29           HG2      LYS  29  16.238  -1.996   1.577
  219    HG3  LYS  29           HG3      LYS  29  14.778  -2.582   2.363
  220    HD2  LYS  29           HD2      LYS  29  16.225  -4.436   1.658
  221    HD3  LYS  29           HD3      LYS  29  14.709  -4.497   0.757
  222    HE2  LYS  29           HE2      LYS  29  15.805  -3.375  -1.168
  223    HE3  LYS  29           HE3      LYS  29  17.326  -3.315  -0.257
  224    HZ1  LYS  29           HZ1      LYS  29  17.305  -5.715  -0.200
  225    HZ2  LYS  29           HZ2      LYS  29  15.892  -5.761  -1.049
  226    HZ3  LYS  29           HZ3      LYS  29  17.258  -5.175  -1.753
  227    H    LYS  30           H        LYS  30  12.734   0.509   1.076
  228    HA   LYS  30           HA       LYS  30  10.469   1.209  -0.516
  229    HB2  LYS  30           HB2      LYS  30  11.089   3.522   0.154
  230    HB3  LYS  30           HB3      LYS  30  11.019   2.365   1.498
  231    HG2  LYS  30           HG2      LYS  30  13.646   2.125   0.925
  232    HG3  LYS  30           HG3      LYS  30  13.401   3.778   0.333
  233    HD2  LYS  30           HD2      LYS  30  12.610   2.698   3.068
  234    HD3  LYS  30           HD3      LYS  30  14.046   3.686   2.756
  235    HE2  LYS  30           HE2      LYS  30  12.633   5.553   1.982
  236    HE3  LYS  30           HE3      LYS  30  11.176   4.582   2.236
  237    HZ1  LYS  30           HZ1      LYS  30  13.065   5.384   4.348
  238    HZ2  LYS  30           HZ2      LYS  30  11.610   6.076   4.059
  239    HZ3  LYS  30           HZ3      LYS  30  11.681   4.517   4.573
  240    H    SER  31           H        SER  31  13.596   0.511  -1.499
  241    HA   SER  31           HA       SER  31  13.455   2.264  -3.887
  242    HB2  SER  31           HB2      SER  31  15.625   0.344  -2.958
  243    HB3  SER  31           HB3      SER  31  15.731   1.476  -4.328
  244    HG   SER  31           HG       SER  31  16.671   2.312  -2.413
  245    H    ASP  32           H        ASP  32  12.177  -0.646  -2.914
  246    HA   ASP  32           HA       ASP  32  12.372  -1.876  -5.624
  247    HB2  ASP  32           HB2      ASP  32  11.980  -3.022  -2.835
  248    HB3  ASP  32           HB3      ASP  32  11.740  -3.958  -4.304
  249    H    VAL  33           H        VAL  33  10.237  -0.861  -2.930
  250    HA   VAL  33           HA       VAL  33   7.817  -1.952  -4.013
  251    HB   VAL  33           HB       VAL  33   8.358   0.395  -2.161
  252   HG11  VAL  33          HG11      VAL  33   5.778  -1.171  -2.634
  253   HG12  VAL  33          HG12      VAL  33   6.016   0.126  -1.445
  254   HG13  VAL  33          HG13      VAL  33   6.079   0.492  -3.186
  255   HG21  VAL  33          HG21      VAL  33   7.582  -2.508  -1.633
  256   HG22  VAL  33          HG22      VAL  33   9.165  -1.772  -1.293
  257   HG23  VAL  33          HG23      VAL  33   7.727  -1.240  -0.396
  258    H    GLU  34           H        GLU  34   9.693   0.998  -4.616
  259    HA   GLU  34           HA       GLU  34   7.583   2.222  -6.197
  260    HB2  GLU  34           HB2      GLU  34   9.207   3.969  -6.652
  261    HB3  GLU  34           HB3      GLU  34   9.133   3.600  -4.920
  262    HG2  GLU  34           HG2      GLU  34  11.175   2.247  -5.083
  263    HG3  GLU  34           HG3      GLU  34  11.237   2.504  -6.833
  264    H    ALA  35           H        ALA  35   9.270  -0.461  -6.838
  265    HA   ALA  35           HA       ALA  35   9.324   0.117  -9.762
  266    HB1  ALA  35           HB1      ALA  35  11.174  -1.710  -8.171
  267    HB2  ALA  35           HB2      ALA  35  11.187  -1.490  -9.934
  268    HB3  ALA  35           HB3      ALA  35  11.613  -0.134  -8.868
  269    H    ILE  36           H        ILE  36   7.905  -1.611  -7.214
  270    HA   ILE  36           HA       ILE  36   6.987  -3.789  -9.042
  271    HB   ILE  36           HB       ILE  36   7.036  -3.581  -6.012
  272   HG12  ILE  36          HG12      ILE  36   8.561  -5.505  -7.809
  273   HG13  ILE  36          HG11      ILE  36   9.232  -3.947  -7.313
  274   HG21  ILE  36          HG21      ILE  36   6.127  -5.856  -7.834
  275   HG22  ILE  36          HG22      ILE  36   6.295  -5.963  -6.064
  276   HG23  ILE  36          HG23      ILE  36   5.090  -4.883  -6.771
  277   HD11  ILE  36          HD11      ILE  36   8.936  -4.571  -4.923
  278   HD12  ILE  36          HD12      ILE  36   8.359  -6.176  -5.433
  279   HD13  ILE  36          HD13      ILE  36  10.024  -5.673  -5.794
  280    H    PHE  37           H        PHE  37   5.979  -1.033  -7.070
  281    HA   PHE  37           HA       PHE  37   3.138  -1.660  -7.673
  282    HB2  PHE  37           HB2      PHE  37   4.455   0.151  -5.626
  283    HB3  PHE  37           HB3      PHE  37   2.732   0.167  -5.960
  284    HD1  PHE  37           HD1      PHE  37   5.502  -2.027  -4.795
  285    HD2  PHE  37           HD2      PHE  37   1.262  -1.396  -5.009
  286    HE1  PHE  37           HE1      PHE  37   5.142  -3.931  -3.240
  287    HE2  PHE  37           HE2      PHE  37   0.894  -3.297  -3.451
  288    HZ   PHE  37           HZ       PHE  37   2.835  -4.549  -2.550
  289    H    SER  38           H        SER  38   5.701   0.085  -8.953
  290    HA   SER  38           HA       SER  38   4.294   2.517  -9.676
  291    HB2  SER  38           HB2      SER  38   6.276   2.863 -11.136
  292    HB3  SER  38           HB3      SER  38   6.715   2.457  -9.457
  293    HG   SER  38           HG       SER  38   7.901   1.252 -11.027
  294    H    LYS  39           H        LYS  39   4.255  -0.713 -10.854
  295    HA   LYS  39           HA       LYS  39   3.575  -0.029 -13.604
  296    HB2  LYS  39           HB2      LYS  39   3.386  -2.439 -13.889
  297    HB3  LYS  39           HB3      LYS  39   4.856  -2.036 -12.976
  298    HG2  LYS  39           HG2      LYS  39   3.411  -2.396 -10.854
  299    HG3  LYS  39           HG3      LYS  39   2.255  -3.200 -11.933
  300    HD2  LYS  39           HD2      LYS  39   5.192  -3.918 -11.600
  301    HD3  LYS  39           HD3      LYS  39   3.832  -4.793 -10.868
  302    HE2  LYS  39           HE2      LYS  39   2.940  -5.288 -13.136
  303    HE3  LYS  39           HE3      LYS  39   4.322  -4.445 -13.856
  304    HZ1  LYS  39           HZ1      LYS  39   5.760  -6.061 -12.787
  305    HZ2  LYS  39           HZ2      LYS  39   4.461  -6.848 -12.159
  306    HZ3  LYS  39           HZ3      LYS  39   4.678  -6.803 -13.784
  307    H    TYR  40           H        TYR  40   1.834  -0.094 -10.653
  308    HA   TYR  40           HA       TYR  40  -0.744  -0.516 -12.097
  309    HB2  TYR  40           HB2      TYR  40  -0.166  -0.509  -9.121
  310    HB3  TYR  40           HB3      TYR  40  -1.708  -0.879  -9.895
  311    HD1  TYR  40           HD1      TYR  40  -1.804  -2.879 -11.520
  312    HD2  TYR  40           HD2      TYR  40   1.425  -2.203  -8.759
  313    HE1  TYR  40           HE1      TYR  40  -1.092  -5.242 -11.777
  314    HE2  TYR  40           HE2      TYR  40   2.162  -4.555  -9.031
  315    HH   TYR  40           HH       TYR  40   0.441  -6.843 -11.195
  316    H    GLY  41           H        GLY  41   1.292   1.906 -10.708
  317    HA2  GLY  41           HA2      GLY  41  -0.392   3.966 -11.725
  318    HA3  GLY  41           HA3      GLY  41  -0.573   3.880  -9.967
  319    H    LYS  42           H        LYS  42   0.427   6.149 -11.259
  320    HA   LYS  42           HA       LYS  42   3.323   6.206 -11.150
  321    HB2  LYS  42           HB2      LYS  42   2.164   7.702 -12.639
  322    HB3  LYS  42           HB3      LYS  42   1.122   8.296 -11.338
  323    HG2  LYS  42           HG2      LYS  42   3.023   9.369 -10.231
  324    HG3  LYS  42           HG3      LYS  42   4.140   8.712 -11.451
  325    HD2  LYS  42           HD2      LYS  42   3.125  10.024 -13.200
  326    HD3  LYS  42           HD3      LYS  42   1.767  10.486 -12.149
  327    HE2  LYS  42           HE2      LYS  42   3.291  11.697 -10.664
  328    HE3  LYS  42           HE3      LYS  42   4.683  11.203 -11.643
  329    HZ1  LYS  42           HZ1      LYS  42   3.745  12.428 -13.480
  330    HZ2  LYS  42           HZ2      LYS  42   2.452  12.885 -12.577
  331    HZ3  LYS  42           HZ3      LYS  42   3.960  13.419 -12.187
  332    H    ILE  43           H        ILE  43   4.428   6.055  -9.308
  333    HA   ILE  43           HA       ILE  43   3.117   6.627  -6.762
  334    HB   ILE  43           HB       ILE  43   5.875   5.565  -7.468
  335   HG12  ILE  43          HG12      ILE  43   3.345   4.258  -6.373
  336   HG13  ILE  43          HG11      ILE  43   3.924   4.121  -8.041
  337   HG21  ILE  43          HG21      ILE  43   5.880   6.738  -5.269
  338   HG22  ILE  43          HG22      ILE  43   4.500   5.736  -4.751
  339   HG23  ILE  43          HG23      ILE  43   6.076   4.989  -5.081
  340   HD11  ILE  43          HD11      ILE  43   5.976   3.014  -7.252
  341   HD12  ILE  43          HD12      ILE  43   5.379   3.098  -5.569
  342   HD13  ILE  43          HD13      ILE  43   4.507   2.129  -6.769
  343    H    VAL  44           H        VAL  44   3.287   8.394  -5.591
  344    HA   VAL  44           HA       VAL  44   5.280  10.462  -6.384
  345    HB   VAL  44           HB       VAL  44   3.655  12.124  -5.562
  346   HG11  VAL  44          HG11      VAL  44   2.432  10.211  -7.596
  347   HG12  VAL  44          HG12      VAL  44   2.035  11.929  -7.383
  348   HG13  VAL  44          HG13      VAL  44   3.651  11.457  -7.952
  349   HG21  VAL  44          HG21      VAL  44   2.482  10.706  -3.907
  350   HG22  VAL  44          HG22      VAL  44   1.340  11.454  -5.042
  351   HG23  VAL  44          HG23      VAL  44   1.775   9.746  -5.230
  352    H    GLY  45           H        GLY  45   4.811   8.140  -4.170
  353    HA2  GLY  45           HA2      GLY  45   6.754   9.146  -2.372
  354    HA3  GLY  45           HA3      GLY  45   5.154   9.346  -1.637
  355    H    CYS  46           H        CYS  46   7.476   7.475  -1.011
  356    HA   CYS  46           HA       CYS  46   5.803   5.124  -0.563
  357    HB2  CYS  46           HB2      CYS  46   6.712   4.653  -2.819
  358    HB3  CYS  46           HB3      CYS  46   8.365   4.923  -2.215
  359    HG   CYS  46           HG       CYS  46   6.146   2.760  -1.063
  360    H    SER  47           H        SER  47   6.522   3.922   1.197
  361    HA   SER  47           HA       SER  47   9.219   4.333   2.235
  362    HB2  SER  47           HB2      SER  47   7.935   6.231   3.225
  363    HB3  SER  47           HB3      SER  47   6.806   5.053   3.941
  364    HG   SER  47           HG       SER  47   8.502   5.674   5.369
  365    H    VAL  48           H        VAL  48   9.900   2.597   3.455
  366    HA   VAL  48           HA       VAL  48   7.904   0.417   3.878
  367    HB   VAL  48           HB       VAL  48  10.865   0.258   3.238
  368   HG11  VAL  48          HG11      VAL  48   8.844  -1.953   3.834
  369   HG12  VAL  48          HG12      VAL  48  10.478  -2.205   3.185
  370   HG13  VAL  48          HG13      VAL  48  10.275  -1.533   4.814
  371   HG21  VAL  48          HG21      VAL  48  10.025  -0.912   1.214
  372   HG22  VAL  48          HG22      VAL  48   8.356  -0.619   1.740
  373   HG23  VAL  48          HG23      VAL  48   9.398   0.753   1.307
  374    H    HIS  49           H        HIS  49   7.978  -0.725   5.778
  375    HA   HIS  49           HA       HIS  49   9.583   0.387   8.028
  376    HB2  HIS  49           HB2      HIS  49   6.615  -0.282   8.039
  377    HB3  HIS  49           HB3      HIS  49   7.560   0.380   9.385
  378    HD2  HIS  49           HD2      HIS  49   6.178   1.422   5.891
  379    HE1  HIS  49           HE1      HIS  49   6.932   4.990   8.072
  380    HE2  HIS  49           HE2      HIS  49   5.960   4.027   5.920
  381    H    LYS  50           H        LYS  50   8.660  -1.278  10.016
  382    HA   LYS  50           HA       LYS  50   9.700  -3.845   9.029
  383    HB2  LYS  50           HB2      LYS  50  10.472  -2.710  11.165
  384    HB3  LYS  50           HB3      LYS  50   8.892  -3.125  11.869
  385    HG2  LYS  50           HG2      LYS  50   9.316  -5.518  11.332
  386    HG3  LYS  50           HG3      LYS  50  10.887  -5.066  10.633
  387    HD2  LYS  50           HD2      LYS  50  11.594  -4.150  12.838
  388    HD3  LYS  50           HD3      LYS  50  10.040  -4.645  13.536
  389    HE2  LYS  50           HE2      LYS  50  12.105  -6.510  12.283
  390    HE3  LYS  50           HE3      LYS  50  11.868  -6.260  14.020
  391    HZ1  LYS  50           HZ1      LYS  50  10.724  -8.214  13.254
  392    HZ2  LYS  50           HZ2      LYS  50   9.635  -7.100  13.777
  393    HZ3  LYS  50           HZ3      LYS  50   9.856  -7.342  12.165
  394    H    GLY  51           H        GLY  51   8.405  -5.334   8.224
  395    HA2  GLY  51           HA2      GLY  51   6.696  -6.877   8.185
  396    HA3  GLY  51           HA3      GLY  51   5.949  -6.085   9.588
  397    H    PHE  52           H        PHE  52   6.321  -3.477   7.653
  398    HA   PHE  52           HA       PHE  52   4.159  -4.057   5.753
  399    HB2  PHE  52           HB2      PHE  52   2.719  -2.282   6.534
  400    HB3  PHE  52           HB3      PHE  52   2.907  -3.497   7.787
  401    HD1  PHE  52           HD1      PHE  52   4.290  -3.023   9.811
  402    HD2  PHE  52           HD2      PHE  52   3.473  -0.012   6.846
  403    HE1  PHE  52           HE1      PHE  52   4.982  -1.261  11.406
  404    HE2  PHE  52           HE2      PHE  52   4.145   1.743   8.451
  405    HZ   PHE  52           HZ       PHE  52   4.923   1.119  10.731
  406    H    ALA  53           H        ALA  53   3.653  -2.092   4.410
  407    HA   ALA  53           HA       ALA  53   5.721   0.008   4.349
  408    HB1  ALA  53           HB1      ALA  53   5.141  -1.857   2.013
  409    HB2  ALA  53           HB2      ALA  53   6.119  -0.374   1.925
  410    HB3  ALA  53           HB3      ALA  53   6.666  -1.737   2.925
  411    H    PHE  54           H        PHE  54   5.134   1.617   2.537
  412    HA   PHE  54           HA       PHE  54   2.218   1.759   2.052
  413    HB2  PHE  54           HB2      PHE  54   3.917   3.696   3.610
  414    HB3  PHE  54           HB3      PHE  54   2.612   4.321   2.608
  415    HD1  PHE  54           HD1      PHE  54   0.273   3.389   2.887
  416    HD2  PHE  54           HD2      PHE  54   3.396   2.844   5.801
  417    HE1  PHE  54           HE1      PHE  54  -1.434   2.944   4.640
  418    HE2  PHE  54           HE2      PHE  54   1.692   2.375   7.532
  419    HZ   PHE  54           HZ       PHE  54  -0.722   2.436   6.955
  420    H    VAL  55           H        VAL  55   1.621   2.866   0.230
  421    HA   VAL  55           HA       VAL  55   3.747   4.079  -1.465
  422    HB   VAL  55           HB       VAL  55   1.682   2.012  -2.334
  423   HG11  VAL  55          HG11      VAL  55   3.660   3.658  -3.973
  424   HG12  VAL  55          HG12      VAL  55   2.716   2.285  -4.587
  425   HG13  VAL  55          HG13      VAL  55   1.884   3.752  -4.050
  426   HG21  VAL  55          HG21      VAL  55   3.705   1.057  -1.282
  427   HG22  VAL  55          HG22      VAL  55   3.687   0.729  -3.027
  428   HG23  VAL  55          HG23      VAL  55   4.727   2.020  -2.372
  429    H    GLN  56           H        GLN  56   3.106   5.900  -2.487
  430    HA   GLN  56           HA       GLN  56   0.279   6.742  -2.066
  431    HB2  GLN  56           HB2      GLN  56   2.071   7.915  -0.721
  432    HB3  GLN  56           HB3      GLN  56   2.820   8.412  -2.241
  433    HG2  GLN  56           HG2      GLN  56   1.535  10.269  -1.516
  434    HG3  GLN  56           HG3      GLN  56   0.615   9.549  -2.841
  435   HE21  GLN  56          HE21      GLN  56  -1.541   9.430  -2.439
  436   HE22  GLN  56          HE22      GLN  56  -2.260   9.253  -0.858
  437    H    TYR  57           H        TYR  57  -0.870   7.217  -3.858
  438    HA   TYR  57           HA       TYR  57   0.581   7.393  -6.458
  439    HB2  TYR  57           HB2      TYR  57  -2.224   6.456  -5.771
  440    HB3  TYR  57           HB3      TYR  57  -1.624   6.704  -7.410
  441    HD1  TYR  57           HD1      TYR  57   0.905   5.589  -7.682
  442    HD2  TYR  57           HD2      TYR  57  -2.332   4.170  -5.217
  443    HE1  TYR  57           HE1      TYR  57   1.812   3.284  -7.820
  444    HE2  TYR  57           HE2      TYR  57  -1.398   1.878  -5.322
  445    HH   TYR  57           HH       TYR  57   1.518   1.114  -7.256
  446    H    VAL  58           H        VAL  58  -0.896   8.578  -8.138
  447    HA   VAL  58           HA       VAL  58  -1.172  11.301  -7.237
  448    HB   VAL  58           HB       VAL  58  -1.835   9.855  -9.833
  449   HG11  VAL  58          HG11      VAL  58  -3.291  11.810  -9.679
  450   HG12  VAL  58          HG12      VAL  58  -1.917  12.836  -9.201
  451   HG13  VAL  58          HG13      VAL  58  -1.989  12.129 -10.837
  452   HG21  VAL  58          HG21      VAL  58   0.395  11.770  -9.025
  453   HG22  VAL  58          HG22      VAL  58   0.566  10.016  -9.247
  454   HG23  VAL  58          HG23      VAL  58   0.170  11.050 -10.637
  455    H    ASN  59           H        ASN  59  -3.429   8.565  -7.734
  456    HA   ASN  59           HA       ASN  59  -5.442  10.096  -6.296
  457    HB2  ASN  59           HB2      ASN  59  -7.041  10.338  -7.899
  458    HB3  ASN  59           HB3      ASN  59  -5.574  10.652  -8.855
  459   HD21  ASN  59          HD21      ASN  59  -4.641   8.312  -9.727
  460   HD22  ASN  59          HD22      ASN  59  -5.874   7.391 -10.541
  461    H    GLU  60           H        GLU  60  -7.516   8.797  -6.048
  462    HA   GLU  60           HA       GLU  60  -6.904   6.365  -4.766
  463    HB2  GLU  60           HB2      GLU  60  -8.792   7.813  -4.212
  464    HB3  GLU  60           HB3      GLU  60  -9.536   7.478  -5.790
  465    HG2  GLU  60           HG2      GLU  60  -9.728   5.079  -5.189
  466    HG3  GLU  60           HG3      GLU  60  -8.974   5.410  -3.622
  467    H    ARG  61           H        ARG  61  -7.924   6.957  -8.161
  468    HA   ARG  61           HA       ARG  61  -8.809   4.322  -8.712
  469    HB2  ARG  61           HB2      ARG  61  -9.228   6.109 -10.275
  470    HB3  ARG  61           HB3      ARG  61  -7.500   6.467 -10.419
  471    HG2  ARG  61           HG2      ARG  61  -8.379   5.254 -12.401
  472    HG3  ARG  61           HG3      ARG  61  -7.066   4.402 -11.574
  473    HD2  ARG  61           HD2      ARG  61  -8.813   2.825 -12.185
  474    HD3  ARG  61           HD3      ARG  61  -8.708   2.966 -10.422
  475    HE   ARG  61           HE       ARG  61 -10.658   4.808 -11.452
  476   HH11  ARG  61          HH11      ARG  61 -10.159   1.360 -10.844
  477   HH12  ARG  61          HH12      ARG  61 -11.862   1.032 -10.619
  478   HH21  ARG  61          HH21      ARG  61 -12.872   4.350 -11.165
  479   HH22  ARG  61          HH22      ARG  61 -13.392   2.719 -10.808
  480    H    ASN  62           H        ASN  62  -5.528   5.754  -8.681
  481    HA   ASN  62           HA       ASN  62  -4.274   3.390  -9.760
  482    HB2  ASN  62           HB2      ASN  62  -3.325   5.857  -8.275
  483    HB3  ASN  62           HB3      ASN  62  -2.213   4.542  -8.735
  484   HD21  ASN  62          HD21      ASN  62  -2.786   3.763 -11.167
  485   HD22  ASN  62          HD22      ASN  62  -2.800   5.080 -12.323
  486    H    ALA  63           H        ALA  63  -5.335   4.352  -6.552
  487    HA   ALA  63           HA       ALA  63  -3.699   2.410  -5.144
  488    HB1  ALA  63           HB1      ALA  63  -5.159   2.966  -3.230
  489    HB2  ALA  63           HB2      ALA  63  -4.564   4.434  -4.031
  490    HB3  ALA  63           HB3      ALA  63  -6.234   3.880  -4.304
  491    H    ARG  64           H        ARG  64  -6.978   2.470  -6.534
  492    HA   ARG  64           HA       ARG  64  -7.769  -0.085  -5.432
  493    HB2  ARG  64           HB2      ARG  64  -8.766   1.362  -7.921
  494    HB3  ARG  64           HB3      ARG  64  -9.575   0.009  -7.116
  495    HG2  ARG  64           HG2      ARG  64  -9.078   2.757  -5.898
  496    HG3  ARG  64           HG3      ARG  64 -10.609   2.168  -6.564
  497    HD2  ARG  64           HD2      ARG  64 -10.655   0.378  -4.850
  498    HD3  ARG  64           HD3      ARG  64  -9.142   1.007  -4.161
  499    HE   ARG  64           HE       ARG  64 -10.942   3.164  -4.290
  500   HH11  ARG  64          HH11      ARG  64 -10.735   0.061  -2.590
  501   HH12  ARG  64          HH12      ARG  64 -11.648   0.654  -1.217
  502   HH21  ARG  64          HH21      ARG  64 -12.113   3.861  -2.529
  503   HH22  ARG  64          HH22      ARG  64 -12.440   2.787  -1.182
  504    H    ALA  65           H        ALA  65  -5.838   0.899  -8.213
  505    HA   ALA  65           HA       ALA  65  -6.108  -1.674  -9.561
  506    HB1  ALA  65           HB1      ALA  65  -4.155   0.635  -9.948
  507    HB2  ALA  65           HB2      ALA  65  -4.412  -0.721 -11.077
  508    HB3  ALA  65           HB3      ALA  65  -5.718   0.449 -10.768
  509    H    ALA  66           H        ALA  66  -3.814  -0.195  -7.243
  510    HA   ALA  66           HA       ALA  66  -1.932  -2.414  -7.556
  511    HB1  ALA  66           HB1      ALA  66  -2.063  -0.156  -5.527
  512    HB2  ALA  66           HB2      ALA  66  -0.676  -1.231  -5.844
  513    HB3  ALA  66           HB3      ALA  66  -1.235  -0.097  -7.102
  514    H    VAL  67           H        VAL  67  -4.497  -1.433  -5.258
  515    HA   VAL  67           HA       VAL  67  -3.984  -3.486  -3.323
  516    HB   VAL  67           HB       VAL  67  -6.454  -1.904  -4.113
  517   HG11  VAL  67          HG11      VAL  67  -6.080  -3.818  -1.774
  518   HG12  VAL  67          HG12      VAL  67  -7.419  -2.656  -1.933
  519   HG13  VAL  67          HG13      VAL  67  -7.257  -3.979  -3.101
  520   HG21  VAL  67          HG21      VAL  67  -4.683  -1.804  -1.633
  521   HG22  VAL  67          HG22      VAL  67  -4.505  -0.711  -3.020
  522   HG23  VAL  67          HG23      VAL  67  -5.994  -0.671  -2.056
  523    H    ALA  68           H        ALA  68  -5.719  -3.432  -6.436
  524    HA   ALA  68           HA       ALA  68  -6.624  -6.209  -5.977
  525    HB1  ALA  68           HB1      ALA  68  -7.094  -4.303  -8.300
  526    HB2  ALA  68           HB2      ALA  68  -7.857  -5.887  -8.082
  527    HB3  ALA  68           HB3      ALA  68  -8.197  -4.573  -6.930
  528    H    GLY  69           H        GLY  69  -3.850  -4.655  -7.235
  529    HA2  GLY  69           HA2      GLY  69  -3.350  -6.800  -9.221
  530    HA3  GLY  69           HA3      GLY  69  -2.514  -5.244  -9.096
  531    H    GLU  70           H        GLU  70  -2.497  -6.027  -5.957
  532    HA   GLU  70           HA       GLU  70  -0.064  -7.767  -6.143
  533    HB2  GLU  70           HB2      GLU  70  -0.363  -5.034  -4.879
  534    HB3  GLU  70           HB3      GLU  70   0.907  -6.165  -4.391
  535    HG2  GLU  70           HG2      GLU  70   0.508  -5.364  -7.289
  536    HG3  GLU  70           HG3      GLU  70   1.520  -4.437  -6.177
  537    H    ASP  71           H        ASP  71  -2.981  -6.834  -4.354
  538    HA   ASP  71           HA       ASP  71  -2.230  -7.951  -1.847
  539    HB2  ASP  71           HB2      ASP  71  -4.240  -6.589  -2.135
  540    HB3  ASP  71           HB3      ASP  71  -4.931  -7.812  -3.221
  541    H    GLY  72           H        GLY  72  -1.535  -9.971  -1.436
  542    HA2  GLY  72           HA2      GLY  72  -1.808 -12.288  -1.257
  543    HA3  GLY  72           HA3      GLY  72  -3.062 -12.247  -2.515
  544    H    ARG  73           H        ARG  73  -0.346 -10.405  -3.448
  545    HA   ARG  73           HA       ARG  73   0.630 -12.457  -5.277
  546    HB2  ARG  73           HB2      ARG  73   1.995 -10.783  -6.177
  547    HB3  ARG  73           HB3      ARG  73   0.505  -9.952  -5.732
  548    HG2  ARG  73           HG2      ARG  73   1.867  -8.481  -4.654
  549    HG3  ARG  73           HG3      ARG  73   1.994  -9.728  -3.400
  550    HD2  ARG  73           HD2      ARG  73   4.220  -9.026  -4.024
  551    HD3  ARG  73           HD3      ARG  73   3.991 -10.658  -4.690
  552    HE   ARG  73           HE       ARG  73   3.410  -8.280  -6.375
  553   HH11  ARG  73          HH11      ARG  73   5.506 -11.096  -5.802
  554   HH12  ARG  73          HH12      ARG  73   6.244 -10.972  -7.379
  555   HH21  ARG  73          HH21      ARG  73   4.378  -8.175  -8.372
  556   HH22  ARG  73          HH22      ARG  73   5.625  -9.319  -8.829
  557    H    MET  74           H        MET  74   3.145 -12.861  -5.179
  558    HA   MET  74           HA       MET  74   3.758 -13.423  -2.308
  559    HB2  MET  74           HB2      MET  74   3.202 -15.383  -3.718
  560    HB3  MET  74           HB3      MET  74   4.612 -15.028  -4.736
  561    HG2  MET  74           HG2      MET  74   6.132 -15.447  -2.962
  562    HG3  MET  74           HG3      MET  74   4.878 -15.293  -1.728
  563    HE1  MET  74           HE1      MET  74   2.493 -16.947  -2.557
  564    HE2  MET  74           HE2      MET  74   2.873 -18.540  -1.869
  565    HE3  MET  74           HE3      MET  74   3.266 -17.061  -0.965
  566    H    ILE  75           H        ILE  75   5.406 -12.342  -1.500
  567    HA   ILE  75           HA       ILE  75   7.612 -11.561  -3.327
  568    HB   ILE  75           HB       ILE  75   5.747  -9.854  -1.896
  569   HG12  ILE  75          HG12      ILE  75   8.073  -9.362  -3.799
  570   HG13  ILE  75          HG11      ILE  75   6.409  -9.749  -4.260
  571   HG21  ILE  75          HG21      ILE  75   8.688  -9.399  -1.281
  572   HG22  ILE  75          HG22      ILE  75   7.344  -8.274  -0.925
  573   HG23  ILE  75          HG23      ILE  75   7.419  -9.830  -0.104
  574   HD11  ILE  75          HD11      ILE  75   5.628  -7.633  -3.217
  575   HD12  ILE  75          HD12      ILE  75   7.305  -7.235  -2.768
  576   HD13  ILE  75          HD13      ILE  75   6.843  -7.346  -4.476
  577    H    ALA  76           H        ALA  76   9.648 -11.829  -2.577
  578    HA   ALA  76           HA       ALA  76  11.237 -12.925  -1.420
  579    HB1  ALA  76           HB1      ALA  76   9.800 -11.841   1.013
  580    HB2  ALA  76           HB2      ALA  76  11.502 -12.359   0.912
  581    HB3  ALA  76           HB3      ALA  76  10.949 -10.920   0.016
  582    H    GLY  77           H        GLY  77   8.515 -14.294  -1.885
  583    HA2  GLY  77           HA2      GLY  77   8.028 -16.557  -1.735
  584    HA3  GLY  77           HA3      GLY  77   9.184 -16.724  -0.389
  585    H    GLN  78           H        GLN  78   7.227 -14.015   0.221
  586    HA   GLN  78           HA       GLN  78   5.275 -15.632   1.784
  587    HB2  GLN  78           HB2      GLN  78   6.989 -14.846   3.259
  588    HB3  GLN  78           HB3      GLN  78   6.970 -13.239   2.536
  589    HG2  GLN  78           HG2      GLN  78   4.308 -13.846   3.487
  590    HG3  GLN  78           HG3      GLN  78   5.484 -14.175   4.774
  591   HE21  GLN  78          HE21      GLN  78   5.131 -11.735   2.125
  592   HE22  GLN  78          HE22      GLN  78   5.364 -10.344   3.168
  593    H    VAL  79           H        VAL  79   3.207 -15.106   1.554
  594    HA   VAL  79           HA       VAL  79   2.303 -13.397  -0.550
  595    HB   VAL  79           HB       VAL  79   0.795 -14.555   1.832
  596   HG11  VAL  79          HG11      VAL  79  -0.123 -13.618  -0.915
  597   HG12  VAL  79          HG12      VAL  79  -1.137 -14.462   0.280
  598   HG13  VAL  79          HG13      VAL  79  -0.503 -12.848   0.648
  599   HG21  VAL  79          HG21      VAL  79   1.977 -16.323   0.599
  600   HG22  VAL  79          HG22      VAL  79   0.236 -16.401   0.274
  601   HG23  VAL  79          HG23      VAL  79   1.325 -15.697  -0.940
  602    H    LEU  80           H        LEU  80   1.489 -11.355  -0.577
  603    HA   LEU  80           HA       LEU  80   1.870  -9.741   1.882
  604    HB2  LEU  80           HB2      LEU  80   1.216  -8.812  -0.933
  605    HB3  LEU  80           HB3      LEU  80   1.668  -7.809   0.448
  606    HG   LEU  80           HG       LEU  80   3.429  -9.822  -1.009
  607   HD11  LEU  80          HD11      LEU  80   3.511  -6.799  -0.594
  608   HD12  LEU  80          HD12      LEU  80   4.791  -7.749  -1.371
  609   HD13  LEU  80          HD13      LEU  80   3.173  -7.652  -2.118
  610   HD21  LEU  80          HD21      LEU  80   3.915  -9.968   1.389
  611   HD22  LEU  80          HD22      LEU  80   5.212  -9.116   0.544
  612   HD23  LEU  80          HD23      LEU  80   4.004  -8.190   1.488
  613    H    ASP  81           H        ASP  81   0.300  -8.259   2.620
  614    HA   ASP  81           HA       ASP  81  -2.517  -8.896   1.866
  615    HB2  ASP  81           HB2      ASP  81  -1.255  -8.531   4.601
  616    HB3  ASP  81           HB3      ASP  81  -2.986  -8.313   4.326
  617    H    ILE  82           H        ILE  82  -2.903  -7.201   0.551
  618    HA   ILE  82           HA       ILE  82  -1.940  -4.497   1.373
  619    HB   ILE  82           HB       ILE  82  -2.329  -5.783  -1.329
  620   HG12  ILE  82          HG12      ILE  82   0.135  -4.510  -0.082
  621   HG13  ILE  82          HG11      ILE  82  -0.268  -6.206   0.230
  622   HG21  ILE  82          HG21      ILE  82  -1.505  -2.912  -0.683
  623   HG22  ILE  82          HG22      ILE  82  -1.540  -3.653  -2.293
  624   HG23  ILE  82          HG23      ILE  82  -3.053  -3.392  -1.404
  625   HD11  ILE  82          HD11      ILE  82   0.134  -5.046  -2.536
  626   HD12  ILE  82          HD12      ILE  82   1.331  -5.994  -1.615
  627   HD13  ILE  82          HD13      ILE  82  -0.198  -6.751  -2.104
  628    H    ASN  83           H        ASN  83  -3.342  -2.754   1.293
  629    HA   ASN  83           HA       ASN  83  -6.146  -3.151   0.483
  630    HB2  ASN  83           HB2      ASN  83  -5.965  -4.163   2.756
  631    HB3  ASN  83           HB3      ASN  83  -5.342  -2.623   3.368
  632   HD21  ASN  83          HD21      ASN  83  -6.911  -1.630   4.538
  633   HD22  ASN  83          HD22      ASN  83  -8.596  -1.538   4.071
  634    H    LEU  84           H        LEU  84  -7.364  -1.161   0.486
  635    HA   LEU  84           HA       LEU  84  -5.982   1.231  -0.067
  636    HB2  LEU  84           HB2      LEU  84  -8.366   0.360  -0.597
  637    HB3  LEU  84           HB3      LEU  84  -8.815   0.925   1.006
  638    HG   LEU  84           HG       LEU  84  -9.456   2.465  -0.751
  639   HD11  LEU  84          HD11      LEU  84  -7.188   3.731   0.827
  640   HD12  LEU  84          HD12      LEU  84  -8.629   4.521   0.147
  641   HD13  LEU  84          HD13      LEU  84  -8.808   3.374   1.489
  642   HD21  LEU  84          HD21      LEU  84  -7.855   3.641  -2.137
  643   HD22  LEU  84          HD22      LEU  84  -6.491   2.848  -1.323
  644   HD23  LEU  84          HD23      LEU  84  -7.604   1.892  -2.334
  645    H    ALA  85           H        ALA  85  -5.147   2.795   1.317
  646    HA   ALA  85           HA       ALA  85  -4.662   2.058   4.001
  647    HB1  ALA  85           HB1      ALA  85  -4.317   4.747   2.633
  648    HB2  ALA  85           HB2      ALA  85  -3.537   4.237   4.138
  649    HB3  ALA  85           HB3      ALA  85  -3.138   3.406   2.609
  650    H    ALA  86           H        ALA  86  -7.610   3.157   2.943
  651    HA   ALA  86           HA       ALA  86  -8.145   4.489   5.554
  652    HB1  ALA  86           HB1      ALA  86  -9.594   6.078   4.413
  653    HB2  ALA  86           HB2      ALA  86  -7.959   6.141   3.717
  654    HB3  ALA  86           HB3      ALA  86  -9.256   5.297   2.843
  655    H    GLU  87           H        GLU  87  -8.652   1.698   4.050
  656    HA   GLU  87           HA       GLU  87 -11.440   1.481   5.054
  657    HB2  GLU  87           HB2      GLU  87 -10.481   0.472   2.357
  658    HB3  GLU  87           HB3      GLU  87 -12.071   0.177   3.081
  659    HG2  GLU  87           HG2      GLU  87 -12.551   2.601   3.060
  660    HG3  GLU  87           HG3      GLU  87 -10.973   2.905   2.310
  661    HA   PRO  88           HA       PRO  88  -8.595  -2.127   6.198
  662    HB2  PRO  88           HB2      PRO  88  -8.827  -1.928   8.929
  663    HB3  PRO  88           HB3      PRO  88  -7.555  -1.102   7.982
  664    HG2  PRO  88           HG2      PRO  88 -10.198   0.059   8.928
  665    HG3  PRO  88           HG3      PRO  88  -8.559   0.763   9.100
  666    HD2  PRO  88           HD2      PRO  88 -10.201   1.519   7.083
  667    HD3  PRO  88           HD3      PRO  88  -8.451   1.278   6.774
  668    H    LYS  89           H        LYS  89  -9.648  -4.109   6.412
  669    HA   LYS  89           HA       LYS  89 -12.522  -4.006   7.161
  670    HB2  LYS  89           HB2      LYS  89 -12.959  -5.294   4.977
  671    HB3  LYS  89           HB3      LYS  89 -12.736  -3.544   4.901
  672    HG2  LYS  89           HG2      LYS  89 -10.452  -3.782   4.083
  673    HG3  LYS  89           HG3      LYS  89 -10.493  -5.529   4.323
  674    HD2  LYS  89           HD2      LYS  89 -10.841  -5.103   1.997
  675    HD3  LYS  89           HD3      LYS  89 -12.349  -5.710   2.691
  676    HE2  LYS  89           HE2      LYS  89 -12.847  -3.855   1.189
  677    HE3  LYS  89           HE3      LYS  89 -13.189  -3.353   2.849
  678    HZ1  LYS  89           HZ1      LYS  89 -11.971  -1.693   1.606
  679    HZ2  LYS  89           HZ2      LYS  89 -11.083  -2.215   2.884
  680    HZ3  LYS  89           HZ3      LYS  89 -10.716  -2.730   1.369
  681    H    VAL  90           H        VAL  90 -10.283  -6.407   5.655
  682    HA   VAL  90           HA       VAL  90 -11.022  -8.325   7.811
  683    HB   VAL  90           HB       VAL  90 -11.406  -8.665   4.814
  684   HG11  VAL  90          HG11      VAL  90 -11.547 -10.765   7.013
  685   HG12  VAL  90          HG12      VAL  90 -12.117 -10.988   5.338
  686   HG13  VAL  90          HG13      VAL  90 -10.396 -10.718   5.651
  687   HG21  VAL  90          HG21      VAL  90 -13.310  -8.897   7.175
  688   HG22  VAL  90          HG22      VAL  90 -13.288  -7.592   5.962
  689   HG23  VAL  90          HG23      VAL  90 -13.729  -9.238   5.481
  690    H    ASN  91           H        ASN  91  -8.874  -7.295   5.181
  691    HA   ASN  91           HA       ASN  91  -7.082  -9.568   5.632
  692    HB2  ASN  91           HB2      ASN  91  -7.063  -7.274   3.646
  693    HB3  ASN  91           HB3      ASN  91  -5.815  -8.536   3.726
  694   HD21  ASN  91          HD21      ASN  91  -9.253  -7.889   3.022
  695   HD22  ASN  91          HD22      ASN  91  -9.526  -9.386   2.155
  696    H    ARG  92           H        ARG  92  -7.543  -7.337   7.703
  697    HA   ARG  92           HA       ARG  92  -4.655  -6.742   8.065
  698    HB2  ARG  92           HB2      ARG  92  -6.125  -4.719   7.788
  699    HB3  ARG  92           HB3      ARG  92  -6.967  -5.197   9.282
  700    HG2  ARG  92           HG2      ARG  92  -4.727  -5.195  10.461
  701    HG3  ARG  92           HG3      ARG  92  -3.986  -4.630   8.956
  702    HD2  ARG  92           HD2      ARG  92  -4.340  -2.699  10.340
  703    HD3  ARG  92           HD3      ARG  92  -5.532  -2.637   9.032
  704    HE   ARG  92           HE       ARG  92  -7.252  -2.975  10.565
  705   HH11  ARG  92          HH11      ARG  92  -4.125  -3.492  12.131
  706   HH12  ARG  92          HH12      ARG  92  -4.801  -3.535  13.740
  707   HH21  ARG  92          HH21      ARG  92  -8.112  -3.020  12.679
  708   HH22  ARG  92          HH22      ARG  92  -7.054  -3.257  14.051
  709    H    GLY  93           H        GLY  93  -3.716  -7.638   9.649
  710    HA2  GLY  93           HA2      GLY  93  -4.875  -8.317  12.214
  711    HA3  GLY  93           HA3      GLY  93  -4.542  -9.748  11.199
  712    H    LYS  94           H        LYS  94  -2.771 -10.371  12.689
  713    HA   LYS  94           HA       LYS  94  -0.300  -8.854  11.959
  714    HB2  LYS  94           HB2      LYS  94  -1.058  -9.798  14.739
  715    HB3  LYS  94           HB3      LYS  94   0.563  -9.255  14.246
  716    HG2  LYS  94           HG2      LYS  94  -0.453  -7.089  13.466
  717    HG3  LYS  94           HG3      LYS  94  -2.001  -7.618  14.166
  718    HD2  LYS  94           HD2      LYS  94  -0.884  -7.838  16.381
  719    HD3  LYS  94           HD3      LYS  94   0.629  -7.251  15.660
  720    HE2  LYS  94           HE2      LYS  94  -2.009  -5.720  15.719
  721    HE3  LYS  94           HE3      LYS  94  -0.659  -5.455  16.840
  722    HZ1  LYS  94           HZ1      LYS  94  -0.558  -5.069  13.926
  723    HZ2  LYS  94           HZ2      LYS  94  -0.609  -3.883  15.053
  724    HZ3  LYS  94           HZ3      LYS  94   0.706  -4.863  14.959
  725    H    ALA  95           H        ALA  95  -1.931 -11.905  12.592
  726    HA   ALA  95           HA       ALA  95   0.128 -13.355  11.173
  727    HB1  ALA  95           HB1      ALA  95   0.715 -14.851  13.059
  728    HB2  ALA  95           HB2      ALA  95   1.189 -13.177  13.404
  729    HB3  ALA  95           HB3      ALA  95  -0.273 -13.850  14.157
  730    H    GLY  96           H        GLY  96  -0.449 -15.842  11.402
  731    HA2  GLY  96           HA2      GLY  96  -3.207 -16.223  10.700
  732    HA3  GLY  96           HA3      GLY  96  -1.987 -17.483  10.977
  733    H    VAL  97           H        VAL  97  -1.636 -15.935  13.743
  734    HA   VAL  97           HA       VAL  97  -3.898 -17.302  15.106
  735    HB   VAL  97           HB       VAL  97  -1.721 -18.124  15.766
  736   HG11  VAL  97          HG11      VAL  97  -0.089 -16.728  16.934
  737   HG12  VAL  97          HG12      VAL  97  -0.347 -16.121  15.289
  738   HG13  VAL  97          HG13      VAL  97  -1.089 -15.286  16.674
  739   HG21  VAL  97          HG21      VAL  97  -3.554 -17.966  17.442
  740   HG22  VAL  97          HG22      VAL  97  -1.943 -17.837  18.174
  741   HG23  VAL  97          HG23      VAL  97  -2.935 -16.378  17.946
  742    H    LYS  98           H        LYS  98  -5.405 -16.131  16.120
  743    HA   LYS  98           HA       LYS  98  -5.141 -13.186  15.917
  744    HB2  LYS  98           HB2      LYS  98  -7.529 -15.056  15.902
  745    HB3  LYS  98           HB3      LYS  98  -7.671 -13.303  16.069
  746    HG2  LYS  98           HG2      LYS  98  -8.006 -13.862  13.771
  747    HG3  LYS  98           HG3      LYS  98  -6.486 -12.966  13.943
  748    HD2  LYS  98           HD2      LYS  98  -5.198 -15.034  13.659
  749    HD3  LYS  98           HD3      LYS  98  -6.696 -15.997  13.657
  750    HE2  LYS  98           HE2      LYS  98  -5.869 -15.678  11.385
  751    HE3  LYS  98           HE3      LYS  98  -7.401 -14.813  11.586
  752    HZ1  LYS  98           HZ1      LYS  98  -5.761 -13.497  10.452
  753    HZ2  LYS  98           HZ2      LYS  98  -6.127 -12.795  11.893
  754    HZ3  LYS  98           HZ3      LYS  98  -4.711 -13.620  11.710
  755    H    ARG  99           H        ARG  99  -4.099 -14.942  18.152
  756    HA   ARG  99           HA       ARG  99  -5.506 -13.563  20.398
  757    HB2  ARG  99           HB2      ARG  99  -4.524 -16.387  20.109
  758    HB3  ARG  99           HB3      ARG  99  -4.457 -15.592  21.693
  759    HG2  ARG  99           HG2      ARG  99  -6.822 -14.932  21.488
  760    HG3  ARG  99           HG3      ARG  99  -6.936 -15.796  19.934
  761    HD2  ARG  99           HD2      ARG  99  -6.291 -17.894  21.074
  762    HD3  ARG  99           HD3      ARG  99  -6.170 -17.013  22.613
  763    HE   ARG  99           HE       ARG  99  -8.492 -16.938  22.789
  764   HH11  ARG  99          HH11      ARG  99  -7.573 -18.211  19.617
  765   HH12  ARG  99          HH12      ARG  99  -9.193 -18.760  19.245
  766   HH21  ARG  99          HH21      ARG  99 -10.579 -17.650  22.270
  767   HH22  ARG  99          HH22      ARG  99 -10.894 -18.435  20.738
  768    H    SER 100           H        SER 100  -4.034 -13.428  22.358
  769    HA   SER 100           HA       SER 100  -1.842 -11.758  21.578
  770    HB2  SER 100           HB2      SER 100  -3.392 -11.583  23.603
  771    HB3  SER 100           HB3      SER 100  -2.422 -12.876  24.330
  772    HG   SER 100           HG       SER 100  -1.669 -10.777  24.897
  773    H    ALA 101           H        ALA 101  -2.109 -15.123  21.909
  774    HA   ALA 101           HA       ALA 101  -0.731 -16.862  22.225
  775    HB1  ALA 101           HB1      ALA 101   1.467 -16.726  21.150
  776    HB2  ALA 101           HB2      ALA 101   0.217 -15.930  20.164
  777    HB3  ALA 101           HB3      ALA 101   1.355 -14.954  21.125
  778    H    ALA 102           H        ALA 102  -0.717 -14.483  24.367
  779    HA   ALA 102           HA       ALA 102   1.054 -15.963  26.183
  780    HB1  ALA 102           HB1      ALA 102   1.358 -12.979  25.659
  781    HB2  ALA 102           HB2      ALA 102   2.214 -13.917  26.905
  782    HB3  ALA 102           HB3      ALA 102   2.514 -14.248  25.186
  783    H    GLU 103           H        GLU 103  -1.930 -14.908  25.601
  784    HA   GLU 103           HA       GLU 103  -2.558 -13.356  27.940
  785    HB2  GLU 103           HB2      GLU 103  -4.901 -13.713  27.195
  786    HB3  GLU 103           HB3      GLU 103  -3.833 -13.137  25.902
  787    HG2  GLU 103           HG2      GLU 103  -3.589 -15.534  25.132
  788    HG3  GLU 103           HG3      GLU 103  -4.799 -15.993  26.339
  789    H    MET 104           H        MET 104  -1.785 -16.598  27.629
  790    HA   MET 104           HA       MET 104  -3.542 -17.456  29.864
  791    HB2  MET 104           HB2      MET 104  -1.795 -19.019  27.931
  792    HB3  MET 104           HB3      MET 104  -2.764 -19.738  29.233
  793    HG2  MET 104           HG2      MET 104  -4.815 -18.836  28.267
  794    HG3  MET 104           HG3      MET 104  -3.907 -18.020  26.996
  795    HE1  MET 104           HE1      MET 104  -1.757 -20.074  26.020
  796    HE2  MET 104           HE2      MET 104  -2.662 -20.842  24.700
  797    HE3  MET 104           HE3      MET 104  -2.815 -19.091  24.980
  798    H    TYR 105           H        TYR 105  -0.738 -15.847  29.645
  799    HA   TYR 105           HA       TYR 105   0.427 -17.236  32.002
  800    HB2  TYR 105           HB2      TYR 105   2.019 -16.086  29.690
  801    HB3  TYR 105           HB3      TYR 105   2.656 -16.937  31.096
  802    HD1  TYR 105           HD1      TYR 105   2.351 -19.388  31.334
  803    HD2  TYR 105           HD2      TYR 105   1.037 -17.266  27.832
  804    HE1  TYR 105           HE1      TYR 105   2.154 -21.539  30.106
  805    HE2  TYR 105           HE2      TYR 105   0.838 -19.403  26.593
  806    HH   TYR 105           HH       TYR 105   1.594 -22.555  28.128
  807    H    GLY 106           H        GLY 106  -1.064 -14.514  30.976
  808    HA2  GLY 106           HA2      GLY 106   0.649 -12.391  31.856
  809    HA3  GLY 106           HA3      GLY 106  -1.111 -12.317  31.640
  810    H5'    U   1           H5'        U   1   3.378  -6.532  10.959
  811   H5''    U   1          H5''        U   1   1.851  -7.396  10.719
  812    H4'    U   1           H4'        U   1   2.863  -4.897   9.311
  813    H3'    U   1           H3'        U   1   1.431  -5.116  11.610
  814    H2'    U   1           H2'        U   1  -0.267  -6.511  10.834
  815   HO2'    U   1          HO2'        U   1  -1.151  -4.262  11.329
  816    H1'    U   1           H1'        U   1  -0.573  -5.089   8.225
  817    H3     U   1           H3         U   1  -3.254  -8.344   6.694
  818    H5     U   1           H5         U   1  -0.636 -10.439   9.228
  819    H6     U   1           H6         U   1   0.504  -8.359   9.678
  820    H5'    U   2           H5'        U   2   1.372  -0.664   9.395
  821   H5''    U   2          H5''        U   2   1.746  -0.031  11.009
  822    H4'    U   2           H4'        U   2   0.956   1.815   9.759
  823    H3'    U   2           H3'        U   2  -0.491   0.909  12.064
  824    H2'    U   2           H2'        U   2  -2.396   0.344  10.800
  825   HO2'    U   2          HO2'        U   2  -2.543   3.152  11.257
  826    H1'    U   2           H1'        U   2  -1.659   2.697   9.033
  827    H3     U   2           H3         U   2  -5.125   2.429   6.206
  828    H5     U   2           H5         U   2  -4.730  -1.536   7.523
  829    H6     U   2           H6         U   2  -2.908  -0.824   8.951
  830    H5'    U   3           H5'        U   3   2.720   2.264  10.516
  831   H5''    U   3          H5''        U   3   3.607   2.904  11.907
  832    H4'    U   3           H4'        U   3   4.918   3.436  10.005
  833    H3'    U   3           H3'        U   3   4.050   5.447  11.654
  834    H2'    U   3           H2'        U   3   2.240   6.174  10.322
  835   HO2'    U   3          HO2'        U   3   4.163   7.803  10.297
  836    H1'    U   3           H1'        U   3   3.814   5.788   7.786
  837    H3     U   3           H3         U   3   0.189   6.706   5.287
  838    H5     U   3           H5         U   3  -1.466   4.768   8.635
  839    H6     U   3           H6         U   3   0.773   4.576   9.552
  840    H5'    U   4           H5'        U   4   8.068   4.984   9.893
  841   H5''    U   4          H5''        U   4   9.085   5.650  11.181
  842    H4'    U   4           H4'        U   4  10.341   5.247   9.080
  843    H3'    U   4           H3'        U   4  10.587   7.447  10.716
  844    H2'    U   4           H2'        U   4   9.152   8.879   9.497
  845   HO2'    U   4          HO2'        U   4  10.515  10.185   8.119
  846    H1'    U   4           H1'        U   4  10.198   7.887   6.850
  847    H3     U   4           H3         U   4   7.452  11.264   5.511
  848    H5     U   4           H5         U   4   4.900   8.414   7.250
  849    H6     U   4           H6         U   4   6.859   7.229   8.039
  850    H5'    C   5           H5'        C   5  13.771   8.855  10.425
  851   H5''    C   5          H5''        C   5  15.157   7.848  10.895
  852    H4'    C   5           H4'        C   5  13.222   9.116  12.895
  853    H3'    C   5           H3'        C   5  14.758  10.728  11.419
  854    H2'    C   5           H2'        C   5  16.692   9.373  11.381
  855   HO2'    C   5          HO2'        C   5  17.345  11.427  12.177
  856    H1'    C   5           H1'        C   5  16.698   8.883  14.333
  857    H41    C   5           H41        C   5  19.159   3.282  12.097
  858    H42    C   5           H42        C   5  20.224   4.319  11.168
  859    H5     C   5           H5         C   5  19.942   6.761  11.081
  860    H6     C   5           H6         C   5  18.579   8.603  11.822
  Start of MODEL   18
    1    H1   ALA   2           H1       ALA   2  11.680   8.643  -5.739
    2    H2   ALA   2           H2       ALA   2  11.109   7.247  -5.059
    3    H3   ALA   2           H3       ALA   2  10.624   7.686  -6.580
    4    HA   ALA   2           HA       ALA   2   9.516   9.612  -5.735
    5    HB1  ALA   2           HB1      ALA   2   7.655   8.451  -4.626
    6    HB2  ALA   2           HB2      ALA   2   8.251   7.501  -6.002
    7    HB3  ALA   2           HB3      ALA   2   8.689   7.032  -4.344
    8    H    SER   3           H        SER   3   8.444  10.511  -3.698
    9    HA   SER   3           HA       SER   3  10.506  11.225  -1.838
   10    HB2  SER   3           HB2      SER   3   7.498  11.658  -1.725
   11    HB3  SER   3           HB3      SER   3   8.713  12.506  -0.744
   12    HG   SER   3           HG       SER   3   9.604  13.308  -2.669
   13    H    ASN   4           H        ASN   4  10.373  11.014   0.518
   14    HA   ASN   4           HA       ASN   4   9.823   8.237   1.265
   15    HB2  ASN   4           HB2      ASN   4  11.921   9.537   1.828
   16    HB3  ASN   4           HB3      ASN   4  10.940  10.542   2.905
   17   HD21  ASN   4          HD21      ASN   4  12.450   9.819   4.578
   18   HD22  ASN   4          HD22      ASN   4  12.185   8.268   5.345
   19    H    VAL   5           H        VAL   5   7.864  10.895   1.034
   20    HA   VAL   5           HA       VAL   5   6.557  10.601   3.657
   21    HB   VAL   5           HB       VAL   5   6.146  12.536   1.357
   22   HG11  VAL   5          HG11      VAL   5   4.034  12.194   2.622
   23   HG12  VAL   5          HG12      VAL   5   4.904  12.502   4.146
   24   HG13  VAL   5          HG13      VAL   5   4.728  13.794   2.938
   25   HG21  VAL   5          HG21      VAL   5   8.268  12.833   2.588
   26   HG22  VAL   5          HG22      VAL   5   7.142  14.150   2.960
   27   HG23  VAL   5          HG23      VAL   5   7.376  12.834   4.131
   28    H    THR   6           H        THR   6   4.698   9.616   4.032
   29    HA   THR   6           HA       THR   6   2.860   8.951   1.831
   30    HB   THR   6           HB       THR   6   2.690   6.592   2.594
   31    HG1  THR   6           HG1      THR   6   3.599   6.766   4.629
   32   HG21  THR   6          HG21      THR   6   5.499   7.311   1.693
   33   HG22  THR   6          HG22      THR   6   4.692   5.742   1.520
   34   HG23  THR   6          HG23      THR   6   4.079   7.146   0.623
   35    H    ASN   7           H        ASN   7   3.217  10.361   4.786
   36    HA   ASN   7           HA       ASN   7   0.638   9.237   5.786
   37    HB2  ASN   7           HB2      ASN   7   2.598   8.947   7.250
   38    HB3  ASN   7           HB3      ASN   7   2.785  10.705   7.341
   39   HD21  ASN   7          HD21      ASN   7   2.500   9.397   9.666
   40   HD22  ASN   7          HD22      ASN   7   0.912   9.675  10.357
   41    H    LYS   8           H        LYS   8  -0.875  10.414   4.791
   42    HA   LYS   8           HA       LYS   8  -1.149  13.223   5.662
   43    HB2  LYS   8           HB2      LYS   8  -1.365  12.293   2.767
   44    HB3  LYS   8           HB3      LYS   8  -1.962  13.848   3.374
   45    HG2  LYS   8           HG2      LYS   8   0.368  14.337   4.222
   46    HG3  LYS   8           HG3      LYS   8   0.925  12.888   3.354
   47    HD2  LYS   8           HD2      LYS   8  -0.482  15.284   2.104
   48    HD3  LYS   8           HD3      LYS   8   1.262  14.972   2.054
   49    HE2  LYS   8           HE2      LYS   8   0.849  12.853   0.844
   50    HE3  LYS   8           HE3      LYS   8  -0.897  13.153   0.897
   51    HZ1  LYS   8           HZ1      LYS   8   1.089  14.866  -0.451
   52    HZ2  LYS   8           HZ2      LYS   8   0.043  13.837  -1.194
   53    HZ3  LYS   8           HZ3      LYS   8  -0.531  15.142  -0.389
   54    H    THR   9           H        THR   9  -3.338  13.863   5.863
   55    HA   THR   9           HA       THR   9  -5.234  11.565   5.808
   56    HB   THR   9           HB       THR   9  -6.301  12.622   7.794
   57    HG1  THR   9           HG1      THR   9  -5.107  14.226   8.850
   58   HG21  THR   9          HG21      THR   9  -4.652  10.787   8.029
   59   HG22  THR   9          HG22      THR   9  -3.332  11.975   8.108
   60   HG23  THR   9          HG23      THR   9  -4.559  11.920   9.392
   61    H    ASP  10           H        ASP  10  -4.626  13.959   3.875
   62    HA   ASP  10           HA       ASP  10  -6.970  15.570   3.819
   63    HB2  ASP  10           HB2      ASP  10  -5.094  14.693   1.590
   64    HB3  ASP  10           HB3      ASP  10  -6.293  15.983   1.451
   65    HA   PRO  11           HA       PRO  11 -10.102  12.860   2.576
   66    HB2  PRO  11           HB2      PRO  11 -11.754  14.412   1.035
   67    HB3  PRO  11           HB3      PRO  11 -11.518  14.669   2.796
   68    HG2  PRO  11           HG2      PRO  11 -10.095  16.075   0.510
   69    HG3  PRO  11           HG3      PRO  11 -10.932  16.824   1.915
   70    HD2  PRO  11           HD2      PRO  11  -8.259  16.438   1.938
   71    HD3  PRO  11           HD3      PRO  11  -9.226  16.109   3.408
   72    H    ARG  12           H        ARG  12  -7.784  13.716   0.336
   73    HA   ARG  12           HA       ARG  12  -8.942  11.806  -1.645
   74    HB2  ARG  12           HB2      ARG  12  -8.863  14.428  -2.143
   75    HB3  ARG  12           HB3      ARG  12  -7.195  14.048  -2.604
   76    HG2  ARG  12           HG2      ARG  12  -9.699  12.669  -3.667
   77    HG3  ARG  12           HG3      ARG  12  -8.855  13.995  -4.476
   78    HD2  ARG  12           HD2      ARG  12  -7.743  11.223  -3.904
   79    HD3  ARG  12           HD3      ARG  12  -8.227  11.853  -5.477
   80    HE   ARG  12           HE       ARG  12  -5.732  12.340  -4.091
   81   HH11  ARG  12          HH11      ARG  12  -7.990  13.670  -6.463
   82   HH12  ARG  12          HH12      ARG  12  -6.775  14.672  -7.228
   83   HH21  ARG  12          HH21      ARG  12  -4.174  13.663  -5.109
   84   HH22  ARG  12          HH22      ARG  12  -4.628  14.672  -6.460
   85    H    SER  13           H        SER  13  -6.033  13.242  -0.107
   86    HA   SER  13           HA       SER  13  -4.194  11.516  -1.508
   87    HB2  SER  13           HB2      SER  13  -3.841  12.975   1.134
   88    HB3  SER  13           HB3      SER  13  -2.556  12.330   0.097
   89    HG   SER  13           HG       SER  13  -3.272  13.764  -1.539
   90    H    MET  14           H        MET  14  -6.149  11.147   1.446
   91    HA   MET  14           HA       MET  14  -4.675   8.812   2.351
   92    HB2  MET  14           HB2      MET  14  -5.745  10.002   4.054
   93    HB3  MET  14           HB3      MET  14  -7.224  10.247   3.105
   94    HG2  MET  14           HG2      MET  14  -7.888   7.996   3.334
   95    HG3  MET  14           HG3      MET  14  -6.325   7.508   4.001
   96    HE1  MET  14           HE1      MET  14  -5.905   7.100   6.291
   97    HE2  MET  14           HE2      MET  14  -5.392   8.805   6.291
   98    HE3  MET  14           HE3      MET  14  -6.379   8.176   7.629
   99    H    ASN  15           H        ASN  15  -7.175   9.429  -0.011
  100    HA   ASN  15           HA       ASN  15  -7.909   6.561  -0.081
  101    HB2  ASN  15           HB2      ASN  15  -8.983   9.005  -1.533
  102    HB3  ASN  15           HB3      ASN  15  -9.529   7.344  -1.834
  103   HD21  ASN  15          HD21      ASN  15  -9.358   9.935   0.625
  104   HD22  ASN  15          HD22      ASN  15 -10.618   9.278   1.647
  105    H    SER  16           H        SER  16  -5.703   8.753  -1.536
  106    HA   SER  16           HA       SER  16  -5.259   7.019  -3.883
  107    HB2  SER  16           HB2      SER  16  -3.808   9.550  -3.038
  108    HB3  SER  16           HB3      SER  16  -3.757   8.756  -4.631
  109    HG   SER  16           HG       SER  16  -6.005   9.950  -3.370
  110    H    ARG  17           H        ARG  17  -4.538   6.590  -0.775
  111    HA   ARG  17           HA       ARG  17  -1.685   5.828  -1.187
  112    HB2  ARG  17           HB2      ARG  17  -2.250   7.368   0.668
  113    HB3  ARG  17           HB3      ARG  17  -3.267   6.091   1.384
  114    HG2  ARG  17           HG2      ARG  17  -1.404   4.660   1.762
  115    HG3  ARG  17           HG3      ARG  17  -0.365   5.588   0.657
  116    HD2  ARG  17           HD2      ARG  17   0.207   5.987   3.014
  117    HD3  ARG  17           HD3      ARG  17  -0.265   7.443   2.131
  118    HE   ARG  17           HE       ARG  17  -1.903   6.009   4.182
  119   HH11  ARG  17          HH11      ARG  17  -1.339   8.879   2.171
  120   HH12  ARG  17          HH12      ARG  17  -2.447   9.868   3.100
  121   HH21  ARG  17          HH21      ARG  17  -3.269   7.357   5.384
  122   HH22  ARG  17          HH22      ARG  17  -3.524   9.023   4.895
  123    H    VAL  18           H        VAL  18  -0.985   3.743  -0.571
  124    HA   VAL  18           HA       VAL  18  -3.113   1.701  -0.141
  125    HB   VAL  18           HB       VAL  18  -0.693   1.451  -1.961
  126   HG11  VAL  18          HG11      VAL  18  -2.904  -0.502  -1.210
  127   HG12  VAL  18          HG12      VAL  18  -1.718  -0.750  -2.518
  128   HG13  VAL  18          HG13      VAL  18  -1.169  -0.663  -0.836
  129   HG21  VAL  18          HG21      VAL  18  -2.462   2.785  -2.999
  130   HG22  VAL  18          HG22      VAL  18  -2.480   1.150  -3.703
  131   HG23  VAL  18          HG23      VAL  18  -3.689   1.598  -2.481
  132    H    PHE  19           H        PHE  19  -2.793   0.424   1.514
  133    HA   PHE  19           HA       PHE  19  -0.231   0.485   2.982
  134    HB2  PHE  19           HB2      PHE  19  -2.278   0.780   4.263
  135    HB3  PHE  19           HB3      PHE  19  -2.969  -0.684   3.564
  136    HD1  PHE  19           HD1      PHE  19   0.088   0.386   5.470
  137    HD2  PHE  19           HD2      PHE  19  -2.867  -2.656   4.787
  138    HE1  PHE  19           HE1      PHE  19   1.020  -0.936   7.350
  139    HE2  PHE  19           HE2      PHE  19  -1.911  -3.996   6.651
  140    HZ   PHE  19           HZ       PHE  19   0.027  -3.136   7.932
  141    H    ILE  20           H        ILE  20   1.135  -1.239   3.123
  142    HA   ILE  20           HA       ILE  20   0.361  -3.744   1.705
  143    HB   ILE  20           HB       ILE  20   3.051  -2.342   1.767
  144   HG12  ILE  20          HG12      ILE  20   1.369  -2.941  -0.694
  145   HG13  ILE  20          HG11      ILE  20   1.183  -1.433   0.210
  146   HG21  ILE  20          HG21      ILE  20   2.210  -4.949   0.406
  147   HG22  ILE  20          HG22      ILE  20   3.790  -4.165   0.212
  148   HG23  ILE  20          HG23      ILE  20   3.305  -4.810   1.791
  149   HD11  ILE  20          HD11      ILE  20   3.774  -2.428  -1.042
  150   HD12  ILE  20          HD12      ILE  20   2.732  -1.123  -1.649
  151   HD13  ILE  20          HD13      ILE  20   3.582  -0.936  -0.092
  152    H    GLY  21           H        GLY  21  -0.381  -4.491   3.738
  153    HA2  GLY  21           HA2      GLY  21   1.562  -4.802   5.921
  154    HA3  GLY  21           HA3      GLY  21  -0.118  -5.330   5.930
  155    H    ASN  22           H        ASN  22   1.455  -7.128   6.931
  156    HA   ASN  22           HA       ASN  22   2.465  -9.128   6.801
  157    HB2  ASN  22           HB2      ASN  22   0.125  -9.696   6.177
  158    HB3  ASN  22           HB3      ASN  22   0.585  -9.602   4.479
  159   HD21  ASN  22          HD21      ASN  22  -0.146 -11.904   4.494
  160   HD22  ASN  22          HD22      ASN  22   1.039 -13.135   4.903
  161    H    LEU  23           H        LEU  23   4.084  -7.221   5.705
  162    HA   LEU  23           HA       LEU  23   5.117  -8.322   3.154
  163    HB2  LEU  23           HB2      LEU  23   4.567  -5.926   3.281
  164    HB3  LEU  23           HB3      LEU  23   5.672  -5.733   4.642
  165    HG   LEU  23           HG       LEU  23   7.581  -6.359   3.193
  166   HD11  LEU  23          HD11      LEU  23   5.488  -6.424   0.978
  167   HD12  LEU  23          HD12      LEU  23   7.248  -6.429   0.726
  168   HD13  LEU  23          HD13      LEU  23   6.474  -7.796   1.549
  169   HD21  LEU  23          HD21      LEU  23   6.833  -3.996   3.473
  170   HD22  LEU  23          HD22      LEU  23   7.599  -4.283   1.896
  171   HD23  LEU  23          HD23      LEU  23   5.830  -4.165   2.014
  172    H    ASN  24           H        ASN  24   7.306  -9.030   2.965
  173    HA   ASN  24           HA       ASN  24   8.285 -10.282   5.365
  174    HB2  ASN  24           HB2      ASN  24   8.504 -11.157   2.974
  175    HB3  ASN  24           HB3      ASN  24   9.719  -9.913   2.707
  176   HD21  ASN  24          HD21      ASN  24  11.565 -11.135   2.521
  177   HD22  ASN  24          HD22      ASN  24  12.161 -12.217   3.767
  178    H    THR  25           H        THR  25   9.230  -7.472   3.470
  179    HA   THR  25           HA       THR  25  10.644  -5.779   3.697
  180    HB   THR  25           HB       THR  25  10.709  -4.605   5.806
  181    HG1  THR  25           HG1      THR  25  10.950  -6.462   7.164
  182   HG21  THR  25          HG21      THR  25   8.021  -5.949   5.324
  183   HG22  THR  25          HG22      THR  25   8.282  -4.391   6.132
  184   HG23  THR  25          HG23      THR  25   8.674  -4.556   4.409
  185    H    LEU  26           H        LEU  26  11.769  -8.730   4.735
  186    HA   LEU  26           HA       LEU  26  14.413  -7.788   5.578
  187    HB2  LEU  26           HB2      LEU  26  13.130 -10.468   4.966
  188    HB3  LEU  26           HB3      LEU  26  14.822 -10.305   5.465
  189    HG   LEU  26           HG       LEU  26  12.445  -9.271   7.086
  190   HD11  LEU  26          HD11      LEU  26  12.336 -11.691   6.831
  191   HD12  LEU  26          HD12      LEU  26  14.028 -11.853   7.363
  192   HD13  LEU  26          HD13      LEU  26  12.782 -11.258   8.498
  193   HD21  LEU  26          HD21      LEU  26  14.584  -8.154   7.593
  194   HD22  LEU  26          HD22      LEU  26  14.089  -9.210   8.931
  195   HD23  LEU  26          HD23      LEU  26  15.369  -9.739   7.812
  196    H    VAL  27           H        VAL  27  12.770  -8.587   2.616
  197    HA   VAL  27           HA       VAL  27  15.402  -8.566   1.182
  198    HB   VAL  27           HB       VAL  27  12.856 -10.067   0.466
  199   HG11  VAL  27          HG11      VAL  27  15.591  -9.981  -0.883
  200   HG12  VAL  27          HG12      VAL  27  14.275 -11.101  -1.302
  201   HG13  VAL  27          HG13      VAL  27  14.060  -9.362  -1.555
  202   HG21  VAL  27          HG21      VAL  27  14.236 -12.080   0.889
  203   HG22  VAL  27          HG22      VAL  27  15.591 -11.046   1.398
  204   HG23  VAL  27          HG23      VAL  27  14.094 -11.092   2.354
  205    H    VAL  28           H        VAL  28  12.124  -7.245   1.381
  206    HA   VAL  28           HA       VAL  28  12.625  -5.691  -1.100
  207    HB   VAL  28           HB       VAL  28  10.077  -6.042   0.516
  208   HG11  VAL  28          HG11      VAL  28  10.580  -4.737  -2.198
  209   HG12  VAL  28          HG12      VAL  28   8.988  -5.038  -1.469
  210   HG13  VAL  28          HG13      VAL  28  10.104  -3.897  -0.699
  211   HG21  VAL  28          HG21      VAL  28  10.728  -8.124  -0.595
  212   HG22  VAL  28          HG22      VAL  28   9.380  -7.381  -1.478
  213   HG23  VAL  28          HG23      VAL  28  11.032  -7.251  -2.117
  214    H    LYS  29           H        LYS  29  12.571  -3.443  -1.119
  215    HA   LYS  29           HA       LYS  29  12.581  -2.048   1.516
  216    HB2  LYS  29           HB2      LYS  29  14.672  -1.640  -0.662
  217    HB3  LYS  29           HB3      LYS  29  14.549  -0.790   0.877
  218    HG2  LYS  29           HG2      LYS  29  16.170  -2.294   1.426
  219    HG3  LYS  29           HG3      LYS  29  14.749  -3.230   1.913
  220    HD2  LYS  29           HD2      LYS  29  14.826  -4.420  -0.294
  221    HD3  LYS  29           HD3      LYS  29  16.231  -3.429  -0.755
  222    HE2  LYS  29           HE2      LYS  29  17.492  -4.333   1.169
  223    HE3  LYS  29           HE3      LYS  29  16.094  -5.335   1.613
  224    HZ1  LYS  29           HZ1      LYS  29  17.693  -6.564   0.318
  225    HZ2  LYS  29           HZ2      LYS  29  16.281  -6.416  -0.517
  226    HZ3  LYS  29           HZ3      LYS  29  17.579  -5.495  -0.924
  227    H    LYS  30           H        LYS  30  12.679   0.389   1.109
  228    HA   LYS  30           HA       LYS  30  10.401   1.131  -0.468
  229    HB2  LYS  30           HB2      LYS  30  10.976   3.415   0.298
  230    HB3  LYS  30           HB3      LYS  30  10.922   2.214   1.599
  231    HG2  LYS  30           HG2      LYS  30  13.558   2.044   1.040
  232    HG3  LYS  30           HG3      LYS  30  13.280   3.708   0.491
  233    HD2  LYS  30           HD2      LYS  30  12.520   2.520   3.190
  234    HD3  LYS  30           HD3      LYS  30  13.920   3.569   2.905
  235    HE2  LYS  30           HE2      LYS  30  12.447   5.413   2.212
  236    HE3  LYS  30           HE3      LYS  30  11.021   4.378   2.400
  237    HZ1  LYS  30           HZ1      LYS  30  11.351   5.797   4.287
  238    HZ2  LYS  30           HZ2      LYS  30  11.518   4.222   4.745
  239    HZ3  LYS  30           HZ3      LYS  30  12.848   5.175   4.567
  240    H    SER  31           H        SER  31  13.544   0.493  -1.412
  241    HA   SER  31           HA       SER  31  13.428   2.294  -3.769
  242    HB2  SER  31           HB2      SER  31  15.598   0.379  -2.836
  243    HB3  SER  31           HB3      SER  31  15.719   1.538  -4.179
  244    HG   SER  31           HG       SER  31  15.417   3.209  -2.675
  245    H    ASP  32           H        ASP  32  12.121  -0.621  -2.878
  246    HA   ASP  32           HA       ASP  32  12.350  -1.772  -5.620
  247    HB2  ASP  32           HB2      ASP  32  12.016  -3.022  -2.871
  248    HB3  ASP  32           HB3      ASP  32  11.737  -3.904  -4.364
  249    H    VAL  33           H        VAL  33  10.194  -0.874  -2.887
  250    HA   VAL  33           HA       VAL  33   7.798  -1.951  -4.024
  251    HB   VAL  33           HB       VAL  33   8.318   0.342  -2.100
  252   HG11  VAL  33          HG11      VAL  33   5.711  -1.135  -2.690
  253   HG12  VAL  33          HG12      VAL  33   5.960   0.101  -1.441
  254   HG13  VAL  33          HG13      VAL  33   6.062   0.544  -3.158
  255   HG21  VAL  33          HG21      VAL  33   9.060  -1.864  -1.290
  256   HG22  VAL  33          HG22      VAL  33   7.603  -1.347  -0.415
  257   HG23  VAL  33          HG23      VAL  33   7.479  -2.567  -1.702
  258    H    GLU  34           H        GLU  34   9.647   1.039  -4.534
  259    HA   GLU  34           HA       GLU  34   7.552   2.254  -6.147
  260    HB2  GLU  34           HB2      GLU  34   9.160   4.029  -6.540
  261    HB3  GLU  34           HB3      GLU  34   9.047   3.638  -4.817
  262    HG2  GLU  34           HG2      GLU  34  11.117   2.291  -4.967
  263    HG3  GLU  34           HG3      GLU  34  11.212   2.613  -6.704
  264    H    ALA  35           H        ALA  35   9.255  -0.410  -6.797
  265    HA   ALA  35           HA       ALA  35   9.355   0.216  -9.705
  266    HB1  ALA  35           HB1      ALA  35  11.195  -1.614  -8.111
  267    HB2  ALA  35           HB2      ALA  35  11.232  -1.384  -9.868
  268    HB3  ALA  35           HB3      ALA  35  11.629  -0.026  -8.793
  269    H    ILE  36           H        ILE  36   7.909  -1.554  -7.203
  270    HA   ILE  36           HA       ILE  36   7.049  -3.726  -9.064
  271    HB   ILE  36           HB       ILE  36   7.078  -3.539  -6.033
  272   HG12  ILE  36          HG12      ILE  36   8.619  -5.433  -7.855
  273   HG13  ILE  36          HG11      ILE  36   9.278  -3.882  -7.321
  274   HG21  ILE  36          HG21      ILE  36   6.189  -5.818  -7.852
  275   HG22  ILE  36          HG22      ILE  36   6.345  -5.918  -6.084
  276   HG23  ILE  36          HG23      ILE  36   5.134  -4.852  -6.793
  277   HD11  ILE  36          HD11      ILE  36   8.422  -6.167  -5.500
  278   HD12  ILE  36          HD12      ILE  36  10.078  -5.631  -5.833
  279   HD13  ILE  36          HD13      ILE  36   8.968  -4.564  -4.947
  280    H    PHE  37           H        PHE  37   5.986  -1.001  -7.081
  281    HA   PHE  37           HA       PHE  37   3.157  -1.649  -7.705
  282    HB2  PHE  37           HB2      PHE  37   4.465   0.142  -5.640
  283    HB3  PHE  37           HB3      PHE  37   2.740   0.167  -5.983
  284    HD1  PHE  37           HD1      PHE  37   5.508  -2.057  -4.848
  285    HD2  PHE  37           HD2      PHE  37   1.267  -1.401  -5.040
  286    HE1  PHE  37           HE1      PHE  37   5.138  -3.987  -3.320
  287    HE2  PHE  37           HE2      PHE  37   0.893  -3.311  -3.512
  288    HZ   PHE  37           HZ       PHE  37   2.839  -4.602  -2.635
  289    H    SER  38           H        SER  38   5.730   0.144  -8.943
  290    HA   SER  38           HA       SER  38   4.287   2.561  -9.658
  291    HB2  SER  38           HB2      SER  38   6.279   2.963 -11.079
  292    HB3  SER  38           HB3      SER  38   6.708   2.552  -9.402
  293    HG   SER  38           HG       SER  38   7.942   1.392 -10.962
  294    H    LYS  39           H        LYS  39   4.306  -0.644 -10.848
  295    HA   LYS  39           HA       LYS  39   3.667   0.048 -13.617
  296    HB2  LYS  39           HB2      LYS  39   3.542  -2.361 -13.925
  297    HB3  LYS  39           HB3      LYS  39   4.989  -1.932 -12.988
  298    HG2  LYS  39           HG2      LYS  39   3.531  -2.353 -10.889
  299    HG3  LYS  39           HG3      LYS  39   2.399  -3.164 -11.995
  300    HD2  LYS  39           HD2      LYS  39   5.345  -3.821 -11.614
  301    HD3  LYS  39           HD3      LYS  39   4.006  -4.748 -10.922
  302    HE2  LYS  39           HE2      LYS  39   4.493  -4.349 -13.908
  303    HE3  LYS  39           HE3      LYS  39   4.930  -5.795 -12.991
  304    HZ1  LYS  39           HZ1      LYS  39   2.197  -4.764 -13.352
  305    HZ2  LYS  39           HZ2      LYS  39   2.842  -6.090 -14.080
  306    HZ3  LYS  39           HZ3      LYS  39   2.602  -6.081 -12.451
  307    H    TYR  40           H        TYR  40   1.893  -0.054 -10.701
  308    HA   TYR  40           HA       TYR  40  -0.655  -0.505 -12.176
  309    HB2  TYR  40           HB2      TYR  40  -0.109  -0.499  -9.191
  310    HB3  TYR  40           HB3      TYR  40  -1.650  -0.851  -9.977
  311    HD1  TYR  40           HD1      TYR  40  -1.816  -2.870 -11.521
  312    HD2  TYR  40           HD2      TYR  40   1.526  -2.183  -8.910
  313    HE1  TYR  40           HE1      TYR  40  -1.119  -5.232 -11.806
  314    HE2  TYR  40           HE2      TYR  40   2.242  -4.540  -9.190
  315    HH   TYR  40           HH       TYR  40   0.430  -6.831 -11.280
  316    H    GLY  41           H        GLY  41   1.346   1.946 -10.776
  317    HA2  GLY  41           HA2      GLY  41  -0.322   3.984 -11.850
  318    HA3  GLY  41           HA3      GLY  41  -0.561   3.910 -10.094
  319    H    LYS  42           H        LYS  42   0.482   6.173 -11.382
  320    HA   LYS  42           HA       LYS  42   3.372   6.232 -11.182
  321    HB2  LYS  42           HB2      LYS  42   2.268   7.729 -12.699
  322    HB3  LYS  42           HB3      LYS  42   1.184   8.323 -11.423
  323    HG2  LYS  42           HG2      LYS  42   3.044   9.379 -10.257
  324    HG3  LYS  42           HG3      LYS  42   4.206   8.701 -11.423
  325    HD2  LYS  42           HD2      LYS  42   3.275  10.023 -13.223
  326    HD3  LYS  42           HD3      LYS  42   1.895  10.528 -12.223
  327    HE2  LYS  42           HE2      LYS  42   3.389  11.712 -10.692
  328    HE3  LYS  42           HE3      LYS  42   4.799  11.191 -11.631
  329    HZ1  LYS  42           HZ1      LYS  42   4.123  13.415 -12.213
  330    HZ2  LYS  42           HZ2      LYS  42   3.922  12.418 -13.503
  331    HZ3  LYS  42           HZ3      LYS  42   2.617  12.907 -12.628
  332    H    ILE  43           H        ILE  43   4.415   6.055  -9.306
  333    HA   ILE  43           HA       ILE  43   3.052   6.640  -6.787
  334    HB   ILE  43           HB       ILE  43   5.812   5.573  -7.454
  335   HG12  ILE  43          HG12      ILE  43   3.263   4.286  -6.389
  336   HG13  ILE  43          HG11      ILE  43   3.883   4.129  -8.045
  337   HG21  ILE  43          HG21      ILE  43   4.416   5.743  -4.751
  338   HG22  ILE  43          HG22      ILE  43   6.004   5.016  -5.070
  339   HG23  ILE  43          HG23      ILE  43   5.792   6.759  -5.256
  340   HD11  ILE  43          HD11      ILE  43   5.274   3.119  -5.525
  341   HD12  ILE  43          HD12      ILE  43   4.424   2.141  -6.724
  342   HD13  ILE  43          HD13      ILE  43   5.904   3.009  -7.194
  343    H    VAL  44           H        VAL  44   3.222   8.428  -5.609
  344    HA   VAL  44           HA       VAL  44   5.187  10.499  -6.460
  345    HB   VAL  44           HB       VAL  44   3.632  12.133  -5.484
  346   HG11  VAL  44          HG11      VAL  44   2.272  10.241  -7.446
  347   HG12  VAL  44          HG12      VAL  44   1.872  11.951  -7.171
  348   HG13  VAL  44          HG13      VAL  44   3.449  11.513  -7.868
  349   HG21  VAL  44          HG21      VAL  44   2.589  10.659  -3.767
  350   HG22  VAL  44          HG22      VAL  44   1.376  11.459  -4.786
  351   HG23  VAL  44          HG23      VAL  44   1.768   9.751  -5.060
  352    H    GLY  45           H        GLY  45   4.630   8.186  -4.108
  353    HA2  GLY  45           HA2      GLY  45   6.815   9.075  -2.500
  354    HA3  GLY  45           HA3      GLY  45   5.291   9.389  -1.661
  355    H    CYS  46           H        CYS  46   7.503   7.412  -1.123
  356    HA   CYS  46           HA       CYS  46   5.753   5.109  -0.638
  357    HB2  CYS  46           HB2      CYS  46   6.669   4.634  -2.881
  358    HB3  CYS  46           HB3      CYS  46   8.318   4.869  -2.274
  359    HG   CYS  46           HG       CYS  46   6.057   2.743  -1.134
  360    H    SER  47           H        SER  47   6.414   3.902   1.138
  361    HA   SER  47           HA       SER  47   9.099   4.319   2.241
  362    HB2  SER  47           HB2      SER  47   7.755   6.184   3.202
  363    HB3  SER  47           HB3      SER  47   6.621   4.992   3.878
  364    HG   SER  47           HG       SER  47   8.300   5.634   5.341
  365    H    VAL  48           H        VAL  48   9.780   2.613   3.450
  366    HA   VAL  48           HA       VAL  48   7.831   0.390   3.875
  367    HB   VAL  48           HB       VAL  48  10.765   0.236   3.110
  368   HG11  VAL  48          HG11      VAL  48   8.775  -1.972   3.780
  369   HG12  VAL  48          HG12      VAL  48  10.378  -2.215   3.053
  370   HG13  VAL  48          HG13      VAL  48  10.245  -1.551   4.693
  371   HG21  VAL  48          HG21      VAL  48   8.202  -0.632   1.705
  372   HG22  VAL  48          HG22      VAL  48   9.219   0.749   1.243
  373   HG23  VAL  48          HG23      VAL  48   9.849  -0.915   1.116
  374    H    HIS  49           H        HIS  49   7.992  -0.752   5.772
  375    HA   HIS  49           HA       HIS  49   9.686   0.399   7.932
  376    HB2  HIS  49           HB2      HIS  49   6.735  -0.318   8.105
  377    HB3  HIS  49           HB3      HIS  49   7.732   0.368   9.394
  378    HD2  HIS  49           HD2      HIS  49   6.192   1.335   5.957
  379    HE1  HIS  49           HE1      HIS  49   6.992   4.958   8.031
  380    HE2  HIS  49           HE2      HIS  49   5.938   3.942   5.951
  381    H    LYS  50           H        LYS  50   8.852  -1.336   9.974
  382    HA   LYS  50           HA       LYS  50   9.868  -3.893   8.918
  383    HB2  LYS  50           HB2      LYS  50   9.090  -3.069  11.739
  384    HB3  LYS  50           HB3      LYS  50   9.908  -4.572  11.291
  385    HG2  LYS  50           HG2      LYS  50  10.994  -1.743  10.945
  386    HG3  LYS  50           HG3      LYS  50  11.509  -2.914  12.161
  387    HD2  LYS  50           HD2      LYS  50  11.861  -3.179   9.144
  388    HD3  LYS  50           HD3      LYS  50  13.123  -2.817  10.333
  389    HE2  LYS  50           HE2      LYS  50  12.695  -5.009  11.437
  390    HE3  LYS  50           HE3      LYS  50  11.486  -5.387  10.198
  391    HZ1  LYS  50           HZ1      LYS  50  14.343  -4.871   9.699
  392    HZ2  LYS  50           HZ2      LYS  50  13.616  -6.346   9.674
  393    HZ3  LYS  50           HZ3      LYS  50  13.224  -5.213   8.547
  394    H    GLY  51           H        GLY  51   8.596  -5.340   8.081
  395    HA2  GLY  51           HA2      GLY  51   6.917  -6.898   7.979
  396    HA3  GLY  51           HA3      GLY  51   6.188  -6.206   9.432
  397    H    PHE  52           H        PHE  52   6.404  -3.475   7.665
  398    HA   PHE  52           HA       PHE  52   4.188  -4.058   5.811
  399    HB2  PHE  52           HB2      PHE  52   2.734  -2.365   6.691
  400    HB3  PHE  52           HB3      PHE  52   3.072  -3.548   7.946
  401    HD1  PHE  52           HD1      PHE  52   4.550  -2.982   9.851
  402    HD2  PHE  52           HD2      PHE  52   3.407  -0.055   6.916
  403    HE1  PHE  52           HE1      PHE  52   5.243  -1.168  11.393
  404    HE2  PHE  52           HE2      PHE  52   4.091   1.754   8.456
  405    HZ   PHE  52           HZ       PHE  52   5.023   1.203  10.700
  406    H    ALA  53           H        ALA  53   3.634  -2.133   4.456
  407    HA   ALA  53           HA       ALA  53   5.673  -0.003   4.325
  408    HB1  ALA  53           HB1      ALA  53   5.091  -1.908   2.021
  409    HB2  ALA  53           HB2      ALA  53   6.043  -0.413   1.909
  410    HB3  ALA  53           HB3      ALA  53   6.619  -1.756   2.918
  411    H    PHE  54           H        PHE  54   5.060   1.579   2.520
  412    HA   PHE  54           HA       PHE  54   2.136   1.755   2.073
  413    HB2  PHE  54           HB2      PHE  54   3.903   3.661   3.597
  414    HB3  PHE  54           HB3      PHE  54   2.599   4.311   2.606
  415    HD1  PHE  54           HD1      PHE  54   0.241   3.402   2.907
  416    HD2  PHE  54           HD2      PHE  54   3.373   2.905   5.812
  417    HE1  PHE  54           HE1      PHE  54  -1.460   3.045   4.680
  418    HE2  PHE  54           HE2      PHE  54   1.673   2.504   7.572
  419    HZ   PHE  54           HZ       PHE  54  -0.743   2.592   7.005
  420    H    VAL  55           H        VAL  55   1.539   2.908   0.259
  421    HA   VAL  55           HA       VAL  55   3.660   4.097  -1.445
  422    HB   VAL  55           HB       VAL  55   1.587   2.046  -2.336
  423   HG11  VAL  55          HG11      VAL  55   1.815   3.815  -4.030
  424   HG12  VAL  55          HG12      VAL  55   3.590   3.678  -3.955
  425   HG13  VAL  55          HG13      VAL  55   2.607   2.332  -4.580
  426   HG21  VAL  55          HG21      VAL  55   3.595   1.060  -1.288
  427   HG22  VAL  55          HG22      VAL  55   3.579   0.757  -3.041
  428   HG23  VAL  55          HG23      VAL  55   4.627   2.029  -2.363
  429    H    GLN  56           H        GLN  56   3.006   5.916  -2.497
  430    HA   GLN  56           HA       GLN  56   0.167   6.738  -2.106
  431    HB2  GLN  56           HB2      GLN  56   1.882   7.950  -0.717
  432    HB3  GLN  56           HB3      GLN  56   2.696   8.433  -2.212
  433    HG2  GLN  56           HG2      GLN  56   1.357  10.286  -1.534
  434    HG3  GLN  56           HG3      GLN  56   0.534   9.562  -2.923
  435   HE21  GLN  56          HE21      GLN  56  -1.620   9.676  -2.631
  436   HE22  GLN  56          HE22      GLN  56  -2.456   9.337  -1.122
  437    H    TYR  57           H        TYR  57  -0.948   7.300  -3.904
  438    HA   TYR  57           HA       TYR  57   0.540   7.427  -6.492
  439    HB2  TYR  57           HB2      TYR  57  -2.264   6.480  -5.813
  440    HB3  TYR  57           HB3      TYR  57  -1.669   6.738  -7.452
  441    HD1  TYR  57           HD1      TYR  57   0.800   5.614  -7.814
  442    HD2  TYR  57           HD2      TYR  57  -2.305   4.213  -5.181
  443    HE1  TYR  57           HE1      TYR  57   1.745   3.316  -7.922
  444    HE2  TYR  57           HE2      TYR  57  -1.346   1.927  -5.277
  445    HH   TYR  57           HH       TYR  57   1.521   1.164  -7.274
  446    H    VAL  58           H        VAL  58  -0.825   8.601  -8.205
  447    HA   VAL  58           HA       VAL  58  -1.147  11.339  -7.368
  448    HB   VAL  58           HB       VAL  58  -1.734   9.838  -9.951
  449   HG11  VAL  58          HG11      VAL  58  -1.802  12.837  -9.408
  450   HG12  VAL  58          HG12      VAL  58  -1.848  12.077 -11.015
  451   HG13  VAL  58          HG13      VAL  58  -3.181  11.811  -9.880
  452   HG21  VAL  58          HG21      VAL  58   0.648  10.000  -9.309
  453   HG22  VAL  58          HG22      VAL  58   0.296  11.011 -10.725
  454   HG23  VAL  58          HG23      VAL  58   0.477  11.764  -9.124
  455    H    ASN  59           H        ASN  59  -3.386   8.595  -7.882
  456    HA   ASN  59           HA       ASN  59  -5.403  10.138  -6.467
  457    HB2  ASN  59           HB2      ASN  59  -7.003  10.379  -8.070
  458    HB3  ASN  59           HB3      ASN  59  -5.534  10.689  -9.024
  459   HD21  ASN  59          HD21      ASN  59  -4.604   8.340  -9.886
  460   HD22  ASN  59          HD22      ASN  59  -5.841   7.425 -10.707
  461    H    GLU  60           H        GLU  60  -7.424   8.847  -6.098
  462    HA   GLU  60           HA       GLU  60  -6.864   6.378  -4.901
  463    HB2  GLU  60           HB2      GLU  60  -8.749   7.773  -4.300
  464    HB3  GLU  60           HB3      GLU  60  -9.447   7.610  -5.920
  465    HG2  GLU  60           HG2      GLU  60  -9.771   5.185  -5.563
  466    HG3  GLU  60           HG3      GLU  60  -9.025   5.301  -3.966
  467    H    ARG  61           H        ARG  61  -7.868   7.002  -8.303
  468    HA   ARG  61           HA       ARG  61  -8.747   4.364  -8.844
  469    HB2  ARG  61           HB2      ARG  61  -9.186   6.143 -10.414
  470    HB3  ARG  61           HB3      ARG  61  -7.457   6.506 -10.567
  471    HG2  ARG  61           HG2      ARG  61  -8.329   5.290 -12.536
  472    HG3  ARG  61           HG3      ARG  61  -7.017   4.442 -11.709
  473    HD2  ARG  61           HD2      ARG  61  -8.742   2.845 -12.300
  474    HD3  ARG  61           HD3      ARG  61  -8.676   3.011 -10.544
  475    HE   ARG  61           HE       ARG  61 -10.805   3.987 -10.541
  476   HH11  ARG  61          HH11      ARG  61  -9.632   3.677 -13.866
  477   HH12  ARG  61          HH12      ARG  61 -11.182   4.068 -14.570
  478   HH21  ARG  61          HH21      ARG  61 -12.801   4.497 -11.483
  479   HH22  ARG  61          HH22      ARG  61 -12.970   4.532 -13.223
  480    H    ASN  62           H        ASN  62  -5.470   5.790  -8.811
  481    HA   ASN  62           HA       ASN  62  -4.213   3.423  -9.893
  482    HB2  ASN  62           HB2      ASN  62  -3.283   5.904  -8.432
  483    HB3  ASN  62           HB3      ASN  62  -2.156   4.601  -8.880
  484   HD21  ASN  62          HD21      ASN  62  -2.747   3.801 -11.318
  485   HD22  ASN  62          HD22      ASN  62  -2.769   5.115 -12.482
  486    H    ALA  63           H        ALA  63  -5.268   4.410  -6.691
  487    HA   ALA  63           HA       ALA  63  -3.618   2.480  -5.277
  488    HB1  ALA  63           HB1      ALA  63  -5.055   3.054  -3.351
  489    HB2  ALA  63           HB2      ALA  63  -4.487   4.523  -4.175
  490    HB3  ALA  63           HB3      ALA  63  -6.154   3.940  -4.422
  491    H    ARG  64           H        ARG  64  -6.912   2.556  -6.625
  492    HA   ARG  64           HA       ARG  64  -7.706   0.001  -5.528
  493    HB2  ARG  64           HB2      ARG  64  -8.677   1.489  -8.006
  494    HB3  ARG  64           HB3      ARG  64  -9.505   0.123  -7.251
  495    HG2  ARG  64           HG2      ARG  64  -8.990   2.813  -5.916
  496    HG3  ARG  64           HG3      ARG  64 -10.517   2.301  -6.651
  497    HD2  ARG  64           HD2      ARG  64 -10.657   0.422  -5.035
  498    HD3  ARG  64           HD3      ARG  64  -9.147   0.973  -4.280
  499    HE   ARG  64           HE       ARG  64 -10.947   3.168  -4.369
  500   HH11  ARG  64          HH11      ARG  64 -10.639   0.046  -2.737
  501   HH12  ARG  64          HH12      ARG  64 -11.486   0.596  -1.306
  502   HH21  ARG  64          HH21      ARG  64 -12.088   3.818  -2.570
  503   HH22  ARG  64          HH22      ARG  64 -12.343   2.730  -1.219
  504    H    ALA  65           H        ALA  65  -5.783   0.989  -8.312
  505    HA   ALA  65           HA       ALA  65  -6.055  -1.571  -9.679
  506    HB1  ALA  65           HB1      ALA  65  -4.085   0.727 -10.042
  507    HB2  ALA  65           HB2      ALA  65  -4.335  -0.624 -11.170
  508    HB3  ALA  65           HB3      ALA  65  -5.643   0.547 -10.882
  509    H    ALA  66           H        ALA  66  -3.768  -0.126  -7.333
  510    HA   ALA  66           HA       ALA  66  -1.903  -2.353  -7.638
  511    HB1  ALA  66           HB1      ALA  66  -0.682  -1.181  -5.870
  512    HB2  ALA  66           HB2      ALA  66  -1.187  -0.057  -7.161
  513    HB3  ALA  66           HB3      ALA  66  -2.071  -0.099  -5.613
  514    H    VAL  67           H        VAL  67  -4.483  -1.366  -5.339
  515    HA   VAL  67           HA       VAL  67  -4.013  -3.448  -3.431
  516    HB   VAL  67           HB       VAL  67  -6.454  -1.842  -4.240
  517   HG11  VAL  67          HG11      VAL  67  -6.155  -3.777  -1.901
  518   HG12  VAL  67          HG12      VAL  67  -7.480  -2.612  -2.090
  519   HG13  VAL  67          HG13      VAL  67  -7.298  -3.927  -3.261
  520   HG21  VAL  67          HG21      VAL  67  -6.025  -0.650  -2.146
  521   HG22  VAL  67          HG22      VAL  67  -4.712  -1.778  -1.735
  522   HG23  VAL  67          HG23      VAL  67  -4.533  -0.661  -3.104
  523    H    ALA  68           H        ALA  68  -5.672  -3.358  -6.566
  524    HA   ALA  68           HA       ALA  68  -6.603  -6.139  -6.150
  525    HB1  ALA  68           HB1      ALA  68  -7.842  -5.798  -8.230
  526    HB2  ALA  68           HB2      ALA  68  -8.170  -4.484  -7.076
  527    HB3  ALA  68           HB3      ALA  68  -7.070  -4.209  -8.450
  528    H    GLY  69           H        GLY  69  -3.823  -4.579  -7.362
  529    HA2  GLY  69           HA2      GLY  69  -3.319  -6.685  -9.396
  530    HA3  GLY  69           HA3      GLY  69  -2.476  -5.141  -9.232
  531    H    GLU  70           H        GLU  70  -2.479  -5.953  -6.109
  532    HA   GLU  70           HA       GLU  70  -0.054  -7.710  -6.311
  533    HB2  GLU  70           HB2      GLU  70  -0.344  -4.992  -5.009
  534    HB3  GLU  70           HB3      GLU  70   0.924  -6.140  -4.541
  535    HG2  GLU  70           HG2      GLU  70   0.534  -5.276  -7.422
  536    HG3  GLU  70           HG3      GLU  70   1.565  -4.393  -6.289
  537    H    ASP  71           H        ASP  71  -2.984  -6.826  -4.556
  538    HA   ASP  71           HA       ASP  71  -2.250  -7.971  -2.048
  539    HB2  ASP  71           HB2      ASP  71  -4.241  -6.590  -2.324
  540    HB3  ASP  71           HB3      ASP  71  -4.945  -7.784  -3.433
  541    H    GLY  72           H        GLY  72  -1.596 -10.010  -1.647
  542    HA2  GLY  72           HA2      GLY  72  -1.864 -12.331  -1.538
  543    HA3  GLY  72           HA3      GLY  72  -3.091 -12.259  -2.817
  544    H    ARG  73           H        ARG  73  -0.360 -10.389  -3.660
  545    HA   ARG  73           HA       ARG  73   0.664 -12.405  -5.501
  546    HB2  ARG  73           HB2      ARG  73   2.057 -10.720  -6.327
  547    HB3  ARG  73           HB3      ARG  73   0.555  -9.893  -5.909
  548    HG2  ARG  73           HG2      ARG  73   1.881  -8.446  -4.762
  549    HG3  ARG  73           HG3      ARG  73   1.976  -9.719  -3.535
  550    HD2  ARG  73           HD2      ARG  73   4.219  -8.998  -4.088
  551    HD3  ARG  73           HD3      ARG  73   4.011 -10.618  -4.786
  552    HE   ARG  73           HE       ARG  73   3.489  -8.202  -6.439
  553   HH11  ARG  73          HH11      ARG  73   5.497 -11.088  -5.883
  554   HH12  ARG  73          HH12      ARG  73   6.255 -10.970  -7.448
  555   HH21  ARG  73          HH21      ARG  73   4.482  -8.101  -8.427
  556   HH22  ARG  73          HH22      ARG  73   5.703  -9.269  -8.889
  557    H    MET  74           H        MET  74   3.181 -12.810  -5.345
  558    HA   MET  74           HA       MET  74   3.717 -13.436  -2.468
  559    HB2  MET  74           HB2      MET  74   3.167 -15.366  -3.926
  560    HB3  MET  74           HB3      MET  74   4.610 -15.019  -4.900
  561    HG2  MET  74           HG2      MET  74   6.067 -15.442  -3.059
  562    HG3  MET  74           HG3      MET  74   4.750 -15.342  -1.886
  563    HE1  MET  74           HE1      MET  74   2.426 -17.006  -2.917
  564    HE2  MET  74           HE2      MET  74   2.790 -18.611  -2.241
  565    HE3  MET  74           HE3      MET  74   3.096 -17.148  -1.282
  566    H    ILE  75           H        ILE  75   5.346 -12.378  -1.602
  567    HA   ILE  75           HA       ILE  75   7.614 -11.626  -3.363
  568    HB   ILE  75           HB       ILE  75   5.732  -9.891  -1.995
  569   HG12  ILE  75          HG12      ILE  75   8.136  -9.432  -3.804
  570   HG13  ILE  75          HG11      ILE  75   6.481  -9.780  -4.330
  571   HG21  ILE  75          HG21      ILE  75   8.663  -9.492  -1.263
  572   HG22  ILE  75          HG22      ILE  75   7.333  -8.342  -0.959
  573   HG23  ILE  75          HG23      ILE  75   7.342  -9.901  -0.141
  574   HD11  ILE  75          HD11      ILE  75   5.710  -7.656  -3.269
  575   HD12  ILE  75          HD12      ILE  75   7.389  -7.298  -2.803
  576   HD13  ILE  75          HD13      ILE  75   6.933  -7.391  -4.519
  577    H    ALA  76           H        ALA  76   9.611 -11.922  -2.544
  578    HA   ALA  76           HA       ALA  76  11.161 -13.043  -1.357
  579    HB1  ALA  76           HB1      ALA  76   9.673 -11.967   1.058
  580    HB2  ALA  76           HB2      ALA  76  11.373 -12.485   0.986
  581    HB3  ALA  76           HB3      ALA  76  10.841 -11.047   0.077
  582    H    GLY  77           H        GLY  77   8.423 -14.372  -1.895
  583    HA2  GLY  77           HA2      GLY  77   7.921 -16.645  -1.769
  584    HA3  GLY  77           HA3      GLY  77   9.038 -16.820  -0.394
  585    H    GLN  78           H        GLN  78   7.114 -14.094   0.183
  586    HA   GLN  78           HA       GLN  78   5.104 -15.695   1.696
  587    HB2  GLN  78           HB2      GLN  78   6.781 -14.912   3.205
  588    HB3  GLN  78           HB3      GLN  78   6.790 -13.308   2.472
  589    HG2  GLN  78           HG2      GLN  78   4.103 -13.888   3.363
  590    HG3  GLN  78           HG3      GLN  78   5.241 -14.231   4.681
  591   HE21  GLN  78          HE21      GLN  78   5.006 -11.783   2.021
  592   HE22  GLN  78          HE22      GLN  78   5.223 -10.399   3.068
  593    H    VAL  79           H        VAL  79   3.051 -15.179   1.362
  594    HA   VAL  79           HA       VAL  79   2.228 -13.432  -0.741
  595    HB   VAL  79           HB       VAL  79   0.636 -14.634   1.564
  596   HG11  VAL  79          HG11      VAL  79  -0.194 -13.650  -1.195
  597   HG12  VAL  79          HG12      VAL  79  -1.259 -14.488  -0.038
  598   HG13  VAL  79          HG13      VAL  79  -0.609 -12.887   0.361
  599   HG21  VAL  79          HG21      VAL  79   1.851 -16.376   0.319
  600   HG22  VAL  79          HG22      VAL  79   0.120 -16.446  -0.059
  601   HG23  VAL  79          HG23      VAL  79   1.247 -15.707  -1.220
  602    H    LEU  80           H        LEU  80   1.441 -11.378  -0.761
  603    HA   LEU  80           HA       LEU  80   1.782  -9.810   1.731
  604    HB2  LEU  80           HB2      LEU  80   1.168  -8.829  -1.078
  605    HB3  LEU  80           HB3      LEU  80   1.629  -7.860   0.323
  606    HG   LEU  80           HG       LEU  80   3.371  -9.865  -1.161
  607   HD11  LEU  80          HD11      LEU  80   3.490  -6.853  -0.695
  608   HD12  LEU  80          HD12      LEU  80   4.760  -7.809  -1.476
  609   HD13  LEU  80          HD13      LEU  80   3.147  -7.676  -2.235
  610   HD21  LEU  80          HD21      LEU  80   5.147  -9.183   0.424
  611   HD22  LEU  80          HD22      LEU  80   3.938  -8.268   1.371
  612   HD23  LEU  80          HD23      LEU  80   3.832 -10.042   1.251
  613    H    ASP  81           H        ASP  81   0.196  -8.347   2.486
  614    HA   ASP  81           HA       ASP  81  -2.588  -8.896   1.562
  615    HB2  ASP  81           HB2      ASP  81  -1.524  -8.619   4.388
  616    HB3  ASP  81           HB3      ASP  81  -3.231  -8.410   3.973
  617    H    ILE  82           H        ILE  82  -3.003  -7.174   0.360
  618    HA   ILE  82           HA       ILE  82  -1.976  -4.518   1.238
  619    HB   ILE  82           HB       ILE  82  -2.357  -5.756  -1.494
  620   HG12  ILE  82          HG12      ILE  82   0.113  -4.539  -0.207
  621   HG13  ILE  82          HG11      ILE  82  -0.321  -6.226   0.093
  622   HG21  ILE  82          HG21      ILE  82  -1.479  -2.916  -0.798
  623   HG22  ILE  82          HG22      ILE  82  -1.536  -3.630  -2.424
  624   HG23  ILE  82          HG23      ILE  82  -3.039  -3.348  -1.531
  625   HD11  ILE  82          HD11      ILE  82   0.109  -5.077  -2.675
  626   HD12  ILE  82          HD12      ILE  82   1.298  -6.030  -1.741
  627   HD13  ILE  82          HD13      ILE  82  -0.242  -6.774  -2.234
  628    H    ASN  83           H        ASN  83  -3.371  -2.803   1.273
  629    HA   ASN  83           HA       ASN  83  -6.161  -3.078   0.376
  630    HB2  ASN  83           HB2      ASN  83  -5.968  -4.294   2.580
  631    HB3  ASN  83           HB3      ASN  83  -5.471  -2.768   3.321
  632   HD21  ASN  83          HD21      ASN  83  -7.031  -1.084   3.598
  633   HD22  ASN  83          HD22      ASN  83  -8.743  -1.415   3.430
  634    H    LEU  84           H        LEU  84  -7.306  -0.944   0.549
  635    HA   LEU  84           HA       LEU  84  -5.656   1.315   0.194
  636    HB2  LEU  84           HB2      LEU  84  -8.216   0.822  -0.340
  637    HB3  LEU  84           HB3      LEU  84  -8.465   1.496   1.278
  638    HG   LEU  84           HG       LEU  84  -7.004   3.478   0.467
  639   HD11  LEU  84          HD11      LEU  84  -7.738   2.196  -2.211
  640   HD12  LEU  84          HD12      LEU  84  -6.974   3.786  -1.995
  641   HD13  LEU  84          HD13      LEU  84  -6.099   2.309  -1.545
  642   HD21  LEU  84          HD21      LEU  84  -8.942   4.520  -0.716
  643   HD22  LEU  84          HD22      LEU  84  -9.704   2.916  -0.823
  644   HD23  LEU  84          HD23      LEU  84  -9.433   3.667   0.767
  645    H    ALA  85           H        ALA  85  -5.027   2.994   1.620
  646    HA   ALA  85           HA       ALA  85  -4.438   2.119   4.260
  647    HB1  ALA  85           HB1      ALA  85  -4.291   4.909   3.067
  648    HB2  ALA  85           HB2      ALA  85  -3.469   4.341   4.536
  649    HB3  ALA  85           HB3      ALA  85  -3.030   3.650   2.950
  650    H    ALA  86           H        ALA  86  -7.448   3.091   3.213
  651    HA   ALA  86           HA       ALA  86  -8.120   4.136   5.916
  652    HB1  ALA  86           HB1      ALA  86  -9.063   5.269   3.260
  653    HB2  ALA  86           HB2      ALA  86  -9.600   5.803   4.876
  654    HB3  ALA  86           HB3      ALA  86  -7.904   6.009   4.391
  655    H    GLU  87           H        GLU  87  -8.464   1.491   4.234
  656    HA   GLU  87           HA       GLU  87 -11.297   1.134   5.051
  657    HB2  GLU  87           HB2      GLU  87 -10.104   0.241   2.399
  658    HB3  GLU  87           HB3      GLU  87 -11.719  -0.185   3.010
  659    HG2  GLU  87           HG2      GLU  87 -12.318   2.224   3.063
  660    HG3  GLU  87           HG3      GLU  87 -10.729   2.620   2.377
  661    HA   PRO  88           HA       PRO  88  -8.120  -2.281   6.131
  662    HB2  PRO  88           HB2      PRO  88  -8.115  -2.050   8.879
  663    HB3  PRO  88           HB3      PRO  88  -6.970  -1.197   7.801
  664    HG2  PRO  88           HG2      PRO  88  -9.558  -0.133   8.981
  665    HG3  PRO  88           HG3      PRO  88  -7.941   0.650   8.958
  666    HD2  PRO  88           HD2      PRO  88  -9.816   1.285   7.107
  667    HD3  PRO  88           HD3      PRO  88  -8.098   1.094   6.629
  668    H    LYS  89           H        LYS  89  -8.765  -4.337   6.957
  669    HA   LYS  89           HA       LYS  89 -11.614  -4.533   7.742
  670    HB2  LYS  89           HB2      LYS  89 -11.837  -6.332   5.910
  671    HB3  LYS  89           HB3      LYS  89 -11.962  -4.617   5.487
  672    HG2  LYS  89           HG2      LYS  89  -9.645  -4.598   4.643
  673    HG3  LYS  89           HG3      LYS  89  -9.436  -6.284   5.121
  674    HD2  LYS  89           HD2      LYS  89  -9.912  -6.099   2.725
  675    HD3  LYS  89           HD3      LYS  89 -11.207  -6.971   3.558
  676    HE2  LYS  89           HE2      LYS  89 -12.129  -5.389   1.927
  677    HE3  LYS  89           HE3      LYS  89 -12.604  -4.939   3.570
  678    HZ1  LYS  89           HZ1      LYS  89 -11.855  -3.062   2.236
  679    HZ2  LYS  89           HZ2      LYS  89 -10.899  -3.265   3.555
  680    HZ3  LYS  89           HZ3      LYS  89 -10.362  -3.737   2.083
  681    H    VAL  90           H        VAL  90  -9.506  -7.162   6.556
  682    HA   VAL  90           HA       VAL  90  -9.584  -8.317   9.314
  683    HB   VAL  90           HB       VAL  90 -10.575  -9.524   6.711
  684   HG11  VAL  90          HG11      VAL  90 -10.050 -10.906   9.372
  685   HG12  VAL  90          HG12      VAL  90 -10.985 -11.598   8.025
  686   HG13  VAL  90          HG13      VAL  90  -9.262 -11.237   7.808
  687   HG21  VAL  90          HG21      VAL  90 -12.647  -9.883   8.019
  688   HG22  VAL  90          HG22      VAL  90 -11.897  -9.075   9.418
  689   HG23  VAL  90          HG23      VAL  90 -12.221  -8.167   7.918
  690    H    ASN  91           H        ASN  91  -8.035  -8.082   6.142
  691    HA   ASN  91           HA       ASN  91  -6.236 -10.306   6.728
  692    HB2  ASN  91           HB2      ASN  91  -6.567  -8.449   4.361
  693    HB3  ASN  91           HB3      ASN  91  -5.311  -9.700   4.458
  694   HD21  ASN  91          HD21      ASN  91  -8.854  -9.150   4.394
  695   HD22  ASN  91          HD22      ASN  91  -9.255 -10.772   3.877
  696    H    ARG  92           H        ARG  92  -6.230  -7.321   7.989
  697    HA   ARG  92           HA       ARG  92  -3.260  -7.227   7.987
  698    HB2  ARG  92           HB2      ARG  92  -3.270  -4.906   8.236
  699    HB3  ARG  92           HB3      ARG  92  -4.461  -5.244   6.981
  700    HG2  ARG  92           HG2      ARG  92  -5.974  -4.085   8.157
  701    HG3  ARG  92           HG3      ARG  92  -5.869  -5.286   9.464
  702    HD2  ARG  92           HD2      ARG  92  -3.966  -4.034  10.450
  703    HD3  ARG  92           HD3      ARG  92  -4.054  -2.844   9.149
  704    HE   ARG  92           HE       ARG  92  -6.606  -2.847  10.199
  705   HH11  ARG  92          HH11      ARG  92  -3.379  -2.431  11.589
  706   HH12  ARG  92          HH12      ARG  92  -3.922  -1.285  12.793
  707   HH21  ARG  92          HH21      ARG  92  -7.291  -1.394  11.825
  708   HH22  ARG  92          HH22      ARG  92  -6.133  -0.734  12.949
  709    H    GLY  93           H        GLY  93  -5.059  -8.929   9.581
  710    HA2  GLY  93           HA2      GLY  93  -5.350  -7.906  12.227
  711    HA3  GLY  93           HA3      GLY  93  -5.510  -9.602  11.713
  712    H    LYS  94           H        LYS  94  -2.575  -7.830  11.094
  713    HA   LYS  94           HA       LYS  94  -0.458  -8.004  11.759
  714    HB2  LYS  94           HB2      LYS  94  -1.667  -8.536  14.472
  715    HB3  LYS  94           HB3      LYS  94   0.010  -8.053  14.140
  716    HG2  LYS  94           HG2      LYS  94  -0.891  -5.997  12.966
  717    HG3  LYS  94           HG3      LYS  94  -2.516  -6.446  13.538
  718    HD2  LYS  94           HD2      LYS  94  -1.696  -6.365  15.878
  719    HD3  LYS  94           HD3      LYS  94  -0.079  -5.903  15.275
  720    HE2  LYS  94           HE2      LYS  94  -1.068  -3.885  14.222
  721    HE3  LYS  94           HE3      LYS  94  -2.663  -4.334  14.840
  722    HZ1  LYS  94           HZ1      LYS  94  -0.298  -3.718  16.484
  723    HZ2  LYS  94           HZ2      LYS  94  -1.581  -2.724  16.240
  724    HZ3  LYS  94           HZ3      LYS  94  -1.783  -4.132  17.065
  725    H    ALA  95           H        ALA  95  -2.342 -10.835  11.841
  726    HA   ALA  95           HA       ALA  95   0.100 -12.391  11.590
  727    HB1  ALA  95           HB1      ALA  95  -1.871 -12.961  13.855
  728    HB2  ALA  95           HB2      ALA  95  -0.449 -13.948  13.436
  729    HB3  ALA  95           HB3      ALA  95  -0.235 -12.298  14.054
  730    H    GLY  96           H        GLY  96  -0.289 -14.571  10.870
  731    HA2  GLY  96           HA2      GLY  96  -3.036 -15.067   9.798
  732    HA3  GLY  96           HA3      GLY  96  -1.568 -15.363   8.845
  733    H    VAL  97           H        VAL  97  -0.650 -16.094  11.941
  734    HA   VAL  97           HA       VAL  97  -1.078 -18.963  11.479
  735    HB   VAL  97           HB       VAL  97   0.571 -17.534  13.595
  736   HG11  VAL  97          HG11      VAL  97  -0.015 -19.845  14.231
  737   HG12  VAL  97          HG12      VAL  97   0.528 -20.431  12.635
  738   HG13  VAL  97          HG13      VAL  97   1.696 -19.748  13.781
  739   HG21  VAL  97          HG21      VAL  97   2.500 -18.157  12.154
  740   HG22  VAL  97          HG22      VAL  97   1.372 -18.779  10.928
  741   HG23  VAL  97          HG23      VAL  97   1.403 -17.044  11.318
  742    H    LYS  98           H        LYS  98  -2.208 -20.307  12.863
  743    HA   LYS  98           HA       LYS  98  -4.292 -18.995  14.438
  744    HB2  LYS  98           HB2      LYS  98  -3.811 -21.946  13.921
  745    HB3  LYS  98           HB3      LYS  98  -5.306 -21.206  14.500
  746    HG2  LYS  98           HG2      LYS  98  -4.057 -20.817  11.740
  747    HG3  LYS  98           HG3      LYS  98  -5.443 -21.826  12.137
  748    HD2  LYS  98           HD2      LYS  98  -6.459 -19.931  11.296
  749    HD3  LYS  98           HD3      LYS  98  -6.536 -19.648  13.045
  750    HE2  LYS  98           HE2      LYS  98  -4.544 -18.172  12.870
  751    HE3  LYS  98           HE3      LYS  98  -4.432 -18.528  11.140
  752    HZ1  LYS  98           HZ1      LYS  98  -6.700 -17.195  12.466
  753    HZ2  LYS  98           HZ2      LYS  98  -5.549 -16.452  11.557
  754    HZ3  LYS  98           HZ3      LYS  98  -6.586 -17.518  10.857
  755    H    ARG  99           H        ARG  99  -1.364 -19.174  15.382
  756    HA   ARG  99           HA       ARG  99  -2.014 -19.948  18.146
  757    HB2  ARG  99           HB2      ARG  99  -0.962 -21.900  16.672
  758    HB3  ARG  99           HB3      ARG  99   0.541 -21.008  16.919
  759    HG2  ARG  99           HG2      ARG  99   0.375 -22.706  18.619
  760    HG3  ARG  99           HG3      ARG  99   0.122 -21.142  19.415
  761    HD2  ARG  99           HD2      ARG  99  -2.337 -21.514  19.336
  762    HD3  ARG  99           HD3      ARG  99  -2.068 -23.061  18.509
  763    HE   ARG  99           HE       ARG  99  -0.631 -22.848  21.022
  764   HH11  ARG  99          HH11      ARG  99  -3.765 -23.628  19.587
  765   HH12  ARG  99          HH12      ARG  99  -4.262 -24.630  20.930
  766   HH21  ARG  99          HH21      ARG  99  -1.291 -24.165  22.741
  767   HH22  ARG  99          HH22      ARG  99  -2.860 -24.940  22.716
  768    H    SER 100           H        SER 100  -0.042 -19.360  19.597
  769    HA   SER 100           HA       SER 100   0.592 -16.622  19.230
  770    HB2  SER 100           HB2      SER 100   1.798 -18.799  20.977
  771    HB3  SER 100           HB3      SER 100   2.155 -17.072  21.155
  772    HG   SER 100           HG       SER 100   0.445 -17.764  22.524
  773    H    ALA 101           H        ALA 101   2.026 -19.431  17.832
  774    HA   ALA 101           HA       ALA 101   3.979 -19.890  16.802
  775    HB1  ALA 101           HB1      ALA 101   2.995 -18.267  15.247
  776    HB2  ALA 101           HB2      ALA 101   3.853 -16.946  16.074
  777    HB3  ALA 101           HB3      ALA 101   4.768 -18.209  15.219
  778    H    ALA 102           H        ALA 102   4.116 -18.738  19.667
  779    HA   ALA 102           HA       ALA 102   7.050 -18.579  19.736
  780    HB1  ALA 102           HB1      ALA 102   5.259 -16.402  20.883
  781    HB2  ALA 102           HB2      ALA 102   7.028 -16.512  21.074
  782    HB3  ALA 102           HB3      ALA 102   6.320 -16.239  19.466
  783    H    GLU 103           H        GLU 103   4.427 -20.123  20.775
  784    HA   GLU 103           HA       GLU 103   4.658 -19.917  23.638
  785    HB2  GLU 103           HB2      GLU 103   3.057 -21.789  23.638
  786    HB3  GLU 103           HB3      GLU 103   2.548 -20.468  22.572
  787    HG2  GLU 103           HG2      GLU 103   3.277 -21.697  20.603
  788    HG3  GLU 103           HG3      GLU 103   4.021 -22.953  21.600
  789    H    MET 104           H        MET 104   6.748 -21.310  21.460
  790    HA   MET 104           HA       MET 104   7.609 -23.379  23.423
  791    HB2  MET 104           HB2      MET 104   8.218 -24.823  21.550
  792    HB3  MET 104           HB3      MET 104   6.487 -24.426  21.530
  793    HG2  MET 104           HG2      MET 104   6.918 -22.680  19.820
  794    HG3  MET 104           HG3      MET 104   8.644 -23.079  19.861
  795    HE1  MET 104           HE1      MET 104   5.288 -25.806  18.188
  796    HE2  MET 104           HE2      MET 104   5.480 -25.504  19.927
  797    HE3  MET 104           HE3      MET 104   5.042 -24.167  18.836
  798    H    TYR 105           H        TYR 105   8.455 -20.463  22.379
  799    HA   TYR 105           HA       TYR 105  11.369 -21.141  22.353
  800    HB2  TYR 105           HB2      TYR 105  10.040 -18.811  20.944
  801    HB3  TYR 105           HB3      TYR 105  11.745 -19.263  20.872
  802    HD1  TYR 105           HD1      TYR 105  12.044 -21.907  20.150
  803    HD2  TYR 105           HD2      TYR 105   8.797 -19.303  19.088
  804    HE1  TYR 105           HE1      TYR 105  11.570 -23.319  18.163
  805    HE2  TYR 105           HE2      TYR 105   8.301 -20.711  17.107
  806    HH   TYR 105           HH       TYR 105   8.913 -22.559  15.885
  807    H    GLY 106           H        GLY 106   8.834 -19.593  23.987
  808    HA2  GLY 106           HA2      GLY 106   8.782 -18.284  25.868
  809    HA3  GLY 106           HA3      GLY 106  10.517 -18.605  26.062
  810    H5'    U   1           H5'        U   1   2.865  -5.729  12.109
  811   H5''    U   1          H5''        U   1   2.234  -7.057  11.121
  812    H4'    U   1           H4'        U   1   2.793  -4.231  10.085
  813    H3'    U   1           H3'        U   1   0.776  -5.019  11.824
  814    H2'    U   1           H2'        U   1  -0.535  -6.429  10.653
  815   HO2'    U   1          HO2'        U   1  -1.601  -4.347  10.193
  816    H1'    U   1           H1'        U   1   0.112  -5.939   7.947
  817    H3     U   1           H3         U   1   2.602 -10.355   9.111
  818    H5     U   1           H5         U   1  -1.596 -10.178   9.223
  819    H6     U   1           H6         U   1  -1.431  -7.778   9.087
  820    H5'    U   2           H5'        U   2   1.251  -0.876   9.878
  821   H5''    U   2          H5''        U   2   1.221  -0.365  11.587
  822    H4'    U   2           H4'        U   2   1.188   1.603  10.159
  823    H3'    U   2           H3'        U   2  -0.606   1.062  12.238
  824    H2'    U   2           H2'        U   2  -2.389   0.419  10.824
  825   HO2'    U   2          HO2'        U   2  -3.106   2.263  12.046
  826    H1'    U   2           H1'        U   2  -1.568   2.678   8.998
  827    H3     U   2           H3         U   2  -5.011   2.026   6.226
  828    H5     U   2           H5         U   2  -3.959  -1.900   7.297
  829    H6     U   2           H6         U   2  -2.249  -0.993   8.759
  830    H5'    U   3           H5'        U   3   2.848   2.325  10.663
  831   H5''    U   3          H5''        U   3   3.687   3.138  11.993
  832    H4'    U   3           H4'        U   3   4.929   3.547   9.985
  833    H3'    U   3           H3'        U   3   4.053   5.579  11.628
  834    H2'    U   3           H2'        U   3   2.225   6.275  10.312
  835   HO2'    U   3          HO2'        U   3   4.177   7.884  10.193
  836    H1'    U   3           H1'        U   3   3.771   5.820   7.767
  837    H3     U   3           H3         U   3   0.143   6.717   5.277
  838    H5     U   3           H5         U   3  -1.512   4.910   8.704
  839    H6     U   3           H6         U   3   0.733   4.668   9.578
  840    H5'    U   4           H5'        U   4   8.059   5.144   9.814
  841   H5''    U   4          H5''        U   4   9.094   5.847  11.056
  842    H4'    U   4           H4'        U   4  10.280   5.448   8.909
  843    H3'    U   4           H3'        U   4  10.592   7.653  10.513
  844    H2'    U   4           H2'        U   4   9.006   9.021   9.385
  845   HO2'    U   4          HO2'        U   4  11.508   9.377   8.078
  846    H1'    U   4           H1'        U   4   9.998   8.090   6.696
  847    H3     U   4           H3         U   4   7.139  11.446   5.493
  848    H5     U   4           H5         U   4   4.698   8.587   7.358
  849    H6     U   4           H6         U   4   6.693   7.385   8.006
  850    H5'    C   5           H5'        C   5  13.256   6.305  12.468
  851   H5''    C   5          H5''        C   5  11.964   7.452  12.049
  852    H4'    C   5           H4'        C   5  14.779   8.411  12.690
  853    H3'    C   5           H3'        C   5  13.643   6.975  14.610
  854    H2'    C   5           H2'        C   5  11.422   7.720  14.229
  855   HO2'    C   5          HO2'        C   5  10.896   9.094  16.030
  856    H1'    C   5           H1'        C   5  12.233  10.618  14.301
  857    H41    C   5           H41        C   5   7.231  11.175  10.237
  858    H42    C   5           H42        C   5   6.466   9.891  11.161
  859    H5     C   5           H5         C   5   7.563   8.773  13.025
  860    H6     C   5           H6         C   5   9.654   8.489  14.188
  Start of MODEL   19
    1    H1   ALA   2           H1       ALA   2  11.515   8.888  -5.701
    2    H2   ALA   2           H2       ALA   2  11.216   7.463  -4.915
    3    H3   ALA   2           H3       ALA   2  10.566   7.735  -6.414
    4    HA   ALA   2           HA       ALA   2   9.227   9.514  -5.578
    5    HB1  ALA   2           HB1      ALA   2   8.916   6.915  -4.029
    6    HB2  ALA   2           HB2      ALA   2   7.662   8.153  -4.262
    7    HB3  ALA   2           HB3      ALA   2   8.284   7.238  -5.658
    8    H    SER   3           H        SER   3   8.247  10.487  -3.609
    9    HA   SER   3           HA       SER   3  10.266  11.484  -1.838
   10    HB2  SER   3           HB2      SER   3   8.272  12.774  -2.511
   11    HB3  SER   3           HB3      SER   3   7.233  11.620  -1.636
   12    HG   SER   3           HG       SER   3   7.786  13.506  -0.420
   13    H    ASN   4           H        ASN   4  10.288  11.295   0.520
   14    HA   ASN   4           HA       ASN   4   9.867   8.526   1.387
   15    HB2  ASN   4           HB2      ASN   4  11.115   9.239   3.373
   16    HB3  ASN   4           HB3      ASN   4  11.974   9.663   1.883
   17   HD21  ASN   4          HD21      ASN   4  10.204  10.918   4.685
   18   HD22  ASN   4          HD22      ASN   4  10.633  12.597   4.432
   19    H    VAL   5           H        VAL   5   7.804  11.084   1.145
   20    HA   VAL   5           HA       VAL   5   6.598  10.743   3.823
   21    HB   VAL   5           HB       VAL   5   6.106  12.770   1.620
   22   HG11  VAL   5          HG11      VAL   5   4.979  12.620   4.451
   23   HG12  VAL   5          HG12      VAL   5   4.754  13.961   3.311
   24   HG13  VAL   5          HG13      VAL   5   4.050  12.374   2.947
   25   HG21  VAL   5          HG21      VAL   5   8.277  13.033   2.769
   26   HG22  VAL   5          HG22      VAL   5   7.159  14.320   3.259
   27   HG23  VAL   5          HG23      VAL   5   7.470  12.951   4.350
   28    H    THR   6           H        THR   6   4.686   9.819   4.203
   29    HA   THR   6           HA       THR   6   2.861   9.159   1.979
   30    HB   THR   6           HB       THR   6   2.694   6.798   2.697
   31    HG1  THR   6           HG1      THR   6   3.500   6.972   4.789
   32   HG21  THR   6          HG21      THR   6   4.739   5.963   1.718
   33   HG22  THR   6          HG22      THR   6   4.198   7.396   0.826
   34   HG23  THR   6          HG23      THR   6   5.561   7.512   1.985
   35    H    ASN   7           H        ASN   7   3.223  10.554   4.948
   36    HA   ASN   7           HA       ASN   7   0.683   9.412   5.996
   37    HB2  ASN   7           HB2      ASN   7   2.671   9.226   7.426
   38    HB3  ASN   7           HB3      ASN   7   2.835  10.993   7.430
   39   HD21  ASN   7          HD21      ASN   7   2.707  10.031   9.845
   40   HD22  ASN   7          HD22      ASN   7   1.121  10.202  10.565
   41    H    LYS   8           H        LYS   8  -0.859  10.509   4.946
   42    HA   LYS   8           HA       LYS   8  -1.257  13.334   5.740
   43    HB2  LYS   8           HB2      LYS   8  -1.473  12.287   2.890
   44    HB3  LYS   8           HB3      LYS   8  -2.106  13.846   3.452
   45    HG2  LYS   8           HG2      LYS   8   0.195  14.466   4.230
   46    HG3  LYS   8           HG3      LYS   8   0.815  12.981   3.481
   47    HD2  LYS   8           HD2      LYS   8  -0.691  15.190   2.027
   48    HD3  LYS   8           HD3      LYS   8   1.076  14.993   2.039
   49    HE2  LYS   8           HE2      LYS   8   0.838  12.762   0.996
   50    HE3  LYS   8           HE3      LYS   8  -0.923  12.950   0.979
   51    HZ1  LYS   8           HZ1      LYS   8   0.991  14.692  -0.434
   52    HZ2  LYS   8           HZ2      LYS   8   0.053  13.536  -1.133
   53    HZ3  LYS   8           HZ3      LYS   8  -0.643  14.857  -0.456
   54    H    THR   9           H        THR   9  -3.519  13.867   5.913
   55    HA   THR   9           HA       THR   9  -5.249  11.437   5.975
   56    HB   THR   9           HB       THR   9  -6.297  12.392   7.999
   57    HG1  THR   9           HG1      THR   9  -5.232  14.122   9.000
   58   HG21  THR   9          HG21      THR   9  -4.457  11.895   9.535
   59   HG22  THR   9          HG22      THR   9  -4.444  10.748   8.180
   60   HG23  THR   9          HG23      THR   9  -3.271  12.085   8.219
   61    H    ASP  10           H        ASP  10  -4.901  13.917   4.041
   62    HA   ASP  10           HA       ASP  10  -7.404  15.284   4.138
   63    HB2  ASP  10           HB2      ASP  10  -5.575  14.714   1.784
   64    HB3  ASP  10           HB3      ASP  10  -6.860  15.921   1.808
   65    HA   PRO  11           HA       PRO  11 -10.241  12.279   2.848
   66    HB2  PRO  11           HB2      PRO  11 -12.117  13.692   1.433
   67    HB3  PRO  11           HB3      PRO  11 -11.847  13.911   3.193
   68    HG2  PRO  11           HG2      PRO  11 -10.669  15.543   0.921
   69    HG3  PRO  11           HG3      PRO  11 -11.543  16.146   2.373
   70    HD2  PRO  11           HD2      PRO  11  -8.848  16.073   2.314
   71    HD3  PRO  11           HD3      PRO  11  -9.724  15.578   3.798
   72    H    ARG  12           H        ARG  12  -8.106  13.506   0.593
   73    HA   ARG  12           HA       ARG  12  -9.047  11.507  -1.418
   74    HB2  ARG  12           HB2      ARG  12  -9.203  14.231  -1.804
   75    HB3  ARG  12           HB3      ARG  12  -7.601  13.876  -2.470
   76    HG2  ARG  12           HG2      ARG  12 -10.211  12.475  -3.204
   77    HG3  ARG  12           HG3      ARG  12  -9.447  13.763  -4.150
   78    HD2  ARG  12           HD2      ARG  12  -7.436  12.299  -4.453
   79    HD3  ARG  12           HD3      ARG  12  -8.291  11.002  -3.593
   80    HE   ARG  12           HE       ARG  12  -9.708  10.686  -5.430
   81   HH11  ARG  12          HH11      ARG  12  -7.592  13.468  -5.967
   82   HH12  ARG  12          HH12      ARG  12  -7.975  13.576  -7.669
   83   HH21  ARG  12          HH21      ARG  12 -10.193  10.854  -7.649
   84   HH22  ARG  12          HH22      ARG  12  -9.442  12.090  -8.619
   85    H    SER  13           H        SER  13  -6.417  13.121   0.298
   86    HA   SER  13           HA       SER  13  -4.337  11.802  -1.256
   87    HB2  SER  13           HB2      SER  13  -4.148  13.271   1.396
   88    HB3  SER  13           HB3      SER  13  -2.806  12.846   0.314
   89    HG   SER  13           HG       SER  13  -3.570  15.013   0.047
   90    H    MET  14           H        MET  14  -6.260  10.956   1.603
   91    HA   MET  14           HA       MET  14  -4.317   8.813   2.166
   92    HB2  MET  14           HB2      MET  14  -5.314   8.471   4.181
   93    HB3  MET  14           HB3      MET  14  -5.417  10.228   3.982
   94    HG2  MET  14           HG2      MET  14  -7.775  10.049   3.363
   95    HG3  MET  14           HG3      MET  14  -7.679   8.285   3.389
   96    HE1  MET  14           HE1      MET  14  -7.051   7.540   7.223
   97    HE2  MET  14           HE2      MET  14  -6.992   6.887   5.566
   98    HE3  MET  14           HE3      MET  14  -5.722   7.985   6.144
   99    H    ASN  15           H        ASN  15  -6.861   9.266   0.064
  100    HA   ASN  15           HA       ASN  15  -7.586   6.382   0.095
  101    HB2  ASN  15           HB2      ASN  15  -8.824   8.784  -1.284
  102    HB3  ASN  15           HB3      ASN  15  -9.329   7.108  -1.555
  103   HD21  ASN  15          HD21      ASN  15  -9.738   9.870   0.459
  104   HD22  ASN  15          HD22      ASN  15 -10.657   9.091   1.727
  105    H    SER  16           H        SER  16  -5.605   8.724  -1.561
  106    HA   SER  16           HA       SER  16  -5.154   6.914  -3.837
  107    HB2  SER  16           HB2      SER  16  -3.597   8.691  -4.573
  108    HB3  SER  16           HB3      SER  16  -5.233   9.307  -4.243
  109    HG   SER  16           HG       SER  16  -3.629  10.623  -3.314
  110    H    ARG  17           H        ARG  17  -4.330   6.696  -0.710
  111    HA   ARG  17           HA       ARG  17  -1.518   5.834  -1.192
  112    HB2  ARG  17           HB2      ARG  17  -1.963   7.443   0.632
  113    HB3  ARG  17           HB3      ARG  17  -3.027   6.237   1.405
  114    HG2  ARG  17           HG2      ARG  17  -1.222   4.726   1.784
  115    HG3  ARG  17           HG3      ARG  17  -0.148   5.604   0.676
  116    HD2  ARG  17           HD2      ARG  17   0.438   6.021   3.020
  117    HD3  ARG  17           HD3      ARG  17  -0.028   7.494   2.155
  118    HE   ARG  17           HE       ARG  17  -1.677   6.057   4.194
  119   HH11  ARG  17          HH11      ARG  17  -1.106   8.936   2.202
  120   HH12  ARG  17          HH12      ARG  17  -2.212   9.919   3.132
  121   HH21  ARG  17          HH21      ARG  17  -3.023   7.385   5.407
  122   HH22  ARG  17          HH22      ARG  17  -3.274   9.060   4.947
  123    H    VAL  18           H        VAL  18  -0.844   3.763  -0.494
  124    HA   VAL  18           HA       VAL  18  -3.020   1.787  -0.005
  125    HB   VAL  18           HB       VAL  18  -0.632   1.473  -1.861
  126   HG11  VAL  18          HG11      VAL  18  -2.837  -0.456  -1.020
  127   HG12  VAL  18          HG12      VAL  18  -1.687  -0.739  -2.346
  128   HG13  VAL  18          HG13      VAL  18  -1.094  -0.613  -0.678
  129   HG21  VAL  18          HG21      VAL  18  -2.412   2.802  -2.874
  130   HG22  VAL  18          HG22      VAL  18  -2.503   1.148  -3.539
  131   HG23  VAL  18          HG23      VAL  18  -3.644   1.655  -2.286
  132    H    PHE  19           H        PHE  19  -2.716   0.556   1.692
  133    HA   PHE  19           HA       PHE  19  -0.157   0.594   3.156
  134    HB2  PHE  19           HB2      PHE  19  -2.140   0.866   4.492
  135    HB3  PHE  19           HB3      PHE  19  -2.944  -0.474   3.675
  136    HD1  PHE  19           HD1      PHE  19  -0.058   0.304   5.926
  137    HD2  PHE  19           HD2      PHE  19  -2.818  -2.650   4.485
  138    HE1  PHE  19           HE1      PHE  19   0.722  -1.274   7.681
  139    HE2  PHE  19           HE2      PHE  19  -2.017  -4.244   6.222
  140    HZ   PHE  19           HZ       PHE  19  -0.274  -3.543   7.838
  141    H    ILE  20           H        ILE  20   1.219  -1.134   3.309
  142    HA   ILE  20           HA       ILE  20   0.473  -3.643   1.876
  143    HB   ILE  20           HB       ILE  20   3.148  -2.201   1.947
  144   HG12  ILE  20          HG12      ILE  20   1.463  -2.816  -0.506
  145   HG13  ILE  20          HG11      ILE  20   1.278  -1.309   0.392
  146   HG21  ILE  20          HG21      ILE  20   3.428  -4.671   1.965
  147   HG22  ILE  20          HG22      ILE  20   2.357  -4.809   0.561
  148   HG23  ILE  20          HG23      ILE  20   3.929  -4.000   0.409
  149   HD11  ILE  20          HD11      ILE  20   2.832  -0.998  -1.479
  150   HD12  ILE  20          HD12      ILE  20   3.689  -0.812   0.063
  151   HD13  ILE  20          HD13      ILE  20   3.866  -2.311  -0.876
  152    H    GLY  21           H        GLY  21  -0.251  -4.464   3.860
  153    HA2  GLY  21           HA2      GLY  21   1.650  -4.717   6.089
  154    HA3  GLY  21           HA3      GLY  21  -0.011  -5.332   6.032
  155    H    ASN  22           H        ASN  22   1.755  -6.997   7.075
  156    HA   ASN  22           HA       ASN  22   2.819  -8.974   6.940
  157    HB2  ASN  22           HB2      ASN  22   0.474  -9.590   6.371
  158    HB3  ASN  22           HB3      ASN  22   0.911  -9.535   4.661
  159   HD21  ASN  22          HD21      ASN  22   0.110 -11.853   4.908
  160   HD22  ASN  22          HD22      ASN  22   1.347 -13.056   5.250
  161    H    LEU  23           H        LEU  23   4.368  -7.072   5.831
  162    HA   LEU  23           HA       LEU  23   5.387  -8.167   3.270
  163    HB2  LEU  23           HB2      LEU  23   4.810  -5.773   3.385
  164    HB3  LEU  23           HB3      LEU  23   5.916  -5.559   4.741
  165    HG   LEU  23           HG       LEU  23   7.825  -6.169   3.277
  166   HD11  LEU  23          HD11      LEU  23   6.707  -7.616   1.638
  167   HD12  LEU  23          HD12      LEU  23   5.714  -6.253   1.085
  168   HD13  LEU  23          HD13      LEU  23   7.472  -6.246   0.814
  169   HD21  LEU  23          HD21      LEU  23   7.798  -4.095   1.971
  170   HD22  LEU  23          HD22      LEU  23   6.031  -3.993   2.130
  171   HD23  LEU  23          HD23      LEU  23   7.065  -3.818   3.565
  172    H    ASN  24           H        ASN  24   7.584  -8.871   3.090
  173    HA   ASN  24           HA       ASN  24   8.586 -10.079   5.497
  174    HB2  ASN  24           HB2      ASN  24   8.817 -10.977   3.130
  175    HB3  ASN  24           HB3      ASN  24   9.984  -9.697   2.818
  176   HD21  ASN  24          HD21      ASN  24  11.884 -10.852   2.621
  177   HD22  ASN  24          HD22      ASN  24  12.534 -11.882   3.883
  178    H    THR  25           H        THR  25   9.447  -7.215   3.629
  179    HA   THR  25           HA       THR  25  10.885  -5.534   3.878
  180    HB   THR  25           HB       THR  25  10.899  -4.383   5.987
  181    HG1  THR  25           HG1      THR  25  11.123  -6.212   7.366
  182   HG21  THR  25          HG21      THR  25   8.230  -5.743   5.428
  183   HG22  THR  25          HG22      THR  25   8.454  -4.198   6.270
  184   HG23  THR  25          HG23      THR  25   8.896  -4.333   4.554
  185    H    LEU  26           H        LEU  26  12.040  -8.420   4.502
  186    HA   LEU  26           HA       LEU  26  14.673  -7.452   5.498
  187    HB2  LEU  26           HB2      LEU  26  13.171 -10.024   5.551
  188    HB3  LEU  26           HB3      LEU  26  14.900 -10.169   5.247
  189    HG   LEU  26           HG       LEU  26  14.350 -10.387   7.639
  190   HD11  LEU  26          HD11      LEU  26  16.053  -8.871   8.492
  191   HD12  LEU  26          HD12      LEU  26  16.562  -9.531   6.924
  192   HD13  LEU  26          HD13      LEU  26  15.946  -7.864   7.038
  193   HD21  LEU  26          HD21      LEU  26  13.519  -7.462   7.485
  194   HD22  LEU  26          HD22      LEU  26  12.429  -8.850   7.752
  195   HD23  LEU  26          HD23      LEU  26  13.672  -8.446   8.956
  196    H    VAL  27           H        VAL  27  12.987  -8.262   2.632
  197    HA   VAL  27           HA       VAL  27  15.578  -8.352   1.141
  198    HB   VAL  27           HB       VAL  27  13.048  -9.933   0.542
  199   HG11  VAL  27          HG11      VAL  27  15.740  -9.829  -0.879
  200   HG12  VAL  27          HG12      VAL  27  14.454 -11.007  -1.213
  201   HG13  VAL  27          HG13      VAL  27  14.176  -9.285  -1.537
  202   HG21  VAL  27          HG21      VAL  27  14.341 -10.875   2.432
  203   HG22  VAL  27          HG22      VAL  27  14.488 -11.900   0.990
  204   HG23  VAL  27          HG23      VAL  27  15.822 -10.820   1.450
  205    H    VAL  28           H        VAL  28  12.375  -7.014   1.535
  206    HA   VAL  28           HA       VAL  28  12.707  -5.479  -1.002
  207    HB   VAL  28           HB       VAL  28  10.236  -5.919   0.708
  208   HG11  VAL  28          HG11      VAL  28   9.049  -4.870  -1.201
  209   HG12  VAL  28          HG12      VAL  28  10.162  -3.734  -0.418
  210   HG13  VAL  28          HG13      VAL  28  10.611  -4.502  -1.963
  211   HG21  VAL  28          HG21      VAL  28   9.476  -7.198  -1.305
  212   HG22  VAL  28          HG22      VAL  28  11.090  -6.999  -2.019
  213   HG23  VAL  28          HG23      VAL  28  10.892  -7.944  -0.528
  214    H    LYS  29           H        LYS  29  12.698  -3.266  -1.000
  215    HA   LYS  29           HA       LYS  29  12.706  -1.831   1.613
  216    HB2  LYS  29           HB2      LYS  29  14.836  -1.569  -0.550
  217    HB3  LYS  29           HB3      LYS  29  14.681  -0.587   0.908
  218    HG2  LYS  29           HG2      LYS  29  16.271  -2.040   1.622
  219    HG3  LYS  29           HG3      LYS  29  14.828  -2.915   2.158
  220    HD2  LYS  29           HD2      LYS  29  14.944  -4.286   0.041
  221    HD3  LYS  29           HD3      LYS  29  16.419  -3.411  -0.408
  222    HE2  LYS  29           HE2      LYS  29  16.053  -5.063   2.124
  223    HE3  LYS  29           HE3      LYS  29  16.865  -5.626   0.656
  224    HZ1  LYS  29           HZ1      LYS  29  17.720  -3.338   2.301
  225    HZ2  LYS  29           HZ2      LYS  29  18.428  -4.817   2.270
  226    HZ3  LYS  29           HZ3      LYS  29  18.472  -3.862   0.934
  227    H    LYS  30           H        LYS  30  12.824   0.590   1.151
  228    HA   LYS  30           HA       LYS  30  10.555   1.337  -0.403
  229    HB2  LYS  30           HB2      LYS  30  11.234   3.631   0.242
  230    HB3  LYS  30           HB3      LYS  30  11.223   2.484   1.596
  231    HG2  LYS  30           HG2      LYS  30  13.808   2.191   0.894
  232    HG3  LYS  30           HG3      LYS  30  13.558   3.821   0.246
  233    HD2  LYS  30           HD2      LYS  30  12.926   2.866   3.071
  234    HD3  LYS  30           HD3      LYS  30  14.359   3.810   2.614
  235    HE2  LYS  30           HE2      LYS  30  12.856   5.643   1.803
  236    HE3  LYS  30           HE3      LYS  30  11.453   4.718   2.363
  237    HZ1  LYS  30           HZ1      LYS  30  12.122   6.337   3.977
  238    HZ2  LYS  30           HZ2      LYS  30  12.367   4.834   4.593
  239    HZ3  LYS  30           HZ3      LYS  30  13.641   5.717   4.058
  240    H    SER  31           H        SER  31  13.699   0.606  -1.420
  241    HA   SER  31           HA       SER  31  13.534   2.342  -3.817
  242    HB2  SER  31           HB2      SER  31  15.722   0.459  -2.864
  243    HB3  SER  31           HB3      SER  31  15.825   1.578  -4.241
  244    HG   SER  31           HG       SER  31  16.739   2.463  -2.335
  245    H    ASP  32           H        ASP  32  12.296  -0.583  -2.837
  246    HA   ASP  32           HA       ASP  32  12.465  -1.798  -5.555
  247    HB2  ASP  32           HB2      ASP  32  12.114  -2.956  -2.761
  248    HB3  ASP  32           HB3      ASP  32  11.857  -3.890  -4.227
  249    H    VAL  33           H        VAL  33  10.372  -0.853  -2.805
  250    HA   VAL  33           HA       VAL  33   7.918  -1.846  -3.869
  251    HB   VAL  33           HB       VAL  33   8.560   0.491  -2.024
  252   HG11  VAL  33          HG11      VAL  33   5.897  -0.893  -2.563
  253   HG12  VAL  33          HG12      VAL  33   6.202   0.320  -1.304
  254   HG13  VAL  33          HG13      VAL  33   6.314   0.777  -3.019
  255   HG21  VAL  33          HG21      VAL  33   7.580  -2.347  -1.483
  256   HG22  VAL  33          HG22      VAL  33   9.228  -1.744  -1.172
  257   HG23  VAL  33          HG23      VAL  33   7.854  -1.093  -0.260
  258    H    GLU  34           H        GLU  34   9.824   1.085  -4.511
  259    HA   GLU  34           HA       GLU  34   7.698   2.292  -6.097
  260    HB2  GLU  34           HB2      GLU  34   9.294   4.049  -6.563
  261    HB3  GLU  34           HB3      GLU  34   9.242   3.687  -4.827
  262    HG2  GLU  34           HG2      GLU  34  11.312   2.341  -5.041
  263    HG3  GLU  34           HG3      GLU  34  11.338   2.647  -6.786
  264    H    ALA  35           H        ALA  35   9.372  -0.395  -6.714
  265    HA   ALA  35           HA       ALA  35   9.464   0.164  -9.641
  266    HB1  ALA  35           HB1      ALA  35  11.301  -1.643  -8.018
  267    HB2  ALA  35           HB2      ALA  35  11.337  -1.421  -9.783
  268    HB3  ALA  35           HB3      ALA  35  11.743  -0.065  -8.706
  269    H    ILE  36           H        ILE  36   7.999  -1.548  -7.114
  270    HA   ILE  36           HA       ILE  36   7.136  -3.739  -8.957
  271    HB   ILE  36           HB       ILE  36   7.137  -3.535  -5.927
  272   HG12  ILE  36          HG12      ILE  36   8.729  -5.434  -7.698
  273   HG13  ILE  36          HG11      ILE  36   9.366  -3.865  -7.182
  274   HG21  ILE  36          HG21      ILE  36   5.221  -4.861  -6.720
  275   HG22  ILE  36          HG22      ILE  36   6.286  -5.817  -7.769
  276   HG23  ILE  36          HG23      ILE  36   6.427  -5.929  -5.997
  277   HD11  ILE  36          HD11      ILE  36  10.156  -5.570  -5.655
  278   HD12  ILE  36          HD12      ILE  36   9.018  -4.502  -4.808
  279   HD13  ILE  36          HD13      ILE  36   8.499  -6.126  -5.346
  280    H    PHE  37           H        PHE  37   6.068  -1.014  -6.964
  281    HA   PHE  37           HA       PHE  37   3.240  -1.670  -7.577
  282    HB2  PHE  37           HB2      PHE  37   4.566   0.177  -5.576
  283    HB3  PHE  37           HB3      PHE  37   2.841   0.204  -5.901
  284    HD1  PHE  37           HD1      PHE  37   5.611  -1.950  -4.674
  285    HD2  PHE  37           HD2      PHE  37   1.360  -1.389  -4.954
  286    HE1  PHE  37           HE1      PHE  37   5.258  -3.842  -3.100
  287    HE2  PHE  37           HE2      PHE  37   1.002  -3.257  -3.361
  288    HZ   PHE  37           HZ       PHE  37   2.952  -4.484  -2.433
  289    H    SER  38           H        SER  38   5.815   0.145  -8.830
  290    HA   SER  38           HA       SER  38   4.390   2.536  -9.579
  291    HB2  SER  38           HB2      SER  38   6.367   2.880 -11.041
  292    HB3  SER  38           HB3      SER  38   6.807   2.487  -9.357
  293    HG   SER  38           HG       SER  38   7.998   1.291 -10.935
  294    H    LYS  39           H        LYS  39   4.346  -0.687 -10.751
  295    HA   LYS  39           HA       LYS  39   3.653   0.000 -13.504
  296    HB2  LYS  39           HB2      LYS  39   3.498  -2.409 -13.799
  297    HB3  LYS  39           HB3      LYS  39   4.966  -1.994 -12.893
  298    HG2  LYS  39           HG2      LYS  39   3.535  -2.386 -10.762
  299    HG3  LYS  39           HG3      LYS  39   2.386  -3.197 -11.849
  300    HD2  LYS  39           HD2      LYS  39   5.335  -3.865 -11.518
  301    HD3  LYS  39           HD3      LYS  39   3.992  -4.775 -10.790
  302    HE2  LYS  39           HE2      LYS  39   3.103  -5.268 -13.056
  303    HE3  LYS  39           HE3      LYS  39   4.464  -4.389 -13.778
  304    HZ1  LYS  39           HZ1      LYS  39   4.697  -6.787 -12.084
  305    HZ2  LYS  39           HZ2      LYS  39   4.862  -6.753 -13.720
  306    HZ3  LYS  39           HZ3      LYS  39   5.949  -5.971 -12.764
  307    H    TYR  40           H        TYR  40   1.935  -0.094 -10.539
  308    HA   TYR  40           HA       TYR  40  -0.643  -0.538 -11.971
  309    HB2  TYR  40           HB2      TYR  40  -0.048  -0.513  -8.995
  310    HB3  TYR  40           HB3      TYR  40  -1.594  -0.890  -9.758
  311    HD1  TYR  40           HD1      TYR  40  -1.697  -2.897 -11.370
  312    HD2  TYR  40           HD2      TYR  40   1.560  -2.206  -8.656
  313    HE1  TYR  40           HE1      TYR  40  -0.976  -5.253 -11.651
  314    HE2  TYR  40           HE2      TYR  40   2.300  -4.558  -8.935
  315    HH   TYR  40           HH       TYR  40   0.566  -6.850 -11.081
  316    H    GLY  41           H        GLY  41   1.377   1.906 -10.587
  317    HA2  GLY  41           HA2      GLY  41  -0.315   3.949 -11.625
  318    HA3  GLY  41           HA3      GLY  41  -0.507   3.881  -9.869
  319    H    LYS  42           H        LYS  42   0.507   6.132 -11.222
  320    HA   LYS  42           HA       LYS  42   3.392   6.206 -11.084
  321    HB2  LYS  42           HB2      LYS  42   2.229   7.690 -12.577
  322    HB3  LYS  42           HB3      LYS  42   1.186   8.291 -11.275
  323    HG2  LYS  42           HG2      LYS  42   3.086   9.361 -10.172
  324    HG3  LYS  42           HG3      LYS  42   4.201   8.712 -11.397
  325    HD2  LYS  42           HD2      LYS  42   3.164  10.026 -13.137
  326    HD3  LYS  42           HD3      LYS  42   1.815  10.482 -12.070
  327    HE2  LYS  42           HE2      LYS  42   3.347  11.689 -10.595
  328    HE3  LYS  42           HE3      LYS  42   4.732  11.212 -11.600
  329    HZ1  LYS  42           HZ1      LYS  42   3.972  13.427 -12.120
  330    HZ2  LYS  42           HZ2      LYS  42   3.761  12.436 -13.416
  331    HZ3  LYS  42           HZ3      LYS  42   2.471  12.877 -12.499
  332    H    ILE  43           H        ILE  43   4.487   6.066  -9.227
  333    HA   ILE  43           HA       ILE  43   3.161   6.654  -6.691
  334    HB   ILE  43           HB       ILE  43   5.921   5.597  -7.395
  335   HG12  ILE  43          HG12      ILE  43   3.404   4.287  -6.280
  336   HG13  ILE  43          HG11      ILE  43   3.978   4.148  -7.955
  337   HG21  ILE  43          HG21      ILE  43   4.542   5.770  -4.676
  338   HG22  ILE  43          HG22      ILE  43   6.140   5.051  -5.008
  339   HG23  ILE  43          HG23      ILE  43   5.905   6.790  -5.193
  340   HD11  ILE  43          HD11      ILE  43   5.451   3.137  -5.484
  341   HD12  ILE  43          HD12      ILE  43   4.579   2.162  -6.670
  342   HD13  ILE  43          HD13      ILE  43   6.038   3.056  -7.169
  343    H    VAL  44           H        VAL  44   3.309   8.472  -5.566
  344    HA   VAL  44           HA       VAL  44   5.273  10.533  -6.444
  345    HB   VAL  44           HB       VAL  44   3.711  12.172  -5.483
  346   HG11  VAL  44          HG11      VAL  44   2.365  10.259  -7.430
  347   HG12  VAL  44          HG12      VAL  44   1.959  11.970  -7.172
  348   HG13  VAL  44          HG13      VAL  44   3.541  11.529  -7.860
  349   HG21  VAL  44          HG21      VAL  44   1.856   9.787  -5.046
  350   HG22  VAL  44          HG22      VAL  44   2.657  10.721  -3.756
  351   HG23  VAL  44          HG23      VAL  44   1.444  11.493  -4.805
  352    H    GLY  45           H        GLY  45   4.612   8.290  -3.999
  353    HA2  GLY  45           HA2      GLY  45   6.786   9.255  -2.376
  354    HA3  GLY  45           HA3      GLY  45   5.218   9.501  -1.580
  355    H    CYS  46           H        CYS  46   7.464   7.640  -0.892
  356    HA   CYS  46           HA       CYS  46   5.797   5.260  -0.527
  357    HB2  CYS  46           HB2      CYS  46   7.400   3.720  -1.472
  358    HB3  CYS  46           HB3      CYS  46   7.004   4.931  -2.715
  359    HG   CYS  46           HG       CYS  46   9.561   4.315  -2.816
  360    H    SER  47           H        SER  47   6.536   3.938   1.215
  361    HA   SER  47           HA       SER  47   9.044   4.604   2.548
  362    HB2  SER  47           HB2      SER  47   7.498   6.368   3.403
  363    HB3  SER  47           HB3      SER  47   6.397   5.095   3.977
  364    HG   SER  47           HG       SER  47   7.895   5.861   5.581
  365    H    VAL  48           H        VAL  48   9.817   2.836   3.561
  366    HA   VAL  48           HA       VAL  48   7.932   0.567   4.005
  367    HB   VAL  48           HB       VAL  48  10.910   0.539   3.417
  368   HG11  VAL  48          HG11      VAL  48   8.952  -1.737   3.952
  369   HG12  VAL  48          HG12      VAL  48  10.592  -1.942   3.300
  370   HG13  VAL  48          HG13      VAL  48  10.373  -1.299   4.936
  371   HG21  VAL  48          HG21      VAL  48   9.498   1.008   1.450
  372   HG22  VAL  48          HG22      VAL  48  10.141  -0.649   1.357
  373   HG23  VAL  48          HG23      VAL  48   8.460  -0.381   1.848
  374    H    HIS  49           H        HIS  49   8.115  -0.614   5.914
  375    HA   HIS  49           HA       HIS  49   9.675   0.605   8.127
  376    HB2  HIS  49           HB2      HIS  49   6.750  -0.215   8.231
  377    HB3  HIS  49           HB3      HIS  49   7.700   0.468   9.553
  378    HD2  HIS  49           HD2      HIS  49   6.181   1.480   6.121
  379    HE1  HIS  49           HE1      HIS  49   6.879   5.068   8.291
  380    HE2  HIS  49           HE2      HIS  49   5.867   4.075   6.171
  381    H    LYS  50           H        LYS  50   8.885  -1.174  10.142
  382    HA   LYS  50           HA       LYS  50   9.949  -3.710   9.075
  383    HB2  LYS  50           HB2      LYS  50   9.173  -2.894  11.909
  384    HB3  LYS  50           HB3      LYS  50   9.980  -4.399  11.454
  385    HG2  LYS  50           HG2      LYS  50  11.114  -1.595  11.071
  386    HG3  LYS  50           HG3      LYS  50  11.578  -2.750  12.334
  387    HD2  LYS  50           HD2      LYS  50  12.330  -4.349  10.572
  388    HD3  LYS  50           HD3      LYS  50  11.951  -3.128   9.332
  389    HE2  LYS  50           HE2      LYS  50  13.525  -1.552  10.392
  390    HE3  LYS  50           HE3      LYS  50  13.908  -2.759  11.630
  391    HZ1  LYS  50           HZ1      LYS  50  14.739  -4.190   9.899
  392    HZ2  LYS  50           HZ2      LYS  50  14.381  -3.082   8.741
  393    HZ3  LYS  50           HZ3      LYS  50  15.530  -2.749   9.865
  394    H    GLY  51           H        GLY  51   8.716  -5.202   8.264
  395    HA2  GLY  51           HA2      GLY  51   7.036  -6.754   8.128
  396    HA3  GLY  51           HA3      GLY  51   6.283  -6.060   9.573
  397    H    PHE  52           H        PHE  52   6.481  -3.322   7.855
  398    HA   PHE  52           HA       PHE  52   4.305  -3.929   5.954
  399    HB2  PHE  52           HB2      PHE  52   2.830  -2.244   6.810
  400    HB3  PHE  52           HB3      PHE  52   3.157  -3.441   8.053
  401    HD1  PHE  52           HD1      PHE  52   4.591  -2.879  10.003
  402    HD2  PHE  52           HD2      PHE  52   3.479   0.067   7.073
  403    HE1  PHE  52           HE1      PHE  52   5.225  -1.075  11.576
  404    HE2  PHE  52           HE2      PHE  52   4.121   1.867   8.639
  405    HZ   PHE  52           HZ       PHE  52   4.994   1.305  10.899
  406    H    ALA  53           H        ALA  53   3.754  -2.014   4.584
  407    HA   ALA  53           HA       ALA  53   5.764   0.141   4.478
  408    HB1  ALA  53           HB1      ALA  53   5.231  -1.772   2.168
  409    HB2  ALA  53           HB2      ALA  53   6.174  -0.270   2.063
  410    HB3  ALA  53           HB3      ALA  53   6.750  -1.602   3.084
  411    H    PHE  54           H        PHE  54   5.153   1.685   2.641
  412    HA   PHE  54           HA       PHE  54   2.231   1.852   2.169
  413    HB2  PHE  54           HB2      PHE  54   3.960   3.765   3.735
  414    HB3  PHE  54           HB3      PHE  54   2.678   4.412   2.721
  415    HD1  PHE  54           HD1      PHE  54   0.322   3.506   2.978
  416    HD2  PHE  54           HD2      PHE  54   3.400   2.953   5.929
  417    HE1  PHE  54           HE1      PHE  54  -1.412   3.098   4.708
  418    HE2  PHE  54           HE2      PHE  54   1.665   2.515   7.650
  419    HZ   PHE  54           HZ       PHE  54  -0.734   2.610   7.046
  420    H    VAL  55           H        VAL  55   1.656   2.944   0.331
  421    HA   VAL  55           HA       VAL  55   3.786   4.165  -1.345
  422    HB   VAL  55           HB       VAL  55   1.776   2.055  -2.242
  423   HG11  VAL  55          HG11      VAL  55   3.766   3.720  -3.843
  424   HG12  VAL  55          HG12      VAL  55   2.845   2.335  -4.471
  425   HG13  VAL  55          HG13      VAL  55   1.988   3.798  -3.963
  426   HG21  VAL  55          HG21      VAL  55   3.817   0.819  -2.894
  427   HG22  VAL  55          HG22      VAL  55   4.814   2.132  -2.212
  428   HG23  VAL  55          HG23      VAL  55   3.785   1.141  -1.144
  429    H    GLN  56           H        GLN  56   3.124   5.956  -2.430
  430    HA   GLN  56           HA       GLN  56   0.282   6.764  -2.037
  431    HB2  GLN  56           HB2      GLN  56   2.030   7.970  -0.666
  432    HB3  GLN  56           HB3      GLN  56   2.802   8.472  -2.177
  433    HG2  GLN  56           HG2      GLN  56   1.500  10.320  -1.512
  434    HG3  GLN  56           HG3      GLN  56   0.572   9.559  -2.807
  435   HE21  GLN  56          HE21      GLN  56  -1.577   9.494  -2.368
  436   HE22  GLN  56          HE22      GLN  56  -2.277   9.341  -0.777
  437    H    TYR  57           H        TYR  57  -0.855   7.250  -3.835
  438    HA   TYR  57           HA       TYR  57   0.612   7.430  -6.422
  439    HB2  TYR  57           HB2      TYR  57  -2.215   6.516  -5.785
  440    HB3  TYR  57           HB3      TYR  57  -1.545   6.717  -7.404
  441    HD1  TYR  57           HD1      TYR  57   0.933   5.535  -7.600
  442    HD2  TYR  57           HD2      TYR  57  -2.359   4.259  -5.124
  443    HE1  TYR  57           HE1      TYR  57   1.851   3.230  -7.560
  444    HE2  TYR  57           HE2      TYR  57  -1.422   1.977  -5.066
  445    HH   TYR  57           HH       TYR  57   0.277   0.603  -5.720
  446    H    VAL  58           H        VAL  58  -0.878   8.601  -8.104
  447    HA   VAL  58           HA       VAL  58  -1.164  11.326  -7.204
  448    HB   VAL  58           HB       VAL  58  -1.806   9.887  -9.804
  449   HG11  VAL  58          HG11      VAL  58  -1.881  12.868  -9.175
  450   HG12  VAL  58          HG12      VAL  58  -1.961  12.162 -10.805
  451   HG13  VAL  58          HG13      VAL  58  -3.267  11.852  -9.650
  452   HG21  VAL  58          HG21      VAL  58   0.194  11.100 -10.600
  453   HG22  VAL  58          HG22      VAL  58   0.418  11.799  -8.982
  454   HG23  VAL  58          HG23      VAL  58   0.587  10.042  -9.226
  455    H    ASN  59           H        ASN  59  -3.396   8.575  -7.698
  456    HA   ASN  59           HA       ASN  59  -5.427  10.095  -6.275
  457    HB2  ASN  59           HB2      ASN  59  -7.017  10.333  -7.888
  458    HB3  ASN  59           HB3      ASN  59  -5.548  10.667  -8.825
  459   HD21  ASN  59          HD21      ASN  59  -4.589   8.334  -9.703
  460   HD22  ASN  59          HD22      ASN  59  -5.805   7.410 -10.544
  461    H    GLU  60           H        GLU  60  -7.491   8.770  -6.012
  462    HA   GLU  60           HA       GLU  60  -6.858   6.324  -4.774
  463    HB2  GLU  60           HB2      GLU  60  -8.757   7.733  -4.181
  464    HB3  GLU  60           HB3      GLU  60  -9.483   7.471  -5.780
  465    HG2  GLU  60           HG2      GLU  60  -9.710   5.050  -5.294
  466    HG3  GLU  60           HG3      GLU  60  -8.966   5.294  -3.710
  467    H    ARG  61           H        ARG  61  -7.869   6.950  -8.152
  468    HA   ARG  61           HA       ARG  61  -8.726   4.307  -8.740
  469    HB2  ARG  61           HB2      ARG  61  -9.160   6.093 -10.294
  470    HB3  ARG  61           HB3      ARG  61  -7.435   6.478 -10.427
  471    HG2  ARG  61           HG2      ARG  61  -8.279   5.273 -12.417
  472    HG3  ARG  61           HG3      ARG  61  -6.955   4.444 -11.587
  473    HD2  ARG  61           HD2      ARG  61  -8.654   2.828 -12.226
  474    HD3  ARG  61           HD3      ARG  61  -8.596   2.967 -10.461
  475    HE   ARG  61           HE       ARG  61 -10.562   4.767 -11.545
  476   HH11  ARG  61          HH11      ARG  61  -9.987   1.348 -10.869
  477   HH12  ARG  61          HH12      ARG  61 -11.686   0.975 -10.681
  478   HH21  ARG  61          HH21      ARG  61 -12.779   4.252 -11.296
  479   HH22  ARG  61          HH22      ARG  61 -13.257   2.610 -10.927
  480    H    ASN  62           H        ASN  62  -5.463   5.768  -8.652
  481    HA   ASN  62           HA       ASN  62  -4.169   3.412  -9.716
  482    HB2  ASN  62           HB2      ASN  62  -3.268   5.887  -8.224
  483    HB3  ASN  62           HB3      ASN  62  -2.133   4.589  -8.672
  484   HD21  ASN  62          HD21      ASN  62  -2.704   3.811 -11.120
  485   HD22  ASN  62          HD22      ASN  62  -2.712   5.130 -12.272
  486    H    ALA  63           H        ALA  63  -5.301   4.359  -6.529
  487    HA   ALA  63           HA       ALA  63  -3.643   2.439  -5.107
  488    HB1  ALA  63           HB1      ALA  63  -5.097   2.996  -3.198
  489    HB2  ALA  63           HB2      ALA  63  -4.527   4.466  -4.017
  490    HB3  ALA  63           HB3      ALA  63  -6.190   3.887  -4.273
  491    H    ARG  64           H        ARG  64  -6.930   2.488  -6.487
  492    HA   ARG  64           HA       ARG  64  -7.721  -0.079  -5.411
  493    HB2  ARG  64           HB2      ARG  64  -8.665   1.401  -7.902
  494    HB3  ARG  64           HB3      ARG  64  -9.486   0.027  -7.152
  495    HG2  ARG  64           HG2      ARG  64  -9.026   2.738  -5.840
  496    HG3  ARG  64           HG3      ARG  64 -10.541   2.183  -6.574
  497    HD2  ARG  64           HD2      ARG  64 -10.636   0.330  -4.922
  498    HD3  ARG  64           HD3      ARG  64  -9.150   0.948  -4.164
  499    HE   ARG  64           HE       ARG  64 -11.035   3.072  -4.340
  500   HH11  ARG  64          HH11      ARG  64 -10.579   0.033  -2.548
  501   HH12  ARG  64          HH12      ARG  64 -11.471   0.636  -1.164
  502   HH21  ARG  64          HH21      ARG  64 -12.188   3.751  -2.544
  503   HH22  ARG  64          HH22      ARG  64 -12.381   2.677  -1.159
  504    H    ALA  65           H        ALA  65  -5.770   0.931  -8.185
  505    HA   ALA  65           HA       ALA  65  -5.993  -1.635  -9.536
  506    HB1  ALA  65           HB1      ALA  65  -4.020   0.667  -9.872
  507    HB2  ALA  65           HB2      ALA  65  -4.251  -0.681 -11.004
  508    HB3  ALA  65           HB3      ALA  65  -5.564   0.490 -10.736
  509    H    ALA  66           H        ALA  66  -3.737  -0.144  -7.178
  510    HA   ALA  66           HA       ALA  66  -1.857  -2.363  -7.451
  511    HB1  ALA  66           HB1      ALA  66  -2.038  -0.075  -5.455
  512    HB2  ALA  66           HB2      ALA  66  -0.648  -1.166  -5.688
  513    HB3  ALA  66           HB3      ALA  66  -1.144  -0.059  -6.994
  514    H    VAL  67           H        VAL  67  -4.436  -1.374  -5.172
  515    HA   VAL  67           HA       VAL  67  -3.936  -3.413  -3.216
  516    HB   VAL  67           HB       VAL  67  -6.400  -1.847  -4.043
  517   HG11  VAL  67          HG11      VAL  67  -6.049  -3.733  -1.669
  518   HG12  VAL  67          HG12      VAL  67  -7.393  -2.582  -1.870
  519   HG13  VAL  67          HG13      VAL  67  -7.196  -3.924  -3.012
  520   HG21  VAL  67          HG21      VAL  67  -5.961  -0.597  -1.988
  521   HG22  VAL  67          HG22      VAL  67  -4.650  -1.715  -1.539
  522   HG23  VAL  67          HG23      VAL  67  -4.460  -0.640  -2.938
  523    H    ALA  68           H        ALA  68  -5.632  -3.408  -6.348
  524    HA   ALA  68           HA       ALA  68  -6.512  -6.193  -5.860
  525    HB1  ALA  68           HB1      ALA  68  -7.019  -4.297  -8.183
  526    HB2  ALA  68           HB2      ALA  68  -7.764  -5.894  -7.961
  527    HB3  ALA  68           HB3      ALA  68  -8.118  -4.583  -6.814
  528    H    GLY  69           H        GLY  69  -3.769  -4.607  -7.122
  529    HA2  GLY  69           HA2      GLY  69  -3.243  -6.736  -9.126
  530    HA3  GLY  69           HA3      GLY  69  -2.417  -5.175  -8.986
  531    H    GLU  70           H        GLU  70  -2.402  -5.964  -5.849
  532    HA   GLU  70           HA       GLU  70   0.044  -7.693  -6.052
  533    HB2  GLU  70           HB2      GLU  70  -0.267  -4.961  -4.789
  534    HB3  GLU  70           HB3      GLU  70   0.997  -6.095  -4.284
  535    HG2  GLU  70           HG2      GLU  70   0.626  -5.294  -7.188
  536    HG3  GLU  70           HG3      GLU  70   1.643  -4.379  -6.070
  537    H    ASP  71           H        ASP  71  -2.880  -6.796  -4.271
  538    HA   ASP  71           HA       ASP  71  -2.126  -7.910  -1.765
  539    HB2  ASP  71           HB2      ASP  71  -4.139  -6.556  -2.059
  540    HB3  ASP  71           HB3      ASP  71  -4.828  -7.781  -3.144
  541    H    GLY  72           H        GLY  72  -1.429  -9.933  -1.352
  542    HA2  GLY  72           HA2      GLY  72  -1.685 -12.253  -1.190
  543    HA3  GLY  72           HA3      GLY  72  -2.941 -12.208  -2.448
  544    H    ARG  73           H        ARG  73  -0.233 -10.344  -3.380
  545    HA   ARG  73           HA       ARG  73   0.768 -12.393  -5.193
  546    HB2  ARG  73           HB2      ARG  73   2.153 -10.717  -6.064
  547    HB3  ARG  73           HB3      ARG  73   0.648  -9.889  -5.644
  548    HG2  ARG  73           HG2      ARG  73   1.983  -8.414  -4.536
  549    HG3  ARG  73           HG3      ARG  73   2.105  -9.670  -3.291
  550    HD2  ARG  73           HD2      ARG  73   4.329  -8.930  -3.897
  551    HD3  ARG  73           HD3      ARG  73   4.129 -10.568  -4.550
  552    HE   ARG  73           HE       ARG  73   3.551  -8.196  -6.250
  553   HH11  ARG  73          HH11      ARG  73   5.615 -11.034  -5.673
  554   HH12  ARG  73          HH12      ARG  73   6.356 -10.923  -7.251
  555   HH21  ARG  73          HH21      ARG  73   4.513  -8.113  -8.254
  556   HH22  ARG  73          HH22      ARG  73   5.748  -9.269  -8.710
  557    H    MET  74           H        MET  74   3.289 -12.789  -5.070
  558    HA   MET  74           HA       MET  74   3.880 -13.350  -2.194
  559    HB2  MET  74           HB2      MET  74   3.331 -15.317  -3.602
  560    HB3  MET  74           HB3      MET  74   4.745 -14.970  -4.609
  561    HG2  MET  74           HG2      MET  74   6.253 -15.366  -2.811
  562    HG3  MET  74           HG3      MET  74   4.974 -15.222  -1.598
  563    HE1  MET  74           HE1      MET  74   2.608 -16.903  -2.457
  564    HE2  MET  74           HE2      MET  74   3.003 -18.493  -1.766
  565    HE3  MET  74           HE3      MET  74   3.360 -17.003  -0.858
  566    H    ILE  75           H        ILE  75   5.509 -12.252  -1.380
  567    HA   ILE  75           HA       ILE  75   7.739 -11.497  -3.196
  568    HB   ILE  75           HB       ILE  75   5.858  -9.773  -1.809
  569   HG12  ILE  75          HG12      ILE  75   8.212  -9.297  -3.685
  570   HG13  ILE  75          HG11      ILE  75   6.551  -9.681  -4.159
  571   HG21  ILE  75          HG21      ILE  75   8.793  -9.309  -1.162
  572   HG22  ILE  75          HG22      ILE  75   7.447  -8.184  -0.827
  573   HG23  ILE  75          HG23      ILE  75   7.520  -9.739   0.004
  574   HD11  ILE  75          HD11      ILE  75   5.770  -7.552  -3.126
  575   HD12  ILE  75          HD12      ILE  75   7.448  -7.164  -2.684
  576   HD13  ILE  75          HD13      ILE  75   6.977  -7.288  -4.394
  577    H    ALA  76           H        ALA  76   9.761 -11.754  -2.416
  578    HA   ALA  76           HA       ALA  76  11.343 -12.831  -1.251
  579    HB1  ALA  76           HB1      ALA  76   9.899 -11.752   1.184
  580    HB2  ALA  76           HB2      ALA  76  11.604 -12.241   1.073
  581    HB3  ALA  76           HB3      ALA  76  11.026 -10.817   0.164
  582    H    GLY  77           H        GLY  77   8.618 -14.214  -1.715
  583    HA2  GLY  77           HA2      GLY  77   8.153 -16.485  -1.544
  584    HA3  GLY  77           HA3      GLY  77   9.300 -16.627  -0.189
  585    H    GLN  78           H        GLN  78   7.336 -13.921   0.370
  586    HA   GLN  78           HA       GLN  78   5.384 -15.517   1.953
  587    HB2  GLN  78           HB2      GLN  78   7.089 -14.707   3.411
  588    HB3  GLN  78           HB3      GLN  78   7.070 -13.110   2.663
  589    HG2  GLN  78           HG2      GLN  78   4.410 -13.688   3.634
  590    HG3  GLN  78           HG3      GLN  78   5.587 -14.009   4.920
  591   HE21  GLN  78          HE21      GLN  78   5.252 -11.610   2.235
  592   HE22  GLN  78          HE22      GLN  78   5.490 -10.201   3.250
  593    H    VAL  79           H        VAL  79   3.315 -15.020   1.664
  594    HA   VAL  79           HA       VAL  79   2.411 -13.317  -0.442
  595    HB   VAL  79           HB       VAL  79   0.891 -14.470   1.933
  596   HG11  VAL  79          HG11      VAL  79  -0.401 -12.774   0.702
  597   HG12  VAL  79          HG12      VAL  79  -0.006 -13.586  -0.836
  598   HG13  VAL  79          HG13      VAL  79  -1.038 -14.395   0.377
  599   HG21  VAL  79          HG21      VAL  79   2.086 -16.241   0.723
  600   HG22  VAL  79          HG22      VAL  79   0.351 -16.334   0.387
  601   HG23  VAL  79          HG23      VAL  79   1.450 -15.637  -0.826
  602    H    LEU  80           H        LEU  80   1.604 -11.268  -0.486
  603    HA   LEU  80           HA       LEU  80   1.978  -9.658   1.970
  604    HB2  LEU  80           HB2      LEU  80   1.304  -8.727  -0.842
  605    HB3  LEU  80           HB3      LEU  80   1.771  -7.725   0.542
  606    HG   LEU  80           HG       LEU  80   3.520  -9.727  -0.947
  607   HD11  LEU  80          HD11      LEU  80   3.254  -7.555  -2.042
  608   HD12  LEU  80          HD12      LEU  80   3.604  -6.711  -0.512
  609   HD13  LEU  80          HD13      LEU  80   4.874  -7.656  -1.308
  610   HD21  LEU  80          HD21      LEU  80   4.019  -9.866   1.458
  611   HD22  LEU  80          HD22      LEU  80   5.319  -9.023   0.602
  612   HD23  LEU  80          HD23      LEU  80   4.124  -8.089   1.548
  613    H    ASP  81           H        ASP  81   0.393  -8.193   2.721
  614    HA   ASP  81           HA       ASP  81  -2.414  -8.823   1.933
  615    HB2  ASP  81           HB2      ASP  81  -1.220  -8.445   4.698
  616    HB3  ASP  81           HB3      ASP  81  -2.945  -8.290   4.370
  617    H    ILE  82           H        ILE  82  -2.824  -7.128   0.650
  618    HA   ILE  82           HA       ILE  82  -1.850  -4.426   1.465
  619    HB   ILE  82           HB       ILE  82  -2.268  -5.724  -1.224
  620   HG12  ILE  82          HG12      ILE  82   0.193  -4.412  -0.013
  621   HG13  ILE  82          HG11      ILE  82  -0.188  -6.103   0.328
  622   HG21  ILE  82          HG21      ILE  82  -1.478  -2.840  -0.598
  623   HG22  ILE  82          HG22      ILE  82  -1.529  -3.584  -2.207
  624   HG23  ILE  82          HG23      ILE  82  -3.028  -3.344  -1.304
  625   HD11  ILE  82          HD11      ILE  82   0.166  -4.972  -2.461
  626   HD12  ILE  82          HD12      ILE  82   1.386  -5.900  -1.543
  627   HD13  ILE  82          HD13      ILE  82  -0.141  -6.678  -2.011
  628    H    ASN  83           H        ASN  83  -3.271  -2.723   1.508
  629    HA   ASN  83           HA       ASN  83  -6.088  -3.091   0.709
  630    HB2  ASN  83           HB2      ASN  83  -5.790  -4.182   2.959
  631    HB3  ASN  83           HB3      ASN  83  -5.310  -2.607   3.608
  632   HD21  ASN  83          HD21      ASN  83  -6.914  -0.982   3.902
  633   HD22  ASN  83          HD22      ASN  83  -8.622  -1.354   3.758
  634    H    LEU  84           H        LEU  84  -7.267  -0.991   0.766
  635    HA   LEU  84           HA       LEU  84  -5.675   1.278   0.239
  636    HB2  LEU  84           HB2      LEU  84  -8.215   0.725  -0.248
  637    HB3  LEU  84           HB3      LEU  84  -8.493   1.420   1.357
  638    HG   LEU  84           HG       LEU  84  -7.062   3.425   0.485
  639   HD11  LEU  84          HD11      LEU  84  -7.870   2.060  -2.120
  640   HD12  LEU  84          HD12      LEU  84  -7.150   3.678  -1.990
  641   HD13  LEU  84          HD13      LEU  84  -6.209   2.241  -1.522
  642   HD21  LEU  84          HD21      LEU  84  -9.051   4.426  -0.630
  643   HD22  LEU  84          HD22      LEU  84  -9.804   2.813  -0.692
  644   HD23  LEU  84          HD23      LEU  84  -9.480   3.588   0.876
  645    H    ALA  85           H        ALA  85  -4.957   2.989   1.570
  646    HA   ALA  85           HA       ALA  85  -4.508   2.267   4.294
  647    HB1  ALA  85           HB1      ALA  85  -2.920   3.586   2.942
  648    HB2  ALA  85           HB2      ALA  85  -4.090   4.941   2.916
  649    HB3  ALA  85           HB3      ALA  85  -3.374   4.418   4.452
  650    H    ALA  86           H        ALA  86  -7.430   3.155   3.166
  651    HA   ALA  86           HA       ALA  86  -8.077   4.670   5.646
  652    HB1  ALA  86           HB1      ALA  86  -9.469   6.192   4.329
  653    HB2  ALA  86           HB2      ALA  86  -7.790   6.210   3.723
  654    HB3  ALA  86           HB3      ALA  86  -9.045   5.320   2.837
  655    H    GLU  87           H        GLU  87  -8.579   1.844   4.072
  656    HA   GLU  87           HA       GLU  87 -11.319   1.620   5.173
  657    HB2  GLU  87           HB2      GLU  87 -10.514   0.769   2.366
  658    HB3  GLU  87           HB3      GLU  87 -12.045   0.366   3.163
  659    HG2  GLU  87           HG2      GLU  87 -12.523   2.804   3.406
  660    HG3  GLU  87           HG3      GLU  87 -11.059   3.162   2.476
  661    HA   PRO  88           HA       PRO  88  -8.411  -2.028   6.016
  662    HB2  PRO  88           HB2      PRO  88  -8.311  -1.853   8.739
  663    HB3  PRO  88           HB3      PRO  88  -7.140  -1.031   7.667
  664    HG2  PRO  88           HG2      PRO  88  -9.648   0.147   8.922
  665    HG3  PRO  88           HG3      PRO  88  -7.996   0.845   8.912
  666    HD2  PRO  88           HD2      PRO  88  -9.858   1.631   7.099
  667    HD3  PRO  88           HD3      PRO  88  -8.157   1.385   6.595
  668    H    LYS  89           H        LYS  89  -9.166  -3.984   6.980
  669    HA   LYS  89           HA       LYS  89 -11.997  -4.023   7.802
  670    HB2  LYS  89           HB2      LYS  89 -12.431  -5.718   5.927
  671    HB3  LYS  89           HB3      LYS  89 -12.339  -4.007   5.507
  672    HG2  LYS  89           HG2      LYS  89 -10.023  -4.285   4.670
  673    HG3  LYS  89           HG3      LYS  89 -10.054  -6.000   5.104
  674    HD2  LYS  89           HD2      LYS  89 -10.512  -5.768   2.748
  675    HD3  LYS  89           HD3      LYS  89 -11.982  -6.329   3.561
  676    HE2  LYS  89           HE2      LYS  89 -12.858  -4.014   3.579
  677    HE3  LYS  89           HE3      LYS  89 -11.372  -3.442   2.799
  678    HZ1  LYS  89           HZ1      LYS  89 -13.140  -3.779   1.219
  679    HZ2  LYS  89           HZ2      LYS  89 -11.906  -4.820   0.914
  680    HZ3  LYS  89           HZ3      LYS  89 -13.280  -5.363   1.637
  681    H    VAL  90           H        VAL  90 -10.708  -6.824   6.387
  682    HA   VAL  90           HA       VAL  90  -9.986  -8.010   9.042
  683    HB   VAL  90           HB       VAL  90 -11.894  -8.985   6.892
  684   HG11  VAL  90          HG11      VAL  90 -11.974 -11.156   8.096
  685   HG12  VAL  90          HG12      VAL  90 -10.416 -10.863   7.295
  686   HG13  VAL  90          HG13      VAL  90 -10.570 -10.641   9.061
  687   HG21  VAL  90          HG21      VAL  90 -12.821  -7.642   8.739
  688   HG22  VAL  90          HG22      VAL  90 -13.374  -9.329   8.833
  689   HG23  VAL  90          HG23      VAL  90 -12.089  -8.750   9.922
  690    H    ASN  91           H        ASN  91  -9.515  -7.762   5.556
  691    HA   ASN  91           HA       ASN  91  -7.809 -10.071   5.343
  692    HB2  ASN  91           HB2      ASN  91  -8.119  -7.712   3.457
  693    HB3  ASN  91           HB3      ASN  91  -7.507  -9.333   3.060
  694   HD21  ASN  91          HD21      ASN  91  -9.181 -11.145   3.843
  695   HD22  ASN  91          HD22      ASN  91 -10.833 -10.849   3.327
  696    H    ARG  92           H        ARG  92  -7.298  -7.060   6.767
  697    HA   ARG  92           HA       ARG  92  -4.571  -6.539   5.998
  698    HB2  ARG  92           HB2      ARG  92  -5.983  -4.817   7.011
  699    HB3  ARG  92           HB3      ARG  92  -6.254  -5.830   8.441
  700    HG2  ARG  92           HG2      ARG  92  -3.856  -5.704   9.019
  701    HG3  ARG  92           HG3      ARG  92  -3.553  -4.741   7.555
  702    HD2  ARG  92           HD2      ARG  92  -3.695  -3.294   9.509
  703    HD3  ARG  92           HD3      ARG  92  -5.059  -2.975   8.416
  704    HE   ARG  92           HE       ARG  92  -5.889  -4.912  10.310
  705   HH11  ARG  92          HH11      ARG  92  -4.969  -1.505  10.171
  706   HH12  ARG  92          HH12      ARG  92  -6.000  -1.044  11.508
  707   HH21  ARG  92          HH21      ARG  92  -7.227  -4.284  12.065
  708   HH22  ARG  92          HH22      ARG  92  -7.266  -2.614  12.576
  709    H    GLY  93           H        GLY  93  -6.111  -8.381   8.653
  710    HA2  GLY  93           HA2      GLY  93  -5.315 -10.048   9.987
  711    HA3  GLY  93           HA3      GLY  93  -3.977 -10.254   8.845
  712    H    LYS  94           H        LYS  94  -3.267 -10.734  11.266
  713    HA   LYS  94           HA       LYS  94  -1.539  -8.430  11.992
  714    HB2  LYS  94           HB2      LYS  94  -3.518  -9.880  13.747
  715    HB3  LYS  94           HB3      LYS  94  -2.016  -9.272  14.460
  716    HG2  LYS  94           HG2      LYS  94  -3.994  -7.554  12.906
  717    HG3  LYS  94           HG3      LYS  94  -3.939  -7.706  14.676
  718    HD2  LYS  94           HD2      LYS  94  -1.550  -6.937  14.626
  719    HD3  LYS  94           HD3      LYS  94  -1.737  -6.589  12.891
  720    HE2  LYS  94           HE2      LYS  94  -3.466  -5.412  15.100
  721    HE3  LYS  94           HE3      LYS  94  -2.063  -4.599  14.393
  722    HZ1  LYS  94           HZ1      LYS  94  -4.414  -5.458  12.847
  723    HZ2  LYS  94           HZ2      LYS  94  -4.150  -3.928  13.394
  724    HZ3  LYS  94           HZ3      LYS  94  -3.133  -4.578  12.291
  725    H    ALA  95           H        ALA  95  -2.046 -11.880  11.650
  726    HA   ALA  95           HA       ALA  95   0.829 -12.228  11.965
  727    HB1  ALA  95           HB1      ALA  95  -0.027 -12.512  14.280
  728    HB2  ALA  95           HB2      ALA  95  -1.141 -13.772  13.707
  729    HB3  ALA  95           HB3      ALA  95   0.617 -14.042  13.644
  730    H    GLY  96           H        GLY  96  -1.021 -12.375   9.764
  731    HA2  GLY  96           HA2      GLY  96  -1.168 -13.683   7.858
  732    HA3  GLY  96           HA3      GLY  96  -0.246 -14.959   8.679
  733    H    VAL  97           H        VAL  97  -2.731 -14.126  10.744
  734    HA   VAL  97           HA       VAL  97  -4.543 -16.189   9.592
  735    HB   VAL  97           HB       VAL  97  -3.453 -16.882  11.674
  736   HG11  VAL  97          HG11      VAL  97  -4.884 -14.514  12.960
  737   HG12  VAL  97          HG12      VAL  97  -3.971 -15.781  13.803
  738   HG13  VAL  97          HG13      VAL  97  -3.130 -14.658  12.716
  739   HG21  VAL  97          HG21      VAL  97  -5.778 -17.623  11.125
  740   HG22  VAL  97          HG22      VAL  97  -5.467 -17.549  12.872
  741   HG23  VAL  97          HG23      VAL  97  -6.408 -16.265  12.087
  742    H    LYS  98           H        LYS  98  -6.648 -15.743   9.320
  743    HA   LYS  98           HA       LYS  98  -7.597 -13.017  10.062
  744    HB2  LYS  98           HB2      LYS  98  -8.068 -14.570   7.484
  745    HB3  LYS  98           HB3      LYS  98  -8.800 -13.005   7.869
  746    HG2  LYS  98           HG2      LYS  98  -6.648 -11.906   7.900
  747    HG3  LYS  98           HG3      LYS  98  -5.782 -13.452   7.810
  748    HD2  LYS  98           HD2      LYS  98  -6.727 -13.903   5.598
  749    HD3  LYS  98           HD3      LYS  98  -7.586 -12.344   5.633
  750    HE2  LYS  98           HE2      LYS  98  -5.431 -11.150   5.842
  751    HE3  LYS  98           HE3      LYS  98  -4.563 -12.689   5.897
  752    HZ1  LYS  98           HZ1      LYS  98  -6.153 -11.715   3.617
  753    HZ2  LYS  98           HZ2      LYS  98  -4.517 -11.708   3.720
  754    HZ3  LYS  98           HZ3      LYS  98  -5.320 -13.138   3.669
  755    H    ARG  99           H        ARG  99  -7.849 -15.947  11.058
  756    HA   ARG  99           HA       ARG  99 -10.804 -16.170  11.100
  757    HB2  ARG  99           HB2      ARG  99  -9.148 -18.053  10.338
  758    HB3  ARG  99           HB3      ARG  99  -8.753 -18.206  12.047
  759    HG2  ARG  99           HG2      ARG  99 -10.342 -19.873  11.554
  760    HG3  ARG  99           HG3      ARG  99 -11.239 -18.657  12.462
  761    HD2  ARG  99           HD2      ARG  99 -11.159 -18.822   9.421
  762    HD3  ARG  99           HD3      ARG  99 -12.395 -19.619  10.401
  763    HE   ARG  99           HE       ARG  99 -12.287 -16.831   9.676
  764   HH11  ARG  99          HH11      ARG  99 -13.395 -19.039  12.225
  765   HH12  ARG  99          HH12      ARG  99 -14.636 -17.943  12.774
  766   HH21  ARG  99          HH21      ARG  99 -13.913 -15.437  10.428
  767   HH22  ARG  99          HH22      ARG  99 -14.922 -15.918  11.772
  768    H    SER 100           H        SER 100 -11.494 -17.278  13.352
  769    HA   SER 100           HA       SER 100 -11.202 -15.365  15.397
  770    HB2  SER 100           HB2      SER 100 -12.002 -18.299  15.420
  771    HB3  SER 100           HB3      SER 100 -12.208 -17.211  16.800
  772    HG   SER 100           HG       SER 100 -14.086 -17.311  15.494
  773    H    ALA 101           H        ALA 101  -9.069 -17.938  14.427
  774    HA   ALA 101           HA       ALA 101  -7.252 -18.923  15.335
  775    HB1  ALA 101           HB1      ALA 101  -6.439 -16.631  15.029
  776    HB2  ALA 101           HB2      ALA 101  -6.924 -16.226  16.688
  777    HB3  ALA 101           HB3      ALA 101  -5.650 -17.439  16.404
  778    H    ALA 102           H        ALA 102  -9.862 -19.013  16.927
  779    HA   ALA 102           HA       ALA 102  -8.709 -20.288  19.311
  780    HB1  ALA 102           HB1      ALA 102 -10.746 -18.035  19.459
  781    HB2  ALA 102           HB2      ALA 102 -10.195 -19.037  20.825
  782    HB3  ALA 102           HB3      ALA 102  -9.050 -17.958  19.995
  783    H    GLU 103           H        GLU 103 -10.592 -20.626  16.690
  784    HA   GLU 103           HA       GLU 103 -13.055 -21.570  17.919
  785    HB2  GLU 103           HB2      GLU 103 -13.727 -22.080  15.631
  786    HB3  GLU 103           HB3      GLU 103 -13.081 -20.434  15.754
  787    HG2  GLU 103           HG2      GLU 103 -10.952 -21.147  14.795
  788    HG3  GLU 103           HG3      GLU 103 -11.455 -22.844  14.830
  789    H    MET 104           H        MET 104 -10.008 -22.956  17.606
  790    HA   MET 104           HA       MET 104 -11.162 -25.700  17.677
  791    HB2  MET 104           HB2      MET 104  -9.322 -26.497  16.290
  792    HB3  MET 104           HB3      MET 104 -10.272 -25.251  15.447
  793    HG2  MET 104           HG2      MET 104  -8.569 -23.554  16.067
  794    HG3  MET 104           HG3      MET 104  -7.629 -24.805  16.887
  795    HE1  MET 104           HE1      MET 104  -8.281 -24.511  12.307
  796    HE2  MET 104           HE2      MET 104  -9.588 -24.973  13.423
  797    HE3  MET 104           HE3      MET 104  -8.888 -23.340  13.500
  798    H    TYR 105           H        TYR 105  -9.839 -23.551  19.602
  799    HA   TYR 105           HA       TYR 105  -7.873 -25.428  20.831
  800    HB2  TYR 105           HB2      TYR 105  -8.110 -22.421  21.127
  801    HB3  TYR 105           HB3      TYR 105  -6.902 -23.448  21.897
  802    HD1  TYR 105           HD1      TYR 105  -8.086 -22.086  18.653
  803    HD2  TYR 105           HD2      TYR 105  -4.965 -24.229  20.695
  804    HE1  TYR 105           HE1      TYR 105  -6.602 -21.750  16.707
  805    HE2  TYR 105           HE2      TYR 105  -3.474 -23.925  18.732
  806    HH   TYR 105           HH       TYR 105  -4.527 -22.161  15.799
  807    H    GLY 106           H        GLY 106 -11.042 -24.735  21.095
  808    HA2  GLY 106           HA2      GLY 106 -11.332 -25.777  23.715
  809    HA3  GLY 106           HA3      GLY 106 -11.476 -24.010  23.796
  810    H5'    U   1           H5'        U   1   2.813  -5.363  12.261
  811   H5''    U   1          H5''        U   1   2.354  -6.771  11.294
  812    H4'    U   1           H4'        U   1   2.580  -3.914  10.216
  813    H3'    U   1           H3'        U   1   0.646  -4.875  11.943
  814    H2'    U   1           H2'        U   1  -0.369  -6.563  10.839
  815   HO2'    U   1          HO2'        U   1  -1.745  -4.605  10.317
  816    H1'    U   1           H1'        U   1   0.148  -5.970   8.096
  817    H3     U   1           H3         U   1   3.238  -9.980   9.304
  818    H5     U   1           H5         U   1  -0.935 -10.433   9.381
  819    H6     U   1           H6         U   1  -1.133  -8.024   9.238
  820    H5'    U   2           H5'        U   2   0.926  -0.914   9.945
  821   H5''    U   2          H5''        U   2   0.843  -0.430  11.646
  822    H4'    U   2           H4'        U   2   0.934   1.552  10.257
  823    H3'    U   2           H3'        U   2  -0.971   1.084  12.233
  824    H2'    U   2           H2'        U   2  -2.689   0.466  10.735
  825   HO2'    U   2          HO2'        U   2  -3.449   2.317  11.916
  826    H1'    U   2           H1'        U   2  -1.780   2.712   8.936
  827    H3     U   2           H3         U   2  -5.118   2.029   6.050
  828    H5     U   2           H5         U   2  -4.003  -1.890   7.098
  829    H6     U   2           H6         U   2  -2.378  -0.966   8.636
  830    H5'    U   3           H5'        U   3   2.601   2.358  10.687
  831   H5''    U   3          H5''        U   3   3.404   3.089  12.087
  832    H4'    U   3           H4'        U   3   4.742   3.584  10.175
  833    H3'    U   3           H3'        U   3   3.806   5.577  11.820
  834    H2'    U   3           H2'        U   3   2.014   6.281  10.453
  835   HO2'    U   3          HO2'        U   3   3.874   7.951  10.507
  836    H1'    U   3           H1'        U   3   3.652   5.927   7.953
  837    H3     U   3           H3         U   3   0.089   6.822   5.377
  838    H5     U   3           H5         U   3  -1.634   4.845   8.665
  839    H6     U   3           H6         U   3   0.582   4.653   9.629
  840    H5'    U   4           H5'        U   4   7.918   5.187  10.116
  841   H5''    U   4          H5''        U   4   8.859   5.854  11.461
  842    H4'    U   4           H4'        U   4  10.248   5.579   9.441
  843    H3'    U   4           H3'        U   4  10.191   7.823  11.060
  844    H2'    U   4           H2'        U   4   8.788   9.135   9.719
  845   HO2'    U   4          HO2'        U   4  11.405   9.481   8.672
  846    H1'    U   4           H1'        U   4  10.035   8.137   7.157
  847    H3     U   4           H3         U   4   7.229  11.349   5.591
  848    H5     U   4           H5         U   4   4.695   8.616   7.531
  849    H6     U   4           H6         U   4   6.657   7.453   8.330
  850    H5'    C   5           H5'        C   5  14.648   5.765   8.631
  851   H5''    C   5          H5''        C   5  13.217   6.133   7.658
  852    H4'    C   5           H4'        C   5  14.347   4.177   6.742
  853    H3'    C   5           H3'        C   5  11.658   3.798   8.008
  854    H2'    C   5           H2'        C   5  11.772   1.401   7.770
  855   HO2'    C   5          HO2'        C   5  12.806   1.450   5.675
  856    H1'    C   5           H1'        C   5  14.232   1.100   8.767
  857    H41    C   5           H41        C   5  12.030   2.710  14.549
  858    H42    C   5           H42        C   5  10.411   2.756  13.883
  859    H5     C   5           H5         C   5   9.962   2.525  11.493
  860    H6     C   5           H6         C   5  10.967   2.243   9.321
  Start of MODEL   20
    1    H1   ALA   2           H1       ALA   2  11.569   8.733  -5.400
    2    H2   ALA   2           H2       ALA   2  10.938   7.358  -4.729
    3    H3   ALA   2           H3       ALA   2  10.518   7.797  -6.269
    4    HA   ALA   2           HA       ALA   2   9.428   9.756  -5.484
    5    HB1  ALA   2           HB1      ALA   2   8.141   7.683  -5.787
    6    HB2  ALA   2           HB2      ALA   2   8.492   7.215  -4.111
    7    HB3  ALA   2           HB3      ALA   2   7.504   8.660  -4.448
    8    H    SER   3           H        SER   3   8.309  10.702  -3.493
    9    HA   SER   3           HA       SER   3  10.302  11.441  -1.581
   10    HB2  SER   3           HB2      SER   3   7.283  11.794  -1.510
   11    HB3  SER   3           HB3      SER   3   8.466  12.665  -0.513
   12    HG   SER   3           HG       SER   3   7.848  13.836  -2.392
   13    H    ASN   4           H        ASN   4  10.266  11.153   0.738
   14    HA   ASN   4           HA       ASN   4   9.708   8.374   1.436
   15    HB2  ASN   4           HB2      ASN   4  11.807   9.686   2.031
   16    HB3  ASN   4           HB3      ASN   4  10.818  10.629   3.149
   17   HD21  ASN   4          HD21      ASN   4  11.938   9.926   5.012
   18   HD22  ASN   4          HD22      ASN   4  11.827   8.277   5.596
   19    H    VAL   5           H        VAL   5   7.758  11.052   1.338
   20    HA   VAL   5           HA       VAL   5   6.451  10.628   3.944
   21    HB   VAL   5           HB       VAL   5   6.002  12.649   1.724
   22   HG11  VAL   5          HG11      VAL   5   3.901  12.236   2.973
   23   HG12  VAL   5          HG12      VAL   5   4.772  12.491   4.510
   24   HG13  VAL   5          HG13      VAL   5   4.575  13.829   3.365
   25   HG21  VAL   5          HG21      VAL   5   6.980  14.223   3.383
   26   HG22  VAL   5          HG22      VAL   5   7.243  12.865   4.505
   27   HG23  VAL   5          HG23      VAL   5   8.131  12.937   2.970
   28    H    THR   6           H        THR   6   4.631   9.521   4.264
   29    HA   THR   6           HA       THR   6   2.813   8.940   2.026
   30    HB   THR   6           HB       THR   6   2.781   6.516   2.589
   31    HG1  THR   6           HG1      THR   6   3.729   6.575   4.621
   32   HG21  THR   6          HG21      THR   6   5.526   7.476   1.695
   33   HG22  THR   6          HG22      THR   6   4.802   5.880   1.421
   34   HG23  THR   6          HG23      THR   6   4.088   7.321   0.656
   35    H    ASN   7           H        ASN   7   2.989  10.279   4.963
   36    HA   ASN   7           HA       ASN   7   0.480   8.940   5.869
   37    HB2  ASN   7           HB2      ASN   7   2.420   8.366   7.283
   38    HB3  ASN   7           HB3      ASN   7   2.629  10.084   7.668
   39   HD21  ASN   7          HD21      ASN   7   2.295   8.548   9.798
   40   HD22  ASN   7          HD22      ASN   7   0.680   8.690  10.460
   41    H    LYS   8           H        LYS   8  -1.100  10.244   5.399
   42    HA   LYS   8           HA       LYS   8  -1.312  12.889   6.655
   43    HB2  LYS   8           HB2      LYS   8  -1.654  12.473   3.649
   44    HB3  LYS   8           HB3      LYS   8  -2.235  13.883   4.558
   45    HG2  LYS   8           HG2      LYS   8   0.132  14.280   5.328
   46    HG3  LYS   8           HG3      LYS   8   0.658  13.007   4.197
   47    HD2  LYS   8           HD2      LYS   8  -0.891  15.513   3.426
   48    HD3  LYS   8           HD3      LYS   8   0.865  15.315   3.263
   49    HE2  LYS   8           HE2      LYS   8   0.507  13.401   1.727
   50    HE3  LYS   8           HE3      LYS   8  -1.242  13.566   1.916
   51    HZ1  LYS   8           HZ1      LYS   8   0.554  15.608   0.787
   52    HZ2  LYS   8           HZ2      LYS   8  -0.453  14.643  -0.081
   53    HZ3  LYS   8           HZ3      LYS   8  -1.074  15.759   0.951
   54    H    THR   9           H        THR   9  -3.693  13.600   6.496
   55    HA   THR   9           HA       THR   9  -5.438  11.194   6.266
   56    HB   THR   9           HB       THR   9  -6.692  12.003   8.227
   57    HG1  THR   9           HG1      THR   9  -6.108  14.179   8.187
   58   HG21  THR   9          HG21      THR   9  -5.053  11.333   9.914
   59   HG22  THR   9          HG22      THR   9  -4.881  10.317   8.465
   60   HG23  THR   9          HG23      THR   9  -3.719  11.628   8.775
   61    H    ASP  10           H        ASP  10  -4.828  13.746   4.556
   62    HA   ASP  10           HA       ASP  10  -7.459  15.017   4.503
   63    HB2  ASP  10           HB2      ASP  10  -5.002  15.279   2.723
   64    HB3  ASP  10           HB3      ASP  10  -6.456  16.279   2.588
   65    HA   PRO  11           HA       PRO  11  -9.462  12.435   1.624
   66    HB2  PRO  11           HB2      PRO  11 -10.932  14.214   0.123
   67    HB3  PRO  11           HB3      PRO  11 -11.324  13.785   1.823
   68    HG2  PRO  11           HG2      PRO  11  -9.736  16.168   0.815
   69    HG3  PRO  11           HG3      PRO  11 -11.108  16.163   1.980
   70    HD2  PRO  11           HD2      PRO  11  -8.549  16.206   2.857
   71    HD3  PRO  11           HD3      PRO  11  -9.761  15.161   3.672
   72    H    ARG  12           H        ARG  12  -9.063  11.563  -0.273
   73    HA   ARG  12           HA       ARG  12  -7.937  10.977  -2.130
   74    HB2  ARG  12           HB2      ARG  12  -8.483  13.885  -2.659
   75    HB3  ARG  12           HB3      ARG  12  -7.477  12.973  -3.799
   76    HG2  ARG  12           HG2      ARG  12 -10.164  11.935  -2.837
   77    HG3  ARG  12           HG3      ARG  12  -9.992  12.964  -4.272
   78    HD2  ARG  12           HD2      ARG  12  -8.547  11.361  -5.368
   79    HD3  ARG  12           HD3      ARG  12  -8.365  10.421  -3.885
   80    HE   ARG  12           HE       ARG  12 -10.421   9.405  -4.217
   81   HH11  ARG  12          HH11      ARG  12 -10.060  12.042  -6.548
   82   HH12  ARG  12          HH12      ARG  12 -11.432  11.522  -7.501
   83   HH21  ARG  12          HH21      ARG  12 -12.139   8.750  -5.453
   84   HH22  ARG  12          HH22      ARG  12 -12.625   9.647  -6.877
   85    H    SER  13           H        SER  13  -6.500  12.694   0.215
   86    HA   SER  13           HA       SER  13  -3.781  12.292  -0.955
   87    HB2  SER  13           HB2      SER  13  -4.631  13.598   1.651
   88    HB3  SER  13           HB3      SER  13  -2.972  13.480   1.042
   89    HG   SER  13           HG       SER  13  -5.143  14.817  -0.218
   90    H    MET  14           H        MET  14  -6.112  11.031   1.394
   91    HA   MET  14           HA       MET  14  -4.144   8.907   2.059
   92    HB2  MET  14           HB2      MET  14  -5.129   8.655   4.084
   93    HB3  MET  14           HB3      MET  14  -5.396  10.393   3.817
   94    HG2  MET  14           HG2      MET  14  -7.683   9.995   3.124
   95    HG3  MET  14           HG3      MET  14  -7.460   8.246   3.223
   96    HE1  MET  14           HE1      MET  14  -6.891   6.937   5.460
   97    HE2  MET  14           HE2      MET  14  -5.644   8.074   6.016
   98    HE3  MET  14           HE3      MET  14  -6.986   7.648   7.087
   99    H    ASN  15           H        ASN  15  -6.653   9.463  -0.102
  100    HA   ASN  15           HA       ASN  15  -7.610   6.658   0.051
  101    HB2  ASN  15           HB2      ASN  15  -8.622   8.911  -1.712
  102    HB3  ASN  15           HB3      ASN  15  -9.405   7.355  -1.371
  103   HD21  ASN  15          HD21      ASN  15  -9.640   6.940   1.158
  104   HD22  ASN  15          HD22      ASN  15 -10.265   8.309   2.059
  105    H    SER  16           H        SER  16  -5.501   8.727  -1.790
  106    HA   SER  16           HA       SER  16  -5.216   6.779  -3.967
  107    HB2  SER  16           HB2      SER  16  -3.547   8.404  -4.811
  108    HB3  SER  16           HB3      SER  16  -5.117   9.177  -4.453
  109    HG   SER  16           HG       SER  16  -3.427  10.398  -3.598
  110    H    ARG  17           H        ARG  17  -4.391   6.638  -0.862
  111    HA   ARG  17           HA       ARG  17  -1.569   5.792  -1.171
  112    HB2  ARG  17           HB2      ARG  17  -2.368   7.321   0.652
  113    HB3  ARG  17           HB3      ARG  17  -3.326   5.972   1.285
  114    HG2  ARG  17           HG2      ARG  17  -1.233   4.636   1.577
  115    HG3  ARG  17           HG3      ARG  17  -0.289   6.024   0.964
  116    HD2  ARG  17           HD2      ARG  17  -2.037   5.951   3.442
  117    HD3  ARG  17           HD3      ARG  17  -0.263   6.059   3.391
  118    HE   ARG  17           HE       ARG  17  -0.825   8.226   1.988
  119   HH11  ARG  17          HH11      ARG  17  -2.362   7.129   4.993
  120   HH12  ARG  17          HH12      ARG  17  -2.971   8.720   5.373
  121   HH21  ARG  17          HH21      ARG  17  -1.681  10.242   2.488
  122   HH22  ARG  17          HH22      ARG  17  -2.559  10.474   3.988
  123    H    VAL  18           H        VAL  18  -0.882   3.688  -0.522
  124    HA   VAL  18           HA       VAL  18  -3.046   1.683  -0.139
  125    HB   VAL  18           HB       VAL  18  -0.634   1.400  -1.973
  126   HG11  VAL  18          HG11      VAL  18  -1.066  -0.699  -0.789
  127   HG12  VAL  18          HG12      VAL  18  -2.803  -0.563  -1.133
  128   HG13  VAL  18          HG13      VAL  18  -1.643  -0.827  -2.463
  129   HG21  VAL  18          HG21      VAL  18  -2.436   2.680  -3.000
  130   HG22  VAL  18          HG22      VAL  18  -2.493   1.019  -3.650
  131   HG23  VAL  18          HG23      VAL  18  -3.650   1.519  -2.401
  132    H    PHE  19           H        PHE  19  -2.758   0.382   1.513
  133    HA   PHE  19           HA       PHE  19  -0.243   0.478   3.054
  134    HB2  PHE  19           HB2      PHE  19  -2.336   0.804   4.256
  135    HB3  PHE  19           HB3      PHE  19  -3.011  -0.661   3.545
  136    HD1  PHE  19           HD1      PHE  19   0.229   0.134   5.309
  137    HD2  PHE  19           HD2      PHE  19  -3.287  -2.328   5.098
  138    HE1  PHE  19           HE1      PHE  19   1.043  -1.183   7.235
  139    HE2  PHE  19           HE2      PHE  19  -2.460  -3.671   7.022
  140    HZ   PHE  19           HZ       PHE  19  -0.293  -3.109   8.082
  141    H    ILE  20           H        ILE  20   1.167  -1.228   3.177
  142    HA   ILE  20           HA       ILE  20   0.417  -3.742   1.750
  143    HB   ILE  20           HB       ILE  20   3.099  -2.314   1.822
  144   HG12  ILE  20          HG12      ILE  20   1.406  -2.898  -0.632
  145   HG13  ILE  20          HG11      ILE  20   1.225  -1.403   0.289
  146   HG21  ILE  20          HG21      ILE  20   2.270  -4.924   0.459
  147   HG22  ILE  20          HG22      ILE  20   3.845  -4.120   0.265
  148   HG23  ILE  20          HG23      ILE  20   3.377  -4.780   1.833
  149   HD11  ILE  20          HD11      ILE  20   3.820  -2.382  -0.976
  150   HD12  ILE  20          HD12      ILE  20   2.772  -1.080  -1.583
  151   HD13  ILE  20          HD13      ILE  20   3.623  -0.893  -0.030
  152    H    GLY  21           H        GLY  21  -0.312  -4.530   3.772
  153    HA2  GLY  21           HA2      GLY  21   1.571  -4.773   5.995
  154    HA3  GLY  21           HA3      GLY  21  -0.076  -5.397   5.919
  155    H    ASN  22           H        ASN  22   1.677  -7.071   7.010
  156    HA   ASN  22           HA       ASN  22   2.779  -9.033   6.898
  157    HB2  ASN  22           HB2      ASN  22   0.414  -9.657   6.282
  158    HB3  ASN  22           HB3      ASN  22   0.896  -9.607   4.591
  159   HD21  ASN  22          HD21      ASN  22   0.221 -11.884   4.579
  160   HD22  ASN  22          HD22      ASN  22   1.367 -13.114   5.084
  161    H    LEU  23           H        LEU  23   4.345  -7.155   5.758
  162    HA   LEU  23           HA       LEU  23   5.313  -8.268   3.181
  163    HB2  LEU  23           HB2      LEU  23   4.774  -5.861   3.306
  164    HB3  LEU  23           HB3      LEU  23   5.926  -5.670   4.631
  165    HG   LEU  23           HG       LEU  23   7.780  -6.316   3.119
  166   HD11  LEU  23          HD11      LEU  23   5.616  -6.374   0.977
  167   HD12  LEU  23          HD12      LEU  23   7.362  -6.403   0.672
  168   HD13  LEU  23          HD13      LEU  23   6.600  -7.758   1.532
  169   HD21  LEU  23          HD21      LEU  23   7.757  -4.261   1.788
  170   HD22  LEU  23          HD22      LEU  23   5.994  -4.121   1.996
  171   HD23  LEU  23          HD23      LEU  23   7.075  -3.954   3.399
  172    H    ASN  24           H        ASN  24   7.476  -9.030   2.951
  173    HA   ASN  24           HA       ASN  24   8.507 -10.272   5.321
  174    HB2  ASN  24           HB2      ASN  24   8.691 -11.122   2.924
  175    HB3  ASN  24           HB3      ASN  24   9.906  -9.874   2.649
  176   HD21  ASN  24          HD21      ASN  24  11.794 -11.034   2.471
  177   HD22  ASN  24          HD22      ASN  24  12.396 -12.120   3.705
  178    H    THR  25           H        THR  25   9.366  -7.405   3.473
  179    HA   THR  25           HA       THR  25  10.793  -5.718   3.697
  180    HB   THR  25           HB       THR  25  10.889  -4.604   5.826
  181    HG1  THR  25           HG1      THR  25  11.188  -6.426   7.179
  182   HG21  THR  25          HG21      THR  25   8.221  -5.981   5.308
  183   HG22  THR  25          HG22      THR  25   8.449  -4.487   6.239
  184   HG23  THR  25          HG23      THR  25   8.828  -4.505   4.502
  185    H    LEU  26           H        LEU  26  11.959  -8.664   4.441
  186    HA   LEU  26           HA       LEU  26  14.629  -7.709   5.303
  187    HB2  LEU  26           HB2      LEU  26  13.120 -10.277   5.276
  188    HB3  LEU  26           HB3      LEU  26  14.862 -10.396   4.977
  189    HG   LEU  26           HG       LEU  26  15.353  -9.166   7.042
  190   HD11  LEU  26          HD11      LEU  26  13.592  -8.765   8.714
  191   HD12  LEU  26          HD12      LEU  26  13.283  -7.818   7.246
  192   HD13  LEU  26          HD13      LEU  26  12.354  -9.306   7.555
  193   HD21  LEU  26          HD21      LEU  26  15.223 -11.624   7.067
  194   HD22  LEU  26          HD22      LEU  26  14.667 -10.947   8.614
  195   HD23  LEU  26          HD23      LEU  26  13.483 -11.537   7.428
  196    H    VAL  27           H        VAL  27  12.882  -8.478   2.429
  197    HA   VAL  27           HA       VAL  27  15.455  -8.533   0.904
  198    HB   VAL  27           HB       VAL  27  12.901 -10.076   0.325
  199   HG11  VAL  27          HG11      VAL  27  15.563  -9.984  -1.163
  200   HG12  VAL  27          HG12      VAL  27  14.252 -11.141  -1.476
  201   HG13  VAL  27          HG13      VAL  27  13.987  -9.413  -1.771
  202   HG21  VAL  27          HG21      VAL  27  14.221 -11.067   2.172
  203   HG22  VAL  27          HG22      VAL  27  14.318 -12.070   0.714
  204   HG23  VAL  27          HG23      VAL  27  15.681 -11.019   1.160
  205    H    VAL  28           H        VAL  28  12.263  -7.184   1.349
  206    HA   VAL  28           HA       VAL  28  12.618  -5.582  -1.141
  207    HB   VAL  28           HB       VAL  28  10.122  -6.025   0.531
  208   HG11  VAL  28          HG11      VAL  28  10.544  -4.595  -2.129
  209   HG12  VAL  28          HG12      VAL  28   8.974  -4.925  -1.363
  210   HG13  VAL  28          HG13      VAL  28  10.119  -3.823  -0.579
  211   HG21  VAL  28          HG21      VAL  28  10.751  -8.050  -0.696
  212   HG22  VAL  28          HG22      VAL  28   9.374  -7.276  -1.505
  213   HG23  VAL  28          HG23      VAL  28  11.007  -7.101  -2.184
  214    H    LYS  29           H        LYS  29  12.716  -3.380  -1.068
  215    HA   LYS  29           HA       LYS  29  12.666  -2.035   1.591
  216    HB2  LYS  29           HB2      LYS  29  14.872  -1.911  -0.511
  217    HB3  LYS  29           HB3      LYS  29  14.649  -0.705   0.757
  218    HG2  LYS  29           HG2      LYS  29  16.226  -2.045   1.717
  219    HG3  LYS  29           HG3      LYS  29  14.734  -2.693   2.416
  220    HD2  LYS  29           HD2      LYS  29  14.804  -4.553   0.736
  221    HD3  LYS  29           HD3      LYS  29  16.258  -3.835   0.025
  222    HE2  LYS  29           HE2      LYS  29  16.847  -5.672   1.531
  223    HE3  LYS  29           HE3      LYS  29  17.466  -4.136   2.152
  224    HZ1  LYS  29           HZ1      LYS  29  14.986  -5.449   3.067
  225    HZ2  LYS  29           HZ2      LYS  29  16.423  -5.469   3.864
  226    HZ3  LYS  29           HZ3      LYS  29  15.617  -4.050   3.661
  227    H    LYS  30           H        LYS  30  12.798   0.399   1.224
  228    HA   LYS  30           HA       LYS  30  10.539   1.194  -0.326
  229    HB2  LYS  30           HB2      LYS  30  11.173   3.462   0.438
  230    HB3  LYS  30           HB3      LYS  30  11.135   2.256   1.740
  231    HG2  LYS  30           HG2      LYS  30  13.751   2.047   1.078
  232    HG3  LYS  30           HG3      LYS  30  13.472   3.725   0.585
  233    HD2  LYS  30           HD2      LYS  30  12.837   2.460   3.281
  234    HD3  LYS  30           HD3      LYS  30  14.206   3.537   2.964
  235    HE2  LYS  30           HE2      LYS  30  11.257   4.302   2.725
  236    HE3  LYS  30           HE3      LYS  30  12.318   4.715   4.074
  237    HZ1  LYS  30           HZ1      LYS  30  12.716   5.573   1.287
  238    HZ2  LYS  30           HZ2      LYS  30  12.133   6.502   2.510
  239    HZ3  LYS  30           HZ3      LYS  30  13.687   5.959   2.560
  240    H    SER  31           H        SER  31  13.667   0.506  -1.345
  241    HA   SER  31           HA       SER  31  13.539   2.356  -3.658
  242    HB2  SER  31           HB2      SER  31  15.701   0.394  -2.802
  243    HB3  SER  31           HB3      SER  31  15.813   1.574  -4.123
  244    HG   SER  31           HG       SER  31  16.737   2.336  -2.155
  245    H    ASP  32           H        ASP  32  12.228  -0.574  -2.809
  246    HA   ASP  32           HA       ASP  32  12.423  -1.699  -5.567
  247    HB2  ASP  32           HB2      ASP  32  12.090  -2.964  -2.820
  248    HB3  ASP  32           HB3      ASP  32  11.804  -3.841  -4.318
  249    H    VAL  33           H        VAL  33  10.304  -0.822  -2.822
  250    HA   VAL  33           HA       VAL  33   7.874  -1.839  -3.922
  251    HB   VAL  33           HB       VAL  33   8.445   0.486  -2.044
  252   HG11  VAL  33          HG11      VAL  33   5.814  -0.952  -2.600
  253   HG12  VAL  33          HG12      VAL  33   6.091   0.278  -1.353
  254   HG13  VAL  33          HG13      VAL  33   6.208   0.720  -3.073
  255   HG21  VAL  33          HG21      VAL  33   9.164  -1.730  -1.203
  256   HG22  VAL  33          HG22      VAL  33   7.729  -1.155  -0.316
  257   HG23  VAL  33          HG23      VAL  33   7.557  -2.394  -1.573
  258    H    GLU  34           H        GLU  34   9.749   1.125  -4.487
  259    HA   GLU  34           HA       GLU  34   7.661   2.354  -6.093
  260    HB2  GLU  34           HB2      GLU  34   9.296   4.079  -6.542
  261    HB3  GLU  34           HB3      GLU  34   9.219   3.721  -4.805
  262    HG2  GLU  34           HG2      GLU  34  11.245   2.342  -4.968
  263    HG3  GLU  34           HG3      GLU  34  11.318   2.615  -6.716
  264    H    ALA  35           H        ALA  35   9.319  -0.346  -6.733
  265    HA   ALA  35           HA       ALA  35   9.423   0.254  -9.650
  266    HB1  ALA  35           HB1      ALA  35  11.267  -1.574  -8.058
  267    HB2  ALA  35           HB2      ALA  35  11.303  -1.321  -9.815
  268    HB3  ALA  35           HB3      ALA  35  11.694   0.025  -8.716
  269    H    ILE  36           H        ILE  36   7.964  -1.501  -7.151
  270    HA   ILE  36           HA       ILE  36   7.126  -3.682  -9.016
  271    HB   ILE  36           HB       ILE  36   7.126  -3.498  -5.979
  272   HG12  ILE  36          HG12      ILE  36   8.700  -5.381  -7.777
  273   HG13  ILE  36          HG11      ILE  36   9.341  -3.821  -7.253
  274   HG21  ILE  36          HG21      ILE  36   6.261  -5.764  -7.832
  275   HG22  ILE  36          HG22      ILE  36   6.419  -5.890  -6.063
  276   HG23  ILE  36          HG23      ILE  36   5.201  -4.818  -6.769
  277   HD11  ILE  36          HD11      ILE  36  10.141  -5.557  -5.749
  278   HD12  ILE  36          HD12      ILE  36   9.037  -4.479  -4.874
  279   HD13  ILE  36          HD13      ILE  36   8.482  -6.086  -5.412
  280    H    PHE  37           H        PHE  37   6.036  -0.966  -7.027
  281    HA   PHE  37           HA       PHE  37   3.215  -1.642  -7.658
  282    HB2  PHE  37           HB2      PHE  37   4.507   0.194  -5.626
  283    HB3  PHE  37           HB3      PHE  37   2.781   0.193  -5.968
  284    HD1  PHE  37           HD1      PHE  37   5.564  -1.972  -4.774
  285    HD2  PHE  37           HD2      PHE  37   1.318  -1.393  -5.025
  286    HE1  PHE  37           HE1      PHE  37   5.214  -3.882  -3.216
  287    HE2  PHE  37           HE2      PHE  37   0.964  -3.286  -3.453
  288    HZ   PHE  37           HZ       PHE  37   2.914  -4.529  -2.551
  289    H    SER  38           H        SER  38   5.788   0.204  -8.863
  290    HA   SER  38           HA       SER  38   4.346   2.599  -9.604
  291    HB2  SER  38           HB2      SER  38   6.335   2.985 -11.040
  292    HB3  SER  38           HB3      SER  38   6.766   2.591  -9.360
  293    HG   SER  38           HG       SER  38   7.994   1.409 -10.902
  294    H    LYS  39           H        LYS  39   4.353  -0.612 -10.811
  295    HA   LYS  39           HA       LYS  39   3.695   0.083 -13.570
  296    HB2  LYS  39           HB2      LYS  39   3.538  -2.327 -13.866
  297    HB3  LYS  39           HB3      LYS  39   5.000  -1.903 -12.953
  298    HG2  LYS  39           HG2      LYS  39   3.544  -2.306 -10.831
  299    HG3  LYS  39           HG3      LYS  39   2.417  -3.123 -11.929
  300    HD2  LYS  39           HD2      LYS  39   5.362  -3.789 -11.552
  301    HD3  LYS  39           HD3      LYS  39   3.998  -4.703 -10.867
  302    HE2  LYS  39           HE2      LYS  39   3.176  -5.170 -13.165
  303    HE3  LYS  39           HE3      LYS  39   4.568  -4.304 -13.836
  304    HZ1  LYS  39           HZ1      LYS  39   6.005  -5.912 -12.783
  305    HZ2  LYS  39           HZ2      LYS  39   4.712  -6.709 -12.144
  306    HZ3  LYS  39           HZ3      LYS  39   4.933  -6.678 -13.768
  307    H    TYR  40           H        TYR  40   1.928  -0.037 -10.631
  308    HA   TYR  40           HA       TYR  40  -0.631  -0.487 -12.099
  309    HB2  TYR  40           HB2      TYR  40  -0.073  -0.466  -9.125
  310    HB3  TYR  40           HB3      TYR  40  -1.613  -0.852  -9.906
  311    HD1  TYR  40           HD1      TYR  40  -1.701  -2.848 -11.518
  312    HD2  TYR  40           HD2      TYR  40   1.531  -2.163  -8.769
  313    HE1  TYR  40           HE1      TYR  40  -0.980  -5.211 -11.785
  314    HE2  TYR  40           HE2      TYR  40   2.281  -4.509  -9.049
  315    HH   TYR  40           HH       TYR  40   0.554  -6.805 -11.201
  316    H    GLY  41           H        GLY  41   1.353   1.969 -10.671
  317    HA2  GLY  41           HA2      GLY  41  -0.323   4.004 -11.743
  318    HA3  GLY  41           HA3      GLY  41  -0.561   3.924  -9.987
  319    H    LYS  42           H        LYS  42   0.487   6.185 -11.335
  320    HA   LYS  42           HA       LYS  42   3.364   6.271 -11.119
  321    HB2  LYS  42           HB2      LYS  42   2.215   7.766 -12.613
  322    HB3  LYS  42           HB3      LYS  42   1.158   8.356 -11.316
  323    HG2  LYS  42           HG2      LYS  42   3.062   9.387 -10.172
  324    HG3  LYS  42           HG3      LYS  42   4.180   8.754 -11.400
  325    HD2  LYS  42           HD2      LYS  42   3.166  10.120 -13.120
  326    HD3  LYS  42           HD3      LYS  42   1.803  10.554 -12.059
  327    HE2  LYS  42           HE2      LYS  42   3.312  11.732 -10.544
  328    HE3  LYS  42           HE3      LYS  42   4.713  11.272 -11.536
  329    HZ1  LYS  42           HZ1      LYS  42   3.961  13.497 -12.032
  330    HZ2  LYS  42           HZ2      LYS  42   3.768  12.526 -13.343
  331    HZ3  LYS  42           HZ3      LYS  42   2.466  12.956 -12.432
  332    H    ILE  43           H        ILE  43   4.440   6.125  -9.257
  333    HA   ILE  43           HA       ILE  43   3.058   6.650  -6.734
  334    HB   ILE  43           HB       ILE  43   5.843   5.633  -7.398
  335   HG12  ILE  43          HG12      ILE  43   3.315   4.294  -6.336
  336   HG13  ILE  43          HG11      ILE  43   3.922   4.161  -7.995
  337   HG21  ILE  43          HG21      ILE  43   4.422   5.769  -4.703
  338   HG22  ILE  43          HG22      ILE  43   6.022   5.051  -5.012
  339   HG23  ILE  43          HG23      ILE  43   5.798   6.794  -5.187
  340   HD11  ILE  43          HD11      ILE  43   5.332   3.144  -5.494
  341   HD12  ILE  43          HD12      ILE  43   4.513   2.172  -6.723
  342   HD13  ILE  43          HD13      ILE  43   5.982   3.081  -7.155
  343    H    VAL  44           H        VAL  44   3.180   8.435  -5.559
  344    HA   VAL  44           HA       VAL  44   5.152  10.533  -6.348
  345    HB   VAL  44           HB       VAL  44   3.557  12.156  -5.445
  346   HG11  VAL  44          HG11      VAL  44   2.272  10.259  -7.449
  347   HG12  VAL  44          HG12      VAL  44   1.862  11.968  -7.205
  348   HG13  VAL  44          HG13      VAL  44   3.466  11.526  -7.831
  349   HG21  VAL  44          HG21      VAL  44   1.695   9.767  -5.059
  350   HG22  VAL  44          HG22      VAL  44   2.446  10.717  -3.760
  351   HG23  VAL  44          HG23      VAL  44   1.264  11.477  -4.845
  352    H    GLY  45           H        GLY  45   4.520   8.227  -4.015
  353    HA2  GLY  45           HA2      GLY  45   6.583   9.240  -2.281
  354    HA3  GLY  45           HA3      GLY  45   4.975   9.350  -1.531
  355    H    CYS  46           H        CYS  46   7.394   7.574  -0.975
  356    HA   CYS  46           HA       CYS  46   5.896   5.051  -0.794
  357    HB2  CYS  46           HB2      CYS  46   7.687   3.743  -1.833
  358    HB3  CYS  46           HB3      CYS  46   7.095   4.967  -2.990
  359    HG   CYS  46           HG       CYS  46   9.675   5.206  -0.942
  360    H    SER  47           H        SER  47   6.582   3.737   0.920
  361    HA   SER  47           HA       SER  47   9.068   4.372   2.317
  362    HB2  SER  47           HB2      SER  47   7.482   6.071   3.202
  363    HB3  SER  47           HB3      SER  47   6.398   4.759   3.720
  364    HG   SER  47           HG       SER  47   7.891   5.528   5.352
  365    H    VAL  48           H        VAL  48   9.723   2.702   3.675
  366    HA   VAL  48           HA       VAL  48   7.888   0.365   3.916
  367    HB   VAL  48           HB       VAL  48  10.858   0.342   3.280
  368   HG11  VAL  48          HG11      VAL  48  10.388  -1.464   4.864
  369   HG12  VAL  48          HG12      VAL  48   8.960  -1.956   3.913
  370   HG13  VAL  48          HG13      VAL  48  10.594  -2.133   3.239
  371   HG21  VAL  48          HG21      VAL  48   9.369   0.738   1.346
  372   HG22  VAL  48          HG22      VAL  48  10.069  -0.902   1.271
  373   HG23  VAL  48          HG23      VAL  48   8.389  -0.670   1.806
  374    H    HIS  49           H        HIS  49   8.028  -0.803   5.793
  375    HA   HIS  49           HA       HIS  49   9.560   0.353   8.073
  376    HB2  HIS  49           HB2      HIS  49   6.612  -0.402   8.044
  377    HB3  HIS  49           HB3      HIS  49   7.518   0.261   9.409
  378    HD2  HIS  49           HD2      HIS  49   6.112   1.314   5.937
  379    HE1  HIS  49           HE1      HIS  49   6.879   4.885   8.106
  380    HE2  HIS  49           HE2      HIS  49   5.885   3.919   5.975
  381    H    LYS  50           H        LYS  50   8.606  -1.410  10.018
  382    HA   LYS  50           HA       LYS  50   9.769  -3.911   8.980
  383    HB2  LYS  50           HB2      LYS  50  10.511  -2.797  11.134
  384    HB3  LYS  50           HB3      LYS  50   8.952  -3.298  11.832
  385    HG2  LYS  50           HG2      LYS  50   9.467  -5.653  11.197
  386    HG3  LYS  50           HG3      LYS  50  11.013  -5.104  10.506
  387    HD2  LYS  50           HD2      LYS  50  11.738  -4.316  12.742
  388    HD3  LYS  50           HD3      LYS  50  10.175  -4.808  13.423
  389    HE2  LYS  50           HE2      LYS  50  11.787  -6.542  13.908
  390    HE3  LYS  50           HE3      LYS  50  10.643  -7.155  12.703
  391    HZ1  LYS  50           HZ1      LYS  50  12.279  -6.662  11.008
  392    HZ2  LYS  50           HZ2      LYS  50  13.341  -6.110  12.137
  393    HZ3  LYS  50           HZ3      LYS  50  12.903  -7.690  12.127
  394    H    GLY  51           H        GLY  51   8.513  -5.441   8.163
  395    HA2  GLY  51           HA2      GLY  51   6.840  -7.027   8.110
  396    HA3  GLY  51           HA3      GLY  51   6.085  -6.280   9.523
  397    H    PHE  52           H        PHE  52   6.440  -3.664   7.546
  398    HA   PHE  52           HA       PHE  52   4.294  -4.250   5.646
  399    HB2  PHE  52           HB2      PHE  52   2.776  -2.558   6.459
  400    HB3  PHE  52           HB3      PHE  52   3.012  -3.812   7.668
  401    HD1  PHE  52           HD1      PHE  52   4.366  -3.334   9.721
  402    HD2  PHE  52           HD2      PHE  52   3.418  -0.274   6.847
  403    HE1  PHE  52           HE1      PHE  52   4.951  -1.587  11.384
  404    HE2  PHE  52           HE2      PHE  52   4.024   1.465   8.499
  405    HZ   PHE  52           HZ       PHE  52   4.787   0.810  10.774
  406    H    ALA  53           H        ALA  53   3.710  -2.204   4.401
  407    HA   ALA  53           HA       ALA  53   5.763  -0.092   4.383
  408    HB1  ALA  53           HB1      ALA  53   5.201  -1.910   2.002
  409    HB2  ALA  53           HB2      ALA  53   6.157  -0.411   1.949
  410    HB3  ALA  53           HB3      ALA  53   6.726  -1.786   2.915
  411    H    PHE  54           H        PHE  54   5.158   1.522   2.555
  412    HA   PHE  54           HA       PHE  54   2.234   1.692   2.117
  413    HB2  PHE  54           HB2      PHE  54   3.931   3.544   3.761
  414    HB3  PHE  54           HB3      PHE  54   2.725   4.258   2.703
  415    HD1  PHE  54           HD1      PHE  54   0.323   3.459   2.832
  416    HD2  PHE  54           HD2      PHE  54   3.248   2.652   5.882
  417    HE1  PHE  54           HE1      PHE  54  -1.499   3.024   4.457
  418    HE2  PHE  54           HE2      PHE  54   1.425   2.205   7.504
  419    HZ   PHE  54           HZ       PHE  54  -0.949   2.390   6.785
  420    H    VAL  55           H        VAL  55   1.621   2.886   0.363
  421    HA   VAL  55           HA       VAL  55   3.715   4.117  -1.346
  422    HB   VAL  55           HB       VAL  55   1.622   2.088  -2.236
  423   HG11  VAL  55          HG11      VAL  55   1.831   3.842  -3.933
  424   HG12  VAL  55          HG12      VAL  55   3.609   3.737  -3.849
  425   HG13  VAL  55          HG13      VAL  55   2.655   2.375  -4.485
  426   HG21  VAL  55          HG21      VAL  55   3.631   1.065  -1.233
  427   HG22  VAL  55          HG22      VAL  55   3.622   0.816  -2.990
  428   HG23  VAL  55          HG23      VAL  55   4.667   2.071  -2.273
  429    H    GLN  56           H        GLN  56   2.928   5.790  -2.673
  430    HA   GLN  56           HA       GLN  56   0.147   6.673  -2.100
  431    HB2  GLN  56           HB2      GLN  56   1.923   7.844  -0.708
  432    HB3  GLN  56           HB3      GLN  56   2.657   8.402  -2.213
  433    HG2  GLN  56           HG2      GLN  56   1.328  10.210  -1.516
  434    HG3  GLN  56           HG3      GLN  56   0.352   9.427  -2.767
  435   HE21  GLN  56          HE21      GLN  56  -1.778   9.446  -2.185
  436   HE22  GLN  56          HE22      GLN  56  -2.370   9.215  -0.557
  437    H    TYR  57           H        TYR  57  -0.969   7.221  -3.913
  438    HA   TYR  57           HA       TYR  57   0.550   7.425  -6.471
  439    HB2  TYR  57           HB2      TYR  57  -2.287   6.510  -5.914
  440    HB3  TYR  57           HB3      TYR  57  -1.576   6.718  -7.517
  441    HD1  TYR  57           HD1      TYR  57   0.893   5.528  -7.671
  442    HD2  TYR  57           HD2      TYR  57  -2.435   4.253  -5.244
  443    HE1  TYR  57           HE1      TYR  57   1.813   3.224  -7.615
  444    HE2  TYR  57           HE2      TYR  57  -1.497   1.969  -5.175
  445    HH   TYR  57           HH       TYR  57   0.209   0.602  -5.789
  446    H    VAL  58           H        VAL  58  -0.931   8.615  -8.177
  447    HA   VAL  58           HA       VAL  58  -1.254  11.327  -7.246
  448    HB   VAL  58           HB       VAL  58  -1.855   9.895  -9.865
  449   HG11  VAL  58          HG11      VAL  58  -3.396  11.788  -9.693
  450   HG12  VAL  58          HG12      VAL  58  -2.069  12.860  -9.193
  451   HG13  VAL  58          HG13      VAL  58  -2.102  12.176 -10.839
  452   HG21  VAL  58          HG21      VAL  58   0.534  10.147  -9.285
  453   HG22  VAL  58          HG22      VAL  58   0.094  11.190 -10.649
  454   HG23  VAL  58          HG23      VAL  58   0.293  11.887  -9.024
  455    H    ASN  59           H        ASN  59  -3.458   8.570  -7.825
  456    HA   ASN  59           HA       ASN  59  -5.503  10.072  -6.391
  457    HB2  ASN  59           HB2      ASN  59  -7.078  10.326  -8.016
  458    HB3  ASN  59           HB3      ASN  59  -5.610  10.625  -8.958
  459   HD21  ASN  59          HD21      ASN  59  -4.666   8.279  -9.803
  460   HD22  ASN  59          HD22      ASN  59  -5.893   7.348 -10.620
  461    H    GLU  60           H        GLU  60  -7.554   8.789  -6.139
  462    HA   GLU  60           HA       GLU  60  -6.981   6.367  -4.823
  463    HB2  GLU  60           HB2      GLU  60  -8.849   7.838  -4.307
  464    HB3  GLU  60           HB3      GLU  60  -9.551   7.554  -5.913
  465    HG2  GLU  60           HG2      GLU  60  -9.884   5.167  -5.343
  466    HG3  GLU  60           HG3      GLU  60  -9.154   5.444  -3.754
  467    H    ARG  61           H        ARG  61  -7.930   6.925  -8.239
  468    HA   ARG  61           HA       ARG  61  -8.798   4.271  -8.776
  469    HB2  ARG  61           HB2      ARG  61  -9.236   6.038 -10.349
  470    HB3  ARG  61           HB3      ARG  61  -7.512   6.420 -10.493
  471    HG2  ARG  61           HG2      ARG  61  -8.369   5.192 -12.460
  472    HG3  ARG  61           HG3      ARG  61  -7.042   4.365 -11.633
  473    HD2  ARG  61           HD2      ARG  61  -8.762   2.765 -12.250
  474    HD3  ARG  61           HD3      ARG  61  -8.666   2.907 -10.482
  475    HE   ARG  61           HE       ARG  61 -10.647   4.717 -11.496
  476   HH11  ARG  61          HH11      ARG  61 -10.099   1.266 -10.978
  477   HH12  ARG  61          HH12      ARG  61 -11.801   0.903 -10.791
  478   HH21  ARG  61          HH21      ARG  61 -12.858   4.220 -11.237
  479   HH22  ARG  61          HH22      ARG  61 -13.357   2.571 -10.951
  480    H    ASN  62           H        ASN  62  -5.542   5.747  -8.725
  481    HA   ASN  62           HA       ASN  62  -4.238   3.399  -9.787
  482    HB2  ASN  62           HB2      ASN  62  -3.339   5.859  -8.264
  483    HB3  ASN  62           HB3      ASN  62  -2.208   4.562  -8.734
  484   HD21  ASN  62          HD21      ASN  62  -2.791   3.826 -11.194
  485   HD22  ASN  62          HD22      ASN  62  -2.802   5.170 -12.323
  486    H    ALA  63           H        ALA  63  -5.357   4.339  -6.593
  487    HA   ALA  63           HA       ALA  63  -3.729   2.401  -5.170
  488    HB1  ALA  63           HB1      ALA  63  -4.653   4.424  -4.077
  489    HB2  ALA  63           HB2      ALA  63  -6.301   3.812  -4.347
  490    HB3  ALA  63           HB3      ALA  63  -5.201   2.938  -3.268
  491    H    ARG  64           H        ARG  64  -6.986   2.431  -6.607
  492    HA   ARG  64           HA       ARG  64  -7.763  -0.137  -5.532
  493    HB2  ARG  64           HB2      ARG  64  -8.733   1.286  -8.047
  494    HB3  ARG  64           HB3      ARG  64  -9.540  -0.062  -7.240
  495    HG2  ARG  64           HG2      ARG  64  -9.088   2.711  -6.071
  496    HG3  ARG  64           HG3      ARG  64 -10.614   2.079  -6.703
  497    HD2  ARG  64           HD2      ARG  64 -10.637   0.349  -4.949
  498    HD3  ARG  64           HD3      ARG  64  -9.096   0.967  -4.308
  499    HE   ARG  64           HE       ARG  64 -10.855   3.153  -4.423
  500   HH11  ARG  64          HH11      ARG  64 -10.665   0.062  -2.697
  501   HH12  ARG  64          HH12      ARG  64 -11.531   0.694  -1.305
  502   HH21  ARG  64          HH21      ARG  64 -11.961   3.893  -2.600
  503   HH22  ARG  64          HH22      ARG  64 -12.265   2.802  -1.254
  504    H    ALA  65           H        ALA  65  -5.804   0.879  -8.275
  505    HA   ALA  65           HA       ALA  65  -6.015  -1.671  -9.651
  506    HB1  ALA  65           HB1      ALA  65  -4.062   0.642  -9.985
  507    HB2  ALA  65           HB2      ALA  65  -4.302  -0.699 -11.123
  508    HB3  ALA  65           HB3      ALA  65  -5.618   0.459 -10.826
  509    H    ALA  66           H        ALA  66  -3.768  -0.191  -7.283
  510    HA   ALA  66           HA       ALA  66  -1.867  -2.395  -7.569
  511    HB1  ALA  66           HB1      ALA  66  -0.676  -1.199  -5.796
  512    HB2  ALA  66           HB2      ALA  66  -1.167  -0.093  -7.108
  513    HB3  ALA  66           HB3      ALA  66  -2.073  -0.112  -5.575
  514    H    VAL  67           H        VAL  67  -4.460  -1.420  -5.292
  515    HA   VAL  67           HA       VAL  67  -3.958  -3.470  -3.353
  516    HB   VAL  67           HB       VAL  67  -6.431  -1.909  -4.168
  517   HG11  VAL  67          HG11      VAL  67  -6.071  -3.792  -1.797
  518   HG12  VAL  67          HG12      VAL  67  -7.423  -2.656  -2.006
  519   HG13  VAL  67          HG13      VAL  67  -7.215  -3.993  -3.149
  520   HG21  VAL  67          HG21      VAL  67  -4.485  -0.701  -3.062
  521   HG22  VAL  67          HG22      VAL  67  -5.997  -0.657  -2.120
  522   HG23  VAL  67          HG23      VAL  67  -4.688  -1.776  -1.666
  523    H    ALA  68           H        ALA  68  -5.655  -3.445  -6.481
  524    HA   ALA  68           HA       ALA  68  -6.523  -6.239  -6.018
  525    HB1  ALA  68           HB1      ALA  68  -7.020  -4.368  -8.364
  526    HB2  ALA  68           HB2      ALA  68  -7.786  -5.948  -8.102
  527    HB3  ALA  68           HB3      ALA  68  -8.114  -4.607  -6.984
  528    H    GLY  69           H        GLY  69  -3.778  -4.636  -7.272
  529    HA2  GLY  69           HA2      GLY  69  -3.235  -6.776  -9.260
  530    HA3  GLY  69           HA3      GLY  69  -2.418  -5.215  -9.120
  531    H    GLU  70           H        GLU  70  -2.403  -5.988  -5.984
  532    HA   GLU  70           HA       GLU  70   0.035  -7.730  -6.174
  533    HB2  GLU  70           HB2      GLU  70  -0.280  -5.009  -4.898
  534    HB3  GLU  70           HB3      GLU  70   0.990  -6.148  -4.410
  535    HG2  GLU  70           HG2      GLU  70   0.603  -5.316  -7.300
  536    HG3  GLU  70           HG3      GLU  70   1.617  -4.413  -6.172
  537    H    ASP  71           H        ASP  71  -2.904  -6.830  -4.407
  538    HA   ASP  71           HA       ASP  71  -2.170  -7.963  -1.896
  539    HB2  ASP  71           HB2      ASP  71  -4.185  -6.596  -2.196
  540    HB3  ASP  71           HB3      ASP  71  -4.865  -7.813  -3.293
  541    H    GLY  72           H        GLY  72  -1.491  -9.985  -1.496
  542    HA2  GLY  72           HA2      GLY  72  -1.751 -12.305  -1.351
  543    HA3  GLY  72           HA3      GLY  72  -3.011 -12.251  -2.603
  544    H    ARG  73           H        ARG  73  -0.286 -10.396  -3.518
  545    HA   ARG  73           HA       ARG  73   0.686 -12.424  -5.363
  546    HB2  ARG  73           HB2      ARG  73   2.078 -10.747  -6.222
  547    HB3  ARG  73           HB3      ARG  73   0.586  -9.910  -5.771
  548    HG2  ARG  73           HG2      ARG  73   1.942  -8.468  -4.666
  549    HG3  ARG  73           HG3      ARG  73   2.058  -9.736  -3.433
  550    HD2  ARG  73           HD2      ARG  73   4.293  -9.029  -4.033
  551    HD3  ARG  73           HD3      ARG  73   4.056 -10.647  -4.719
  552    HE   ARG  73           HE       ARG  73   3.509  -8.246  -6.383
  553   HH11  ARG  73          HH11      ARG  73   5.558 -11.110  -5.850
  554   HH12  ARG  73          HH12      ARG  73   6.301 -10.970  -7.422
  555   HH21  ARG  73          HH21      ARG  73   4.496  -8.128  -8.372
  556   HH22  ARG  73          HH22      ARG  73   5.720  -9.288  -8.848
  557    H    MET  74           H        MET  74   3.222 -12.827  -5.250
  558    HA   MET  74           HA       MET  74   3.812 -13.432  -2.380
  559    HB2  MET  74           HB2      MET  74   3.251 -15.381  -3.810
  560    HB3  MET  74           HB3      MET  74   4.665 -15.026  -4.818
  561    HG2  MET  74           HG2      MET  74   6.177 -15.449  -3.041
  562    HG3  MET  74           HG3      MET  74   4.916 -15.305  -1.815
  563    HE1  MET  74           HE1      MET  74   2.892 -18.552  -2.008
  564    HE2  MET  74           HE2      MET  74   3.259 -17.067  -1.097
  565    HE3  MET  74           HE3      MET  74   2.525 -16.958  -2.707
  566    H    ILE  75           H        ILE  75   5.444 -12.363  -1.555
  567    HA   ILE  75           HA       ILE  75   7.670 -11.594  -3.362
  568    HB   ILE  75           HB       ILE  75   5.805  -9.867  -1.949
  569   HG12  ILE  75          HG12      ILE  75   8.165  -9.390  -3.809
  570   HG13  ILE  75          HG11      ILE  75   6.504  -9.759  -4.301
  571   HG21  ILE  75          HG21      ILE  75   8.745  -9.444  -1.300
  572   HG22  ILE  75          HG22      ILE  75   7.409  -8.313  -0.945
  573   HG23  ILE  75          HG23      ILE  75   7.460  -9.876  -0.134
  574   HD11  ILE  75          HD11      ILE  75   5.728  -7.639  -3.254
  575   HD12  ILE  75          HD12      ILE  75   7.404  -7.271  -2.780
  576   HD13  ILE  75          HD13      ILE  75   6.958  -7.355  -4.496
  577    H    ALA  76           H        ALA  76   9.679 -11.894  -2.595
  578    HA   ALA  76           HA       ALA  76  11.264 -12.991  -1.433
  579    HB1  ALA  76           HB1      ALA  76   9.821 -11.936   1.011
  580    HB2  ALA  76           HB2      ALA  76  11.524 -12.432   0.899
  581    HB3  ALA  76           HB3      ALA  76  10.952 -10.993   0.010
  582    H    GLY  77           H        GLY  77   8.536 -14.351  -1.909
  583    HA2  GLY  77           HA2      GLY  77   8.051 -16.624  -1.761
  584    HA3  GLY  77           HA3      GLY  77   9.196 -16.783  -0.401
  585    H    GLN  78           H        GLN  78   7.251 -14.074   0.179
  586    HA   GLN  78           HA       GLN  78   5.274 -15.673   1.729
  587    HB2  GLN  78           HB2      GLN  78   6.986 -14.896   3.211
  588    HB3  GLN  78           HB3      GLN  78   6.961 -13.286   2.495
  589    HG2  GLN  78           HG2      GLN  78   4.298 -13.891   3.430
  590    HG3  GLN  78           HG3      GLN  78   5.464 -14.240   4.722
  591   HE21  GLN  78          HE21      GLN  78   5.133 -11.787   2.088
  592   HE22  GLN  78          HE22      GLN  78   5.368 -10.398   3.135
  593    H    VAL  79           H        VAL  79   3.220 -15.138   1.472
  594    HA   VAL  79           HA       VAL  79   2.333 -13.424  -0.631
  595    HB   VAL  79           HB       VAL  79   0.824 -14.582   1.748
  596   HG11  VAL  79          HG11      VAL  79  -0.114 -13.645  -0.991
  597   HG12  VAL  79          HG12      VAL  79  -1.133 -14.457   0.219
  598   HG13  VAL  79          HG13      VAL  79  -0.466 -12.851   0.568
  599   HG21  VAL  79          HG21      VAL  79   1.969 -16.359   0.498
  600   HG22  VAL  79          HG22      VAL  79   0.230 -16.407   0.169
  601   HG23  VAL  79          HG23      VAL  79   1.333 -15.707  -1.038
  602    H    LEU  80           H        LEU  80   1.526 -11.371  -0.655
  603    HA   LEU  80           HA       LEU  80   1.924  -9.771   1.815
  604    HB2  LEU  80           HB2      LEU  80   1.265  -8.813  -0.991
  605    HB3  LEU  80           HB3      LEU  80   1.735  -7.831   0.392
  606    HG   LEU  80           HG       LEU  80   3.474  -9.839  -1.103
  607   HD11  LEU  80          HD11      LEU  80   3.570  -6.829  -0.633
  608   HD12  LEU  80          HD12      LEU  80   4.851  -7.771  -1.422
  609   HD13  LEU  80          HD13      LEU  80   3.234  -7.658  -2.170
  610   HD21  LEU  80          HD21      LEU  80   5.270  -9.159   0.467
  611   HD22  LEU  80          HD22      LEU  80   4.073  -8.252   1.428
  612   HD23  LEU  80          HD23      LEU  80   3.969 -10.029   1.297
  613    H    ASP  81           H        ASP  81   0.342  -8.286   2.562
  614    HA   ASP  81           HA       ASP  81  -2.466  -8.897   1.757
  615    HB2  ASP  81           HB2      ASP  81  -1.246  -8.595   4.512
  616    HB3  ASP  81           HB3      ASP  81  -2.979  -8.374   4.218
  617    H    ILE  82           H        ILE  82  -2.907  -7.187   0.523
  618    HA   ILE  82           HA       ILE  82  -1.899  -4.498   1.346
  619    HB   ILE  82           HB       ILE  82  -2.332  -5.782  -1.346
  620   HG12  ILE  82          HG12      ILE  82   0.134  -4.484  -0.145
  621   HG13  ILE  82          HG11      ILE  82  -0.244  -6.182   0.191
  622   HG21  ILE  82          HG21      ILE  82  -1.511  -2.912  -0.722
  623   HG22  ILE  82          HG22      ILE  82  -1.575  -3.658  -2.331
  624   HG23  ILE  82          HG23      ILE  82  -3.075  -3.403  -1.419
  625   HD11  ILE  82          HD11      ILE  82   0.100  -5.028  -2.586
  626   HD12  ILE  82          HD12      ILE  82   1.323  -5.965  -1.681
  627   HD13  ILE  82          HD13      ILE  82  -0.209  -6.737  -2.144
  628    H    ASN  83           H        ASN  83  -3.327  -2.760   1.348
  629    HA   ASN  83           HA       ASN  83  -6.133  -3.159   0.531
  630    HB2  ASN  83           HB2      ASN  83  -5.828  -4.201   2.827
  631    HB3  ASN  83           HB3      ASN  83  -5.425  -2.592   3.429
  632   HD21  ASN  83          HD21      ASN  83  -7.111  -1.031   3.650
  633   HD22  ASN  83          HD22      ASN  83  -8.796  -1.478   3.479
  634    H    LEU  84           H        LEU  84  -7.354  -1.148   0.530
  635    HA   LEU  84           HA       LEU  84  -5.945   1.225  -0.019
  636    HB2  LEU  84           HB2      LEU  84  -8.344   0.373  -0.553
  637    HB3  LEU  84           HB3      LEU  84  -8.787   0.980   1.036
  638    HG   LEU  84           HG       LEU  84  -9.370   2.502  -0.778
  639   HD11  LEU  84          HD11      LEU  84  -7.106   3.748   0.828
  640   HD12  LEU  84          HD12      LEU  84  -8.484   4.568   0.075
  641   HD13  LEU  84          HD13      LEU  84  -8.767   3.464   1.438
  642   HD21  LEU  84          HD21      LEU  84  -7.531   1.866  -2.327
  643   HD22  LEU  84          HD22      LEU  84  -7.717   3.619  -2.147
  644   HD23  LEU  84          HD23      LEU  84  -6.390   2.787  -1.311
  645    H    ALA  85           H        ALA  85  -5.109   2.799   1.343
  646    HA   ALA  85           HA       ALA  85  -4.643   2.129   4.038
  647    HB1  ALA  85           HB1      ALA  85  -4.401   4.852   2.705
  648    HB2  ALA  85           HB2      ALA  85  -3.557   4.309   4.163
  649    HB3  ALA  85           HB3      ALA  85  -3.187   3.548   2.597
  650    H    ALA  86           H        ALA  86  -7.586   3.289   2.883
  651    HA   ALA  86           HA       ALA  86  -8.159   4.591   5.504
  652    HB1  ALA  86           HB1      ALA  86  -9.213   5.441   2.786
  653    HB2  ALA  86           HB2      ALA  86  -9.535   6.223   4.352
  654    HB3  ALA  86           HB3      ALA  86  -7.884   6.229   3.675
  655    H    GLU  87           H        GLU  87  -8.737   1.844   3.868
  656    HA   GLU  87           HA       GLU  87 -11.476   1.636   4.978
  657    HB2  GLU  87           HB2      GLU  87 -10.699   0.794   2.153
  658    HB3  GLU  87           HB3      GLU  87 -12.247   0.464   2.948
  659    HG2  GLU  87           HG2      GLU  87 -12.607   2.925   3.205
  660    HG3  GLU  87           HG3      GLU  87 -11.126   3.212   2.275
  661    HA   PRO  88           HA       PRO  88  -8.666  -2.041   5.841
  662    HB2  PRO  88           HB2      PRO  88  -8.720  -1.920   8.575
  663    HB3  PRO  88           HB3      PRO  88  -7.508  -1.050   7.587
  664    HG2  PRO  88           HG2      PRO  88 -10.103   0.039   8.720
  665    HG3  PRO  88           HG3      PRO  88  -8.463   0.769   8.822
  666    HD2  PRO  88           HD2      PRO  88 -10.226   1.578   6.932
  667    HD3  PRO  88           HD3      PRO  88  -8.497   1.372   6.523
  668    H    LYS  89           H        LYS  89  -9.434  -4.025   6.796
  669    HA   LYS  89           HA       LYS  89 -12.343  -4.097   7.329
  670    HB2  LYS  89           HB2      LYS  89 -12.482  -5.946   5.556
  671    HB3  LYS  89           HB3      LYS  89 -12.442  -4.263   5.036
  672    HG2  LYS  89           HG2      LYS  89 -10.077  -4.419   4.418
  673    HG3  LYS  89           HG3      LYS  89  -9.971  -6.061   5.061
  674    HD2  LYS  89           HD2      LYS  89 -10.188  -6.105   2.635
  675    HD3  LYS  89           HD3      LYS  89 -11.619  -6.829   3.398
  676    HE2  LYS  89           HE2      LYS  89 -12.860  -4.712   3.081
  677    HE3  LYS  89           HE3      LYS  89 -11.424  -3.957   2.373
  678    HZ1  LYS  89           HZ1      LYS  89 -11.525  -5.575   0.602
  679    HZ2  LYS  89           HZ2      LYS  89 -12.848  -6.287   1.268
  680    HZ3  LYS  89           HZ3      LYS  89 -12.942  -4.748   0.695
  681    H    VAL  90           H        VAL  90 -10.724  -6.954   6.298
  682    HA   VAL  90           HA       VAL  90 -10.460  -7.903   9.126
  683    HB   VAL  90           HB       VAL  90 -11.186 -10.129   8.151
  684   HG11  VAL  90          HG11      VAL  90 -13.597  -9.594   8.367
  685   HG12  VAL  90          HG12      VAL  90 -12.648  -8.728   9.595
  686   HG13  VAL  90          HG13      VAL  90 -13.242  -7.867   8.156
  687   HG21  VAL  90          HG21      VAL  90 -10.949  -9.558   5.755
  688   HG22  VAL  90          HG22      VAL  90 -12.587 -10.119   6.147
  689   HG23  VAL  90          HG23      VAL  90 -12.285  -8.388   5.905
  690    H    ASN  91           H        ASN  91  -9.085  -7.551   6.014
  691    HA   ASN  91           HA       ASN  91  -7.269  -9.811   6.247
  692    HB2  ASN  91           HB2      ASN  91  -7.256  -7.525   4.248
  693    HB3  ASN  91           HB3      ASN  91  -6.431  -9.091   4.088
  694   HD21  ASN  91          HD21      ASN  91  -8.146 -11.024   4.567
  695   HD22  ASN  91          HD22      ASN  91  -9.597 -10.896   3.591
  696    H    ARG  92           H        ARG  92  -7.307  -7.160   8.058
  697    HA   ARG  92           HA       ARG  92  -4.455  -6.497   7.827
  698    HB2  ARG  92           HB2      ARG  92  -6.155  -4.742   8.335
  699    HB3  ARG  92           HB3      ARG  92  -6.447  -5.522   9.903
  700    HG2  ARG  92           HG2      ARG  92  -4.038  -5.240  10.475
  701    HG3  ARG  92           HG3      ARG  92  -3.755  -4.516   8.876
  702    HD2  ARG  92           HD2      ARG  92  -3.926  -2.734  10.490
  703    HD3  ARG  92           HD3      ARG  92  -5.365  -2.693   9.463
  704    HE   ARG  92           HE       ARG  92  -6.695  -3.390  11.269
  705   HH11  ARG  92          HH11      ARG  92  -3.260  -3.330  12.184
  706   HH12  ARG  92          HH12      ARG  92  -3.606  -3.462  13.887
  707   HH21  ARG  92          HH21      ARG  92  -7.086  -3.572  13.510
  708   HH22  ARG  92          HH22      ARG  92  -5.748  -3.594  14.634
  709    H    GLY  93           H        GLY  93  -6.029  -7.023  10.981
  710    HA2  GLY  93           HA2      GLY  93  -5.342  -8.364  12.743
  711    HA3  GLY  93           HA3      GLY  93  -5.046  -9.609  11.505
  712    H    LYS  94           H        LYS  94  -3.222 -10.415  12.466
  713    HA   LYS  94           HA       LYS  94  -0.778  -8.845  11.899
  714    HB2  LYS  94           HB2      LYS  94  -1.510  -8.550  14.301
  715    HB3  LYS  94           HB3      LYS  94  -1.163 -10.286  14.537
  716    HG2  LYS  94           HG2      LYS  94   1.155  -9.947  13.887
  717    HG3  LYS  94           HG3      LYS  94   0.807  -8.267  13.394
  718    HD2  LYS  94           HD2      LYS  94   0.241  -7.699  15.736
  719    HD3  LYS  94           HD3      LYS  94   0.567  -9.375  16.222
  720    HE2  LYS  94           HE2      LYS  94   2.512  -7.995  16.745
  721    HE3  LYS  94           HE3      LYS  94   2.919  -9.128  15.450
  722    HZ1  LYS  94           HZ1      LYS  94   2.572  -7.351  13.875
  723    HZ2  LYS  94           HZ2      LYS  94   2.192  -6.297  15.078
  724    HZ3  LYS  94           HZ3      LYS  94   3.713  -6.918  14.978
  725    H    ALA  95           H        ALA  95  -2.522 -11.850  11.992
  726    HA   ALA  95           HA       ALA  95  -0.232 -13.292  10.843
  727    HB1  ALA  95           HB1      ALA  95  -0.440 -15.118  12.505
  728    HB2  ALA  95           HB2      ALA  95   0.019 -13.595  13.288
  729    HB3  ALA  95           HB3      ALA  95  -1.661 -14.173  13.391
  730    H    GLY  96           H        GLY  96  -1.056 -15.664  10.393
  731    HA2  GLY  96           HA2      GLY  96  -3.378 -15.449   8.712
  732    HA3  GLY  96           HA3      GLY  96  -2.438 -16.917   9.055
  733    H    VAL  97           H        VAL  97  -3.175 -15.853  12.067
  734    HA   VAL  97           HA       VAL  97  -5.763 -17.316  12.127
  735    HB   VAL  97           HB       VAL  97  -3.966 -18.442  13.334
  736   HG11  VAL  97          HG11      VAL  97  -2.966 -17.459  15.348
  737   HG12  VAL  97          HG12      VAL  97  -2.569 -16.490  13.918
  738   HG13  VAL  97          HG13      VAL  97  -3.821 -15.937  15.061
  739   HG21  VAL  97          HG21      VAL  97  -6.307 -18.560  14.169
  740   HG22  VAL  97          HG22      VAL  97  -5.105 -18.723  15.463
  741   HG23  VAL  97          HG23      VAL  97  -5.965 -17.186  15.256
  742    H    LYS  98           H        LYS  98  -7.516 -16.403  13.091
  743    HA   LYS  98           HA       LYS  98  -7.235 -13.539  13.867
  744    HB2  LYS  98           HB2      LYS  98  -9.543 -14.855  12.394
  745    HB3  LYS  98           HB3      LYS  98  -9.425 -13.143  12.822
  746    HG2  LYS  98           HG2      LYS  98  -7.530 -14.612  10.939
  747    HG3  LYS  98           HG3      LYS  98  -8.875 -13.575  10.442
  748    HD2  LYS  98           HD2      LYS  98  -7.815 -11.629  11.526
  749    HD3  LYS  98           HD3      LYS  98  -6.504 -12.658  12.136
  750    HE2  LYS  98           HE2      LYS  98  -5.753 -11.478  10.154
  751    HE3  LYS  98           HE3      LYS  98  -5.845 -13.210   9.823
  752    HZ1  LYS  98           HZ1      LYS  98  -7.981 -12.808   8.760
  753    HZ2  LYS  98           HZ2      LYS  98  -7.852 -11.195   9.038
  754    HZ3  LYS  98           HZ3      LYS  98  -6.784 -11.941   8.037
  755    H    ARG  99           H        ARG  99  -7.450 -16.254  15.378
  756    HA   ARG  99           HA       ARG  99  -9.622 -15.399  17.246
  757    HB2  ARG  99           HB2      ARG  99  -8.799 -18.057  16.164
  758    HB3  ARG  99           HB3      ARG  99  -9.100 -17.995  17.904
  759    HG2  ARG  99           HG2      ARG  99 -11.160 -18.594  16.830
  760    HG3  ARG  99           HG3      ARG  99 -11.308 -16.973  17.523
  761    HD2  ARG  99           HD2      ARG  99 -12.350 -17.052  15.327
  762    HD3  ARG  99           HD3      ARG  99 -10.940 -15.982  15.284
  763    HE   ARG  99           HE       ARG  99 -10.068 -18.562  14.507
  764   HH11  ARG  99          HH11      ARG  99 -12.240 -16.038  13.333
  765   HH12  ARG  99          HH12      ARG  99 -12.035 -16.476  11.652
  766   HH21  ARG  99          HH21      ARG  99  -9.814 -19.116  12.312
  767   HH22  ARG  99          HH22      ARG  99 -10.658 -18.210  11.077
  768    H    SER 100           H        SER 100  -9.184 -16.075  19.538
  769    HA   SER 100           HA       SER 100  -6.646 -15.034  20.389
  770    HB2  SER 100           HB2      SER 100  -8.930 -16.433  21.825
  771    HB3  SER 100           HB3      SER 100  -7.536 -15.717  22.645
  772    HG   SER 100           HG       SER 100  -9.307 -14.249  22.493
  773    H    ALA 101           H        ALA 101  -7.483 -18.079  19.198
  774    HA   ALA 101           HA       ALA 101  -6.746 -20.199  19.420
  775    HB1  ALA 101           HB1      ALA 101  -4.134 -18.829  20.123
  776    HB2  ALA 101           HB2      ALA 101  -4.326 -20.495  19.536
  777    HB3  ALA 101           HB3      ALA 101  -4.749 -19.131  18.482
  778    H    ALA 102           H        ALA 102  -7.679 -18.686  21.959
  779    HA   ALA 102           HA       ALA 102  -7.111 -20.888  23.807
  780    HB1  ALA 102           HB1      ALA 102  -6.435 -17.993  24.476
  781    HB2  ALA 102           HB2      ALA 102  -6.350 -19.365  25.602
  782    HB3  ALA 102           HB3      ALA 102  -5.260 -19.305  24.204
  783    H    GLU 103           H        GLU 103  -9.402 -19.393  22.280
  784    HA   GLU 103           HA       GLU 103 -10.972 -18.085  24.289
  785    HB2  GLU 103           HB2      GLU 103 -12.731 -18.104  22.575
  786    HB3  GLU 103           HB3      GLU 103 -11.178 -17.536  21.939
  787    HG2  GLU 103           HG2      GLU 103 -10.760 -19.693  20.871
  788    HG3  GLU 103           HG3      GLU 103 -12.192 -20.394  21.636
  789    H    MET 104           H        MET 104 -10.257 -21.324  24.029
  790    HA   MET 104           HA       MET 104 -12.869 -22.152  25.201
  791    HB2  MET 104           HB2      MET 104 -10.682 -23.764  23.845
  792    HB3  MET 104           HB3      MET 104 -12.123 -24.460  24.621
  793    HG2  MET 104           HG2      MET 104 -13.577 -23.208  23.106
  794    HG3  MET 104           HG3      MET 104 -12.178 -22.450  22.338
  795    HE1  MET 104           HE1      MET 104 -10.505 -25.314  20.351
  796    HE2  MET 104           HE2      MET 104 -10.530 -23.579  20.739
  797    HE3  MET 104           HE3      MET 104 -10.072 -24.759  21.985
  798    H    TYR 105           H        TYR 105 -10.117 -20.917  26.324
  799    HA   TYR 105           HA       TYR 105 -10.067 -22.724  28.683
  800    HB2  TYR 105           HB2      TYR 105  -7.643 -21.508  27.326
  801    HB3  TYR 105           HB3      TYR 105  -7.638 -22.547  28.758
  802    HD1  TYR 105           HD1      TYR 105  -8.175 -24.965  28.549
  803    HD2  TYR 105           HD2      TYR 105  -7.891 -22.401  25.115
  804    HE1  TYR 105           HE1      TYR 105  -8.007 -26.963  27.081
  805    HE2  TYR 105           HE2      TYR 105  -7.730 -24.385  23.631
  806    HH   TYR 105           HH       TYR 105  -7.801 -27.731  24.933
  807    H    GLY 106           H        GLY 106 -10.783 -19.694  27.600
  808    HA2  GLY 106           HA2      GLY 106 -11.251 -17.765  28.756
  809    HA3  GLY 106           HA3      GLY 106 -10.680 -18.537  30.247
  810    H5'    U   1           H5'        U   1   3.478  -7.074   9.642
  811   H5''    U   1          H5''        U   1   3.556  -6.096  11.120
  812    H4'    U   1           H4'        U   1   2.637  -4.691   9.453
  813    H3'    U   1           H3'        U   1   1.177  -5.281  11.743
  814    H2'    U   1           H2'        U   1  -0.408  -6.677  10.775
  815   HO2'    U   1          HO2'        U   1  -1.416  -4.387  11.107
  816    H1'    U   1           H1'        U   1  -0.401  -5.179   8.175
  817    H3     U   1           H3         U   1  -2.925  -8.421   6.270
  818    H5     U   1           H5         U   1  -0.662 -10.542   9.103
  819    H6     U   1           H6         U   1   0.415  -8.457   9.715
  820    H5'    U   2           H5'        U   2  -1.212  -0.980  10.219
  821   H5''    U   2          H5''        U   2   0.315  -1.146   9.329
  822    H4'    U   2           H4'        U   2   1.012   1.112  10.119
  823    H3'    U   2           H3'        U   2  -0.723   0.927  12.196
  824    H2'    U   2           H2'        U   2  -2.632   0.460  10.805
  825   HO2'    U   2          HO2'        U   2  -2.570   3.238  11.412
  826    H1'    U   2           H1'        U   2  -1.885   2.871   9.144
  827    H3     U   2           H3         U   2  -5.138   2.388   6.126
  828    H5     U   2           H5         U   2  -4.603  -1.546   7.504
  829    H6     U   2           H6         U   2  -2.865  -0.740   8.973
  830    H5'    U   3           H5'        U   3   2.648   2.083  10.520
  831   H5''    U   3          H5''        U   3   3.565   2.613  11.942
  832    H4'    U   3           H4'        U   3   4.932   3.135  10.101
  833    H3'    U   3           H3'        U   3   4.117   5.163  11.758
  834    H2'    U   3           H2'        U   3   2.330   5.952  10.428
  835   HO2'    U   3          HO2'        U   3   4.299   7.532  10.437
  836    H1'    U   3           H1'        U   3   3.924   5.594   7.898
  837    H3     U   3           H3         U   3   0.449   6.411   5.225
  838    H5     U   3           H5         U   3  -1.397   4.817   8.662
  839    H6     U   3           H6         U   3   0.795   4.555   9.641
  840    H5'    U   4           H5'        U   4   8.196   4.885   9.795
  841   H5''    U   4          H5''        U   4   9.273   5.602  10.997
  842    H4'    U   4           H4'        U   4  10.289   5.372   8.721
  843    H3'    U   4           H3'        U   4  10.686   7.457  10.458
  844    H2'    U   4           H2'        U   4   8.916   8.815   9.581
  845   HO2'    U   4          HO2'        U   4  10.000  10.410   8.236
  846    H1'    U   4           H1'        U   4   9.837   8.124   6.787
  847    H3     U   4           H3         U   4   6.870  11.515   5.907
  848    H5     U   4           H5         U   4   4.539   8.400   7.488
  849    H6     U   4           H6         U   4   6.578   7.233   8.056
  850    H5'    C   5           H5'        C   5  13.635   9.219   9.450
  851   H5''    C   5          H5''        C   5  15.160   8.309   9.335
  852    H4'    C   5           H4'        C   5  14.036   9.382  11.956
  853    H3'    C   5           H3'        C   5  14.930  11.032   9.931
  854    H2'    C   5           H2'        C   5  17.038   9.903   9.709
  855   HO2'    C   5          HO2'        C   5  18.573  11.309  10.647
  856    H1'    C   5           H1'        C   5  17.107   9.921  12.738
  857    H41    C   5           H41        C   5  21.791   5.803  10.389
  858    H42    C   5           H42        C   5  22.569   6.712  11.678
  859    H5     C   5           H5         C   5  21.424   8.480  12.927
  860    H6     C   5           H6         C   5  19.334   9.685  13.159